data_1wg4_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 1wg4 _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 ' 16' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.502 0.191 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.55 178.13 6.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 110.314 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.405 ' CG2' HG23 ' A' ' 55' ' ' VAL . 14.7 m -139.12 123.06 19.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.239 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 20.3 mt -83.59 126.5 32.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.46 HG12 ' CD1' ' A' ' 85' ' ' ILE . 40.4 t -114.05 128.17 71.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 109.261 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -135.76 148.37 48.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.049 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 51' ' ' GLY . . . 95.42 30.99 7.77 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.506 1.129 . . . . 0.0 111.006 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.409 HD22 ' CD2' ' A' ' 75' ' ' PHE . 2.9 mt -77.3 157.59 80.47 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.51 0.77 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 169.55 22.35 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.485 1.782 . . . . 0.0 111.011 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -13.91 21.37 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.453 1.765 . . . . 0.0 110.977 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.4 m -111.82 -10.25 14.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.002 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -52.47 147.67 13.45 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.478 1.111 . . . . 0.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 78.8 p -127.62 -177.87 4.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 0.787 . . . . 0.0 109.991 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.524 ' CZ3' ' HG2' ' A' ' 30' ' ' GLN . 44.7 p-90 -92.2 -31.14 15.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 107.977 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.524 ' HG2' ' CZ3' ' A' ' 29' ' ' TRP . 91.4 mt-30 -56.76 -64.11 0.98 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.473 1.108 . . . . 0.0 110.313 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.09 -43.05 95.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.249 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.47 ' C ' ' CD2' ' A' ' 32' ' ' LEU . 2.2 tt -52.28 -51.25 59.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.502 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 4.8 tttt -56.23 -62.2 1.87 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.142 . . . . 0.0 109.322 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -41.27 -28.47 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.418 ' N ' ' O ' ' A' ' 33' ' ' LYS . 4.7 t60 -83.93 -61.31 1.85 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.574 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.428 ' C ' ' N ' ' A' ' 38' ' ' GLU . 27.6 mmm -50.6 -39.46 49.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 110.981 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.502 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 1.4 mmm180 -43.91 -24.81 0.16 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 110.306 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.49 ' C ' ' O ' ' A' ' 37' ' ' ARG . 5.2 mm-40 -31.65 -40.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.299 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.569 ' HA ' ' CD1' ' A' ' 65' ' ' TYR . . . -64.82 -81.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -142.11 -119.0 1.44 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.442 1.089 . . . . 0.0 110.966 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.41 ' O ' ' CD1' ' A' ' 58' ' ' LEU . 8.1 t0 -106.82 134.56 49.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 0.756 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.469 ' CG1' HG11 ' A' ' 55' ' ' VAL . 15.6 t -100.35 119.16 48.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 23.2 p -92.35 -24.86 18.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 108.29 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.568 ' CD1' ' HE2' ' A' ' 54' ' ' MET . 17.1 t80 -131.16 136.64 48.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 110.99 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -152.2 111.85 3.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -139.3 153.23 47.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.341 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 14.7 p -141.85 143.83 26.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -124.76 170.3 11.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.322 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.99 -171.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 73.46 -59.68 0.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.427 ' O ' ' N ' ' A' ' 22' ' ' GLY . . . 141.0 45.19 0.06 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.5 1.125 . . . . 0.0 110.955 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -119.84 160.99 21.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 0.775 . . . . 0.0 110.981 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -154.47 173.33 32.96 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.469 1.106 . . . . 0.0 110.99 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.568 ' HE2' ' CD1' ' A' ' 44' ' ' TYR . 2.6 ttp -155.08 133.53 11.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.543 0.79 . . . . 0.0 110.937 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.469 HG11 ' CG1' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -139.18 141.15 36.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.266 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.431 ' CG ' ' HE3' ' A' ' 54' ' ' MET . 3.0 mt-10 -121.44 135.17 55.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 110.315 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.492 ' CZ ' ' HB1' ' A' ' 39' ' ' ALA . 38.4 m-85 -104.46 168.67 8.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.568 1.168 . . . . 0.0 111.009 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.41 ' CD1' ' O ' ' A' ' 41' ' ' ASP . 3.7 mp -96.82 -17.67 20.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 32.7 mmt180 -122.09 145.5 48.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.338 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 32.8 tttt -63.29 -55.11 27.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.36 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -43.24 -50.92 6.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.335 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.405 ' O ' ' HB3' ' A' ' 39' ' ' ALA . 87.9 m-20 -44.15 -51.77 7.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.25 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.468 ' HG2' ' CD1' ' A' ' 67' ' ' LEU . 9.8 ttp -51.64 -67.16 0.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.989 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -53.69 -46.39 70.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.113 . . . . 0.0 110.24 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.569 ' CD1' ' HA ' ' A' ' 39' ' ' ALA . 28.7 t80 -50.09 -66.03 0.46 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 111.019 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.409 ' O ' ' HB2' ' A' ' 70' ' ' LEU . . . -57.79 -38.08 74.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.468 ' CD1' ' HG2' ' A' ' 63' ' ' MET . 19.7 mt -50.87 -58.1 6.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.258 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.455 ' O ' ' C ' ' A' ' 69' ' ' LYS . 7.2 mmt180 -72.9 -66.33 0.68 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.284 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.455 ' C ' ' O ' ' A' ' 68' ' ' ARG . 13.9 mptt -35.56 -61.1 0.47 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.635 ' O ' ' C ' ' A' ' 71' ' ' ASP . 21.2 mt -66.22 -62.09 1.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.259 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.635 ' C ' ' O ' ' A' ' 70' ' ' LEU . 34.0 t70 17.96 88.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 44.3 t0 63.96 106.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.429 1.081 . . . . 0.0 109.281 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.47 ' CG2' ' O ' ' A' ' 70' ' ' LEU . 5.4 p -140.46 170.2 16.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 0.0 110.407 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 21.9 tttt -95.72 99.3 11.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.455 ' CE1' ' HA ' ' A' ' 32' ' ' LEU . 44.6 t80 -89.48 129.64 35.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.942 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.6 ttt180 -98.83 121.42 40.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 110.294 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 52.7 p -72.87 178.51 4.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 110.017 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -79.08 -6.6 56.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.587 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -104.28 12.65 33.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 0.0 110.317 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 87.8 -41.57 3.08 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.559 1.162 . . . . 0.0 111.032 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -43.46 165.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 0.75 . . . . 0.0 110.288 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 67.8 p -141.5 165.9 26.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.399 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 37.6 m -162.38 153.85 18.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.998 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -89.27 106.84 18.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.991 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.46 ' CD1' HG12 ' A' ' 20' ' ' VAL . 4.2 pt -105.94 129.57 58.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -90.9 152.01 20.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.255 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.8 t -118.25 113.44 42.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.426 ' CD1' ' N ' ' A' ' 88' ' ' TYR . 11.0 p90 -144.89 159.61 49.6 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.977 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 178.12 7.7 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.519 1.8 . . . . 0.0 110.99 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 -179.992 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.53 0.205 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.446 ' NH1' ' OE1' ' A' ' 90' ' ' GLU . 0.1 OUTLIER -139.18 177.85 7.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.27 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.455 ' CG1' ' HG ' ' A' ' 67' ' ' LEU . 29.8 m -136.47 126.12 38.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.263 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.6 mt -84.76 123.88 30.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.299 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 92.4 t -107.11 137.23 39.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -146.53 152.65 39.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.988 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 87.53 34.88 9.84 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.459 1.099 . . . . 0.0 111.013 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.2 mt -81.0 157.46 71.32 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.514 0.773 . . . . 0.0 109.314 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 170.83 19.55 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.502 1.791 . . . . 0.0 111.009 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -12.05 21.51 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.471 1.774 . . . . 0.0 110.975 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.8 p -113.71 -8.48 13.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.565 1.165 . . . . 0.0 109.982 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -50.24 145.85 9.03 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.471 1.107 . . . . 0.0 110.992 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.8 m -128.1 -177.49 4.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 0.763 . . . . 0.0 110.001 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.632 ' CH2' ' NE2' ' A' ' 30' ' ' GLN . 62.1 p-90 -90.96 -41.75 10.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 108.03 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.632 ' NE2' ' CH2' ' A' ' 29' ' ' TRP . 10.6 mm-40 -48.54 -71.62 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 110.312 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.73 -43.14 65.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.426 ' C ' ' CD2' ' A' ' 32' ' ' LEU . 3.5 tt -52.26 -54.0 36.83 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.482 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 7.2 ttpt -55.35 -59.98 4.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -42.1 -27.34 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.42 ' N ' ' C ' ' A' ' 33' ' ' LYS . 4.1 t60 -86.42 -56.55 3.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.644 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.444 ' C ' ' N ' ' A' ' 38' ' ' GLU . 28.4 mmm -55.8 -40.19 72.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 111.031 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.486 ' O ' ' C ' ' A' ' 38' ' ' GLU . 7.0 mmm-85 -41.08 -26.61 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.325 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.486 ' C ' ' O ' ' A' ' 37' ' ' ARG . 0.4 OUTLIER -31.74 -40.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.299 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.565 ' HA ' ' CD1' ' A' ' 65' ' ' TYR . . . -60.82 -80.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -147.61 -108.87 0.53 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.477 1.111 . . . . 0.0 111.02 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -114.53 129.73 56.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 0.749 . . . . 0.0 109.287 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.461 ' CG1' HG12 ' A' ' 55' ' ' VAL . 7.9 t -101.36 119.75 49.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 10.7 t -95.52 -29.26 14.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 108.286 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.57 ' CD1' ' HE3' ' A' ' 54' ' ' MET . 6.7 t80 -125.66 132.16 52.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -152.14 114.22 4.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -135.95 155.78 49.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.294 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 10.9 p -142.18 140.87 29.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -123.45 170.64 10.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.32 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.12 -172.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 74.16 -58.94 0.57 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 139.79 44.75 0.07 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -117.71 161.21 20.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 0.788 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -154.93 169.7 33.09 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.454 1.097 . . . . 0.0 111.001 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.57 ' HE3' ' CD1' ' A' ' 44' ' ' TYR . 1.2 ttp -154.8 127.57 8.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 0.785 . . . . 0.0 110.987 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.461 HG12 ' CG1' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -135.75 138.24 48.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 109.319 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.47 ' OE1' ' CB ' ' A' ' 44' ' ' TYR . 40.9 mt-10 -111.99 149.15 32.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.345 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.561 ' CD2' ' HA ' ' A' ' 63' ' ' MET . 44.4 m-85 -121.14 146.41 46.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 110.963 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -83.6 -5.22 59.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 109.269 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 9.7 mmt180 -129.67 133.27 47.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 110.278 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 75.0 tttt -57.41 -53.07 62.33 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -48.62 -55.53 10.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.155 . . . . 0.0 110.336 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.415 ' O ' ' HB3' ' A' ' 39' ' ' ALA . 81.6 m-20 -40.06 -53.04 2.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.561 ' HA ' ' CD2' ' A' ' 57' ' ' TYR . 17.0 ttp -49.25 -61.96 1.8 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 111.023 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -59.36 -45.27 91.89 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 110.276 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.565 ' CD1' ' HA ' ' A' ' 39' ' ' ALA . 18.0 t80 -50.47 -62.04 1.83 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 111.001 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.415 ' O ' ' HB2' ' A' ' 70' ' ' LEU . . . -60.08 -38.29 82.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.455 ' HG ' ' CG1' ' A' ' 18' ' ' VAL . 18.7 mt -51.77 -56.18 15.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.453 ' O ' ' C ' ' A' ' 69' ' ' LYS . 11.2 mmt180 -72.97 -66.92 0.61 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 110.288 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 68' ' ' ARG . 9.9 mptt -35.93 -60.79 0.52 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.633 ' O ' ' C ' ' A' ' 71' ' ' ASP . 20.5 mt -65.78 -62.68 1.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 109.27 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.633 ' C ' ' O ' ' A' ' 70' ' ' LEU . 36.1 t0 18.46 90.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.3 t70 60.86 106.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.476 ' CG2' ' O ' ' A' ' 70' ' ' LEU . 3.0 p -138.2 178.03 7.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 110.391 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -101.93 99.2 9.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 109.257 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -83.57 149.35 26.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 111.02 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 45.3 ttp85 -123.64 114.99 20.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 74.8 p -72.02 173.89 7.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.966 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.534 ' O ' ' CD2' ' A' ' 78' ' ' HIS . 2.2 t60 -72.5 -15.29 61.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.611 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -96.18 5.35 51.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.304 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 92.91 -41.48 2.72 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.493 1.12 . . . . 0.0 111.044 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -38.81 139.32 0.45 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 0.781 . . . . 0.0 110.251 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 77.6 p -124.11 155.12 38.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 110.379 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 83.0 p -156.08 164.15 38.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.035 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -96.92 109.13 21.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.093 . . . . 0.0 110.974 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 5.9 pt -107.89 130.37 60.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.127 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.64 152.23 20.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.269 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.0 t -117.25 115.86 50.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.422 ' CD1' ' N ' ' A' ' 88' ' ' TYR . 10.9 p90 -146.37 158.01 48.0 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.122 . . . . 0.0 110.933 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 178.65 6.99 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.498 1.788 . . . . 0.0 111.013 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.446 ' OE1' ' NH1' ' A' ' 17' ' ' ARG . 1.4 tt0 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.112 . . . . 0.0 110.29 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.531 0.205 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.57 177.7 7.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 110.268 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.461 ' CG2' HG22 ' A' ' 55' ' ' VAL . 27.8 m -137.93 124.8 27.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.0 mt -83.67 128.04 34.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 70.4 t -112.26 135.96 49.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.342 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 75.1 p -143.34 138.99 29.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.957 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 99.23 51.0 1.38 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.522 1.139 . . . . 0.0 111.021 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.444 ' HG ' ' CG2' ' A' ' 85' ' ' ILE . 1.7 mt -100.38 157.22 34.18 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.505 0.767 . . . . 0.0 109.273 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.411 ' CG ' ' HB3' ' A' ' 77' ' ' SER . 18.4 Cg_endo -75.0 168.17 25.43 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.463 1.77 . . . . 0.0 111.039 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -12.97 21.55 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.482 1.78 . . . . 0.0 111.024 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.7 m -109.89 -14.41 14.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.021 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -47.33 155.57 0.92 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.461 1.101 . . . . 0.0 111.009 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 45.6 m -134.67 174.64 10.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 0.779 . . . . 0.0 109.991 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.525 ' CH2' ' CG ' ' A' ' 30' ' ' GLN . 56.4 p-90 -81.41 -42.77 19.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 108.01 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.525 ' CG ' ' CH2' ' A' ' 29' ' ' TRP . 29.1 mt-30 -48.79 -72.37 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.06 -42.53 60.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.531 ' C ' ' CD2' ' A' ' 32' ' ' LEU . 0.8 OUTLIER -53.12 -48.4 67.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' A' ' 36' ' ' MET . 21.8 ttpt -59.64 -59.2 5.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.405 ' HA ' ' HG3' ' A' ' 37' ' ' ARG . 1.2 m-20 -40.18 -29.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.434 ' N ' ' O ' ' A' ' 33' ' ' LYS . 5.7 t60 -83.0 -47.88 11.25 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.419 1.074 . . . . 0.0 109.6 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.468 ' N ' ' O ' ' A' ' 33' ' ' LYS . 29.8 mmm -62.87 -41.36 99.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.966 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.485 ' O ' ' C ' ' A' ' 38' ' ' GLU . 14.5 mtm180 -40.66 -26.96 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.283 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.485 ' C ' ' O ' ' A' ' 37' ' ' ARG . 0.4 OUTLIER -31.0 -40.61 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.299 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.587 ' HA ' ' CD1' ' A' ' 65' ' ' TYR . . . -63.88 -81.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -147.15 -115.86 0.9 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.505 1.128 . . . . 0.0 111.031 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -105.5 134.85 47.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 0.748 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.445 ' CG1' HG11 ' A' ' 55' ' ' VAL . 2.8 t -103.95 126.36 58.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 4.5 t -99.26 -32.84 11.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 108.306 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.423 ' CD1' ' HE3' ' A' ' 54' ' ' MET . 14.8 t80 -121.02 140.04 52.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -151.61 113.14 4.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -140.8 148.44 40.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.419 1.074 . . . . 0.0 109.292 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.0 p -131.2 137.73 54.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -105.97 164.43 11.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.288 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.462 ' O ' ' CB ' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -67.93 175.89 2.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 109.338 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.462 ' CB ' ' O ' ' A' ' 49' ' ' LYS . 8.2 t70 79.53 -58.04 0.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.269 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 151.36 44.29 0.02 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.49 1.119 . . . . 0.0 111.006 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -111.56 158.62 19.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 0.767 . . . . 0.0 110.992 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -148.69 158.1 27.54 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.484 1.115 . . . . 0.0 110.966 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.521 ' CE ' ' CG ' ' A' ' 56' ' ' GLU . 0.4 OUTLIER -150.04 132.28 15.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 0.746 . . . . 0.0 110.973 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.461 HG22 ' CG2' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -141.58 138.4 32.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 109.29 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.521 ' CG ' ' CE ' ' A' ' 54' ' ' MET . 9.5 mt-10 -117.82 123.36 45.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.097 . . . . 0.0 110.311 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.575 ' CD2' ' HA ' ' A' ' 63' ' ' MET . 51.1 m-85 -91.11 162.54 14.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 110.941 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -83.25 -38.78 21.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.432 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 11.0 mmp_? -99.81 -174.42 2.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 110.297 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 44.9 tttt -99.5 -57.95 2.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -43.58 -50.32 7.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.288 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' A' ' 59' ' ' ARG . 2.2 p30 -45.92 -48.84 16.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.575 ' HA ' ' CD2' ' A' ' 57' ' ' TYR . 26.6 ttp -56.07 -65.94 0.51 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 111.042 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -52.27 -45.61 65.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.313 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.587 ' CD1' ' HA ' ' A' ' 39' ' ' ALA . 17.9 t80 -50.41 -61.8 1.97 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 110.972 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.482 ' CB ' ' HB1' ' A' ' 39' ' ' ALA . . . -59.98 -38.87 83.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.457 ' HG ' ' CG1' ' A' ' 18' ' ' VAL . 19.7 mt -51.59 -55.3 20.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.466 ' O ' ' C ' ' A' ' 69' ' ' LYS . 26.3 mmt85 -73.86 -67.89 0.56 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.466 ' C ' ' O ' ' A' ' 68' ' ' ARG . 9.6 mptt -35.27 -59.5 0.52 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.345 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.655 ' O ' ' C ' ' A' ' 71' ' ' ASP . 17.0 mt -66.7 -61.27 2.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.344 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.655 ' C ' ' O ' ' A' ' 70' ' ' LEU . 27.0 t70 15.04 80.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.407 ' CB ' ' O ' ' A' ' 71' ' ' ASP . 7.5 t0 75.04 100.86 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.334 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.451 ' CG2' ' HA ' ' A' ' 70' ' ' LEU . 17.2 p -133.66 168.35 18.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 110.405 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.1 tttt -97.15 100.82 12.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.489 ' CE1' ' HA ' ' A' ' 32' ' ' LEU . 54.2 t80 -88.77 127.28 35.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.565 1.165 . . . . 0.0 111.007 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 28.5 ttp180 -96.65 114.03 25.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.33 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.411 ' HB3' ' CG ' ' A' ' 24' ' ' PRO . 46.7 p -65.59 159.03 25.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 110.001 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -62.43 -15.47 49.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.632 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -94.55 5.78 50.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.271 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 94.22 -39.81 2.85 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.477 1.11 . . . . 0.0 110.997 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -43.29 136.73 2.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 0.752 . . . . 0.0 110.293 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.9 p -114.24 143.38 44.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.39 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 60.1 m -145.96 161.33 40.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 110.003 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -98.06 120.25 38.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 0.0 110.998 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.444 ' CG2' ' HG ' ' A' ' 23' ' ' LEU . 4.8 pt -114.3 130.15 69.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.29 144.76 25.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.323 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.44 HG12 ' CD2' ' A' ' 67' ' ' LEU . 2.0 t -114.47 120.1 63.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.26 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 24.0 p90 -151.12 156.8 35.39 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 171.31 18.57 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.462 1.77 . . . . 0.0 110.994 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.317 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.409 ' CA ' ' SD ' ' A' ' 63' ' ' MET . 37.9 m-85 . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.496 0.189 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.416 ' HB3' ' CG ' ' A' ' 56' ' ' GLU . 4.1 ptp180 -116.83 177.34 4.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.33 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.448 ' CG2' HG21 ' A' ' 55' ' ' VAL . 14.6 m -134.48 124.82 45.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 13.6 mt -82.79 127.54 33.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.423 HG11 ' CD1' ' A' ' 23' ' ' LEU . 12.9 t -114.15 134.36 57.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 9.0 p -141.83 153.22 44.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.036 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 51' ' ' GLY . . . 87.99 40.57 6.58 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.543 1.152 . . . . 0.0 111.007 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.508 HD23 ' CD2' ' A' ' 75' ' ' PHE . 3.7 mt -90.73 158.41 42.46 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.489 0.758 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 171.01 19.15 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.51 1.795 . . . . 0.0 110.993 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -21.79 15.47 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.498 1.788 . . . . 0.0 111.024 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.5 m -104.63 -8.63 18.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.015 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -57.36 136.78 50.27 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.516 1.135 . . . . 0.0 110.977 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.4 m -114.4 177.04 4.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 0.773 . . . . 0.0 109.981 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.532 ' HB3' ' CG2' ' A' ' 47' ' ' VAL . 51.1 p-90 -84.34 -36.56 22.44 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.447 ' HG3' ' CZ3' ' A' ' 29' ' ' TRP . 52.0 mt-30 -50.38 -73.21 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 110.295 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -49.67 -39.24 35.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 109.263 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.517 ' C ' ' CD2' ' A' ' 32' ' ' LEU . 0.9 OUTLIER -57.01 -48.99 77.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.501 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 9.6 ttpt -57.79 -56.08 26.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -47.51 -23.84 0.72 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -88.81 -48.62 7.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 109.597 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.443 ' C ' ' N ' ' A' ' 38' ' ' GLU . 28.3 mmm -63.51 -40.54 97.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 111.004 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.501 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 1.4 mtm180 -42.21 -25.56 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 110.3 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.493 ' C ' ' O ' ' A' ' 37' ' ' ARG . 0.4 OUTLIER -31.22 -40.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 110.295 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.578 ' HA ' ' CD1' ' A' ' 65' ' ' TYR . . . -63.35 -83.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -140.31 -122.74 1.94 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.499 1.124 . . . . 0.0 110.997 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -107.12 130.26 54.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 0.735 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.5 t -90.78 133.44 32.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 22.8 t -99.32 -32.13 11.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 108.317 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -140.92 139.72 34.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 111.014 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -144.01 128.15 17.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -144.17 161.64 38.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.532 ' CG2' ' HB3' ' A' ' 29' ' ' TRP . 0.9 OUTLIER -133.69 152.32 34.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.328 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -124.43 162.52 23.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.298 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.402 ' O ' ' CB ' ' A' ' 50' ' ' ASP . 2.2 pttp -65.89 178.08 1.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.402 ' CB ' ' O ' ' A' ' 49' ' ' LYS . 0.9 OUTLIER 75.03 -57.89 0.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 22' ' ' GLY . . . 149.36 44.4 0.03 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.531 1.144 . . . . 0.0 111.008 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -113.66 160.93 18.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 0.774 . . . . 0.0 110.982 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -152.16 167.06 31.19 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.475 1.11 . . . . 0.0 110.977 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -152.01 136.22 16.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 0.76 . . . . 0.0 110.979 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.448 HG21 ' CG2' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -142.07 130.92 22.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.416 ' CG ' ' HB3' ' A' ' 17' ' ' ARG . 1.4 mt-10 -110.52 113.24 25.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.297 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.518 ' CZ ' ' HB2' ' A' ' 39' ' ' ALA . 25.1 m-85 -82.01 176.28 9.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 111.003 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 13.0 mt -105.54 -11.87 16.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 16.1 mmm180 -129.51 144.42 51.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 110.338 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 20.3 tttp -67.43 -53.45 28.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.239 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -48.49 -38.12 19.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.265 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.403 ' O ' ' HB1' ' A' ' 39' ' ' ALA . 56.0 m-20 -59.6 -45.42 91.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.425 ' HA ' ' CD2' ' A' ' 57' ' ' TYR . 9.4 ttp -54.91 -60.58 3.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 111.033 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -56.76 -45.28 82.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.341 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.578 ' CD1' ' HA ' ' A' ' 39' ' ' ALA . 18.2 t80 -51.03 -62.16 1.79 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.978 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.413 ' O ' ' HB2' ' A' ' 70' ' ' LEU . . . -59.73 -39.79 85.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.582 1.176 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 18.5 mt -51.03 -55.46 17.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.465 ' O ' ' C ' ' A' ' 69' ' ' LYS . 22.0 mmm180 -73.12 -68.4 0.49 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.267 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.465 ' C ' ' O ' ' A' ' 68' ' ' ARG . 1.1 mptp? -34.97 -60.65 0.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.083 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.658 ' O ' ' C ' ' A' ' 71' ' ' ASP . 20.4 mt -65.36 -62.06 1.75 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.262 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.658 ' C ' ' O ' ' A' ' 70' ' ' LEU . 29.1 t70 15.97 86.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.405 ' OD1' ' CD2' ' A' ' 84' ' ' TYR . 7.6 t0 68.77 104.49 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.409 ' CG2' ' O ' ' A' ' 70' ' ' LEU . 9.9 p -136.69 171.45 14.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 110.398 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.1 tttt -99.0 99.48 10.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.508 ' CD2' HD23 ' A' ' 23' ' ' LEU . 50.1 t80 -87.08 127.88 35.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.113 . . . . 0.0 111.004 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 21.9 ttp180 -99.87 111.83 24.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.427 1.08 . . . . 0.0 110.308 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 23.7 p -64.06 159.73 19.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.581 1.176 . . . . 0.0 109.963 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -61.46 -18.04 57.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.608 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -87.51 -3.03 59.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 98.66 -29.92 10.66 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.527 1.142 . . . . 0.0 110.955 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -49.12 156.06 0.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 0.785 . . . . 0.0 110.319 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.0 p -125.24 157.41 36.61 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 110.425 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 38.1 m -163.5 152.48 14.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.029 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.405 ' CD2' ' OD1' ' A' ' 72' ' ' ASP . 0.1 OUTLIER -94.35 111.43 23.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.962 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 12.0 pt -109.89 132.84 57.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.277 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.22 152.57 19.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.349 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.9 t -117.86 114.36 45.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.444 1.09 . . . . 0.0 109.32 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.415 ' CD1' ' N ' ' A' ' 88' ' ' TYR . 12.4 p90 -144.84 156.68 55.58 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -177.09 3.23 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.476 1.777 . . . . 0.0 110.984 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 110.313 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.487 ' CE2' ' HB2' ' A' ' 60' ' ' LYS . 53.2 m-85 . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.525 0.202 . . . . 0.0 110.987 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.3 ptp85 -129.06 177.71 6.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.319 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.464 ' CG1' ' HG ' ' A' ' 67' ' ' LEU . 21.2 m -132.74 122.97 48.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.528 ' O ' ' CD1' ' A' ' 88' ' ' TYR . 7.6 mt -82.48 124.25 29.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.272 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.435 ' O ' ' N ' ' A' ' 53' ' ' GLY . 79.6 t -110.07 140.26 29.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 93.3 p -149.03 129.06 13.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.97 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.414 ' O ' ' CG2' ' A' ' 85' ' ' ILE . . . 110.78 48.37 0.74 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.497 1.123 . . . . 0.0 111.025 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.51 ' CD1' ' O ' ' A' ' 51' ' ' GLY . 5.4 mt -91.79 157.46 41.55 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.507 0.769 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 170.15 21.05 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.513 1.796 . . . . 0.0 110.974 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -13.26 21.38 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.529 1.805 . . . . 0.0 111.03 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.407 ' CB ' ' HB2' ' A' ' 79' ' ' GLU . 42.0 p -113.94 -12.52 12.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 109.995 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -51.28 158.02 2.54 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.502 1.126 . . . . 0.0 111.019 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 58.7 m -141.21 173.37 11.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 0.75 . . . . 0.0 110.001 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.569 ' CZ2' ' HG3' ' A' ' 30' ' ' GLN . 47.3 p-90 -77.52 -44.62 28.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 108.018 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.569 ' HG3' ' CZ2' ' A' ' 29' ' ' TRP . 47.2 mt-30 -45.95 -73.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.327 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.423 ' HB3' ' CE1' ' A' ' 75' ' ' PHE . 0.5 OUTLIER -49.93 -47.85 52.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.26 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.574 ' HA ' ' CE1' ' A' ' 75' ' ' PHE . 1.0 OUTLIER -47.45 -48.2 26.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.492 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 12.8 ttpt -56.62 -60.54 3.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -40.72 -29.09 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.428 ' N ' ' O ' ' A' ' 33' ' ' LYS . 4.4 t60 -84.77 -60.03 2.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.581 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.424 ' C ' ' N ' ' A' ' 38' ' ' GLU . 27.2 mmm -51.52 -38.32 53.54 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.097 . . . . 0.0 111.013 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.492 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 6.6 mmm180 -44.2 -25.01 0.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 110.288 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.476 ' C ' ' O ' ' A' ' 37' ' ' ARG . 3.4 mm-40 -32.04 -40.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.298 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.582 ' HA ' ' CD1' ' A' ' 65' ' ' TYR . . . -61.19 -82.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -142.74 -106.17 0.57 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.453 1.096 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -120.37 131.24 54.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 0.762 . . . . 0.0 109.325 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 9.8 t -96.47 119.14 44.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 19.3 t -88.26 -20.28 25.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 108.306 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 52.4 t80 -150.39 141.75 23.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.983 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -151.35 114.87 4.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -131.5 167.22 19.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 52.0 t -142.01 143.2 27.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -118.69 166.36 12.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.56 ' O ' ' CB ' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -62.55 165.74 5.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.166 . . . . 0.0 109.287 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.56 ' CB ' ' O ' ' A' ' 49' ' ' LYS . 3.0 t0 88.02 -37.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.51 ' O ' ' CD1' ' A' ' 23' ' ' LEU . . . 130.32 -1.65 5.73 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.523 1.139 . . . . 0.0 111.027 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.19 161.48 13.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.566 0.804 . . . . 0.0 111.059 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -154.23 163.74 31.17 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.447 1.092 . . . . 0.0 110.955 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.9 131.99 16.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 0.742 . . . . 0.0 111.01 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.449 HG22 ' CG2' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -143.7 132.97 20.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -103.35 157.54 16.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 110.273 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.535 ' CD2' ' HA ' ' A' ' 63' ' ' MET . 25.8 m-85 -130.38 146.44 51.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.986 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -86.58 9.79 17.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.353 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 19.9 mmt180 -146.2 127.46 14.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 110.296 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.487 ' HB2' ' CE2' ' A' ' 16' ' ' PHE . 81.0 tttt -57.93 -57.02 14.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -48.78 -47.7 41.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.329 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -53.93 -37.1 63.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.329 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.535 ' HA ' ' CD2' ' A' ' 57' ' ' TYR . 0.1 OUTLIER -59.51 -53.86 53.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 111.009 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.4 ' O ' ' HB2' ' A' ' 67' ' ' LEU . 25.3 mt-10 -64.94 -40.3 94.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.582 ' CD1' ' HA ' ' A' ' 39' ' ' ALA . 20.3 t80 -50.12 -63.4 1.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.973 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.418 ' O ' ' HB2' ' A' ' 70' ' ' LEU . . . -58.93 -38.47 79.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.464 ' HG ' ' CG1' ' A' ' 18' ' ' VAL . 19.6 mt -51.32 -56.98 10.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.461 ' O ' ' C ' ' A' ' 69' ' ' LYS . 3.2 mmt180 -72.86 -66.89 0.61 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.299 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.461 ' C ' ' O ' ' A' ' 68' ' ' ARG . 13.3 mptt -35.5 -60.73 0.49 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.648 ' O ' ' C ' ' A' ' 71' ' ' ASP . 19.2 mt -65.65 -62.08 1.72 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.648 ' C ' ' O ' ' A' ' 70' ' ' LEU . 38.5 t70 15.91 76.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.327 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.451 ' CB ' ' O ' ' A' ' 71' ' ' ASP . 9.1 t0 78.82 102.63 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.462 ' CG2' ' HA ' ' A' ' 70' ' ' LEU . 20.3 p -138.96 166.86 23.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.373 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.5 tttt -94.57 105.86 17.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.574 ' CE1' ' HA ' ' A' ' 32' ' ' LEU . 35.5 t80 -93.87 127.9 39.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.992 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.8 ttp180 -94.63 118.13 31.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 110.287 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 84.3 p -70.38 167.54 17.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 110.038 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.572 ' O ' ' CD2' ' A' ' 78' ' ' HIS . 1.1 t60 -69.21 -14.47 62.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.441 1.088 . . . . 0.0 109.58 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.407 ' HB2' ' CB ' ' A' ' 26' ' ' SER . 1.0 OUTLIER -94.28 -3.56 50.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.283 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 103.71 -38.83 3.05 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.506 1.129 . . . . 0.0 110.983 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -41.89 159.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 0.773 . . . . 0.0 110.299 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 23.6 p -137.38 156.77 47.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.372 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 51.4 p -160.47 162.28 33.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.007 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -95.38 112.37 24.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 110.957 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.414 ' CG2' ' O ' ' A' ' 22' ' ' GLY . 6.5 pt -106.63 130.72 58.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.59 153.8 20.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.268 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.2 t -124.29 116.85 48.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.528 ' CD1' ' O ' ' A' ' 19' ' ' LEU . 13.7 p90 -145.45 157.83 51.77 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 166.63 28.81 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.469 1.773 . . . . 0.0 111.007 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.317 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.565 ' CD1' ' HG3' ' A' ' 60' ' ' LYS . 42.2 m-85 . . . . . 0 N--CA 1.454 -0.266 0 CA-C-O 120.461 0.172 . . . . 0.0 110.947 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.464 ' HD2' ' CD1' ' A' ' 19' ' ' LEU . 0.1 OUTLIER -128.59 177.97 6.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.165 . . . . 0.0 110.271 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.465 ' CG1' ' HG ' ' A' ' 67' ' ' LEU . 27.8 m -139.3 124.8 21.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 109.293 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.496 HD22 ' CB ' ' A' ' 90' ' ' GLU . 1.1 mm? -84.46 128.7 34.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.271 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.451 ' CG1' HD11 ' A' ' 85' ' ' ILE . 62.4 t -115.57 134.7 57.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -142.9 149.97 39.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 110.009 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 51' ' ' GLY . . . 91.01 47.35 3.64 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.453 1.096 . . . . 0.0 111.065 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.457 ' HG ' ' CG2' ' A' ' 85' ' ' ILE . 1.5 mt -94.74 157.05 37.55 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.509 0.77 . . . . 0.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 172.04 17.14 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.49 1.784 . . . . 0.0 110.956 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -19.3 17.97 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.497 1.788 . . . . 0.0 110.984 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.4 m -105.3 -10.22 17.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.991 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -55.46 144.87 32.69 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.482 1.113 . . . . 0.0 110.992 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.15 -177.42 4.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 0.733 . . . . 0.0 110.028 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.57 ' CH2' ' HG2' ' A' ' 30' ' ' GLN . 39.7 p-90 -88.75 -36.33 16.19 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.57 ' HG2' ' CH2' ' A' ' 29' ' ' TRP . 7.0 mt-30 -47.08 -70.74 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.336 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.37 -50.82 68.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.528 ' C ' ' CD2' ' A' ' 32' ' ' LEU . 0.9 OUTLIER -45.48 -47.14 14.02 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.513 ' O ' ' N ' ' A' ' 36' ' ' MET . 7.5 tttt -55.26 -69.67 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 33' ' ' LYS . 5.9 t0 -39.45 -38.0 0.52 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -68.36 -47.63 66.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.622 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.513 ' N ' ' O ' ' A' ' 33' ' ' LYS . 28.8 mmm -67.7 -41.81 83.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.14 . . . . 0.0 111.011 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.494 ' O ' ' C ' ' A' ' 38' ' ' GLU . 21.5 mtp180 -39.58 -28.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 110.304 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.494 ' C ' ' O ' ' A' ' 37' ' ' ARG . 5.2 mm-40 -31.18 -40.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.322 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.594 ' HA ' ' CD1' ' A' ' 65' ' ' TYR . . . -62.2 -81.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -149.18 -123.15 1.24 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.505 1.128 . . . . 0.0 110.978 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.4 133.62 39.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 0.788 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.44 ' CG2' ' HG2' ' A' ' 37' ' ' ARG . 24.9 t -104.18 116.56 48.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 25.8 p -93.78 -24.14 17.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 108.35 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.566 ' CD1' ' HE2' ' A' ' 54' ' ' MET . 16.1 t80 -129.9 137.46 50.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -152.22 114.43 4.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.265 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -145.34 158.92 43.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 109.329 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.8 p -139.18 140.68 37.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.276 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -109.64 162.28 14.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.32 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.31 -178.37 0.25 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 109.262 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.1 t70 74.22 -58.85 0.57 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.419 ' O ' ' N ' ' A' ' 22' ' ' GLY . . . 149.91 44.14 0.03 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.474 1.109 . . . . 0.0 110.983 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -110.14 166.38 11.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 0.779 . . . . 0.0 111.018 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -158.5 160.62 31.13 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.485 1.115 . . . . 0.0 110.989 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.566 ' HE2' ' CD1' ' A' ' 44' ' ' TYR . 2.0 ttp -153.34 130.83 11.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 0.756 . . . . 0.0 111.009 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.454 HG21 ' CG2' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -138.89 142.46 34.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.34 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.425 ' CG ' ' HE3' ' A' ' 54' ' ' MET . 13.7 mt-10 -117.66 140.36 49.76 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.475 1.109 . . . . 0.0 110.283 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.562 ' CD2' ' HA ' ' A' ' 63' ' ' MET . 43.1 m-85 -111.08 169.49 8.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 111.023 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.6 mp -95.89 -35.97 11.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.115 . . . . 0.0 109.291 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 5.6 mmt-85 -105.29 139.35 40.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.262 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.565 ' HG3' ' CD1' ' A' ' 16' ' ' PHE . 25.1 tttp -58.43 -56.64 19.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.238 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -45.23 -52.68 9.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.301 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -46.81 -37.17 8.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.325 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.562 ' HA ' ' CD2' ' A' ' 57' ' ' TYR . 0.0 OUTLIER -62.91 -67.69 0.4 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 111.019 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.408 ' O ' ' HB2' ' A' ' 67' ' ' LEU . 27.0 mt-10 -52.61 -39.43 61.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 110.312 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.594 ' CD1' ' HA ' ' A' ' 39' ' ' ALA . 34.2 t80 -50.64 -68.51 0.16 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.997 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.481 ' CB ' ' HB2' ' A' ' 39' ' ' ALA . . . -55.79 -38.09 69.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.465 ' HG ' ' CG1' ' A' ' 18' ' ' VAL . 25.4 mt -50.81 -57.96 7.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.332 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.46 ' O ' ' C ' ' A' ' 69' ' ' LYS . 3.0 mmt180 -73.61 -66.38 0.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.298 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.498 ' HD3' ' CD2' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -35.07 -60.0 0.48 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.64 ' O ' ' C ' ' A' ' 71' ' ' ASP . 18.9 mt -67.56 -62.0 1.62 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.64 ' C ' ' O ' ' A' ' 70' ' ' LEU . 38.5 t0 17.0 91.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.7 t0 61.74 106.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.469 ' CG2' ' O ' ' A' ' 70' ' ' LEU . 3.5 p -138.62 171.43 14.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 110.395 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.4 tttt -95.51 99.15 11.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -88.14 136.96 32.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 111.003 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 50.1 ttp180 -114.55 120.06 38.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.286 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 86.3 p -68.93 173.16 5.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.986 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 1.3 p-80 -73.8 -10.9 60.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.602 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -90.81 -9.3 46.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 0.0 110.31 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 104.09 -23.97 30.59 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.481 1.113 . . . . 0.0 110.992 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -52.4 157.4 1.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 0.801 . . . . 0.0 110.302 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.6 p -127.54 147.98 50.33 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 110.367 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 51.1 m -154.33 164.87 37.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.115 . . . . 0.0 110.013 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -105.83 117.16 33.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 0.0 110.997 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.457 ' CG2' ' HG ' ' A' ' 23' ' ' LEU . 14.3 pt -114.87 133.12 62.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.55 158.06 15.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 110.272 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.2 t -127.3 120.14 54.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.166 . . . . 0.0 109.272 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 37.2 p90 -153.44 155.73 31.86 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 111.048 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 171.02 19.13 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.488 1.783 . . . . 0.0 110.978 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.496 ' CB ' HD22 ' A' ' 19' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.28 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.528 0.204 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.5 ptt180 -131.96 177.15 7.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.305 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.467 ' CG1' ' HG ' ' A' ' 67' ' ' LEU . 21.3 m -131.01 131.43 64.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.0 mt -89.9 124.25 34.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.449 HG13 ' CD1' ' A' ' 85' ' ' ILE . 10.3 t -112.71 139.49 37.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 58.2 m -148.71 130.14 14.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 110.031 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 115.67 32.83 1.67 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.529 ' CD1' ' O ' ' A' ' 51' ' ' GLY . 4.7 mt -77.23 156.69 81.55 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.493 0.76 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 169.9 21.57 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.497 1.788 . . . . 0.0 110.97 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -12.84 21.47 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.556 1.819 . . . . 0.0 111.018 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.2 m -117.68 0.91 12.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.132 . . . . 0.0 110.029 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -62.81 161.57 32.04 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.53 1.144 . . . . 0.0 111.015 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.1 m -140.67 175.48 9.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 0.743 . . . . 0.0 109.986 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.531 ' CZ2' ' HG3' ' A' ' 30' ' ' GLN . 44.7 p-90 -84.81 -40.54 17.06 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.531 ' HG3' ' CZ2' ' A' ' 29' ' ' TRP . 39.9 mt-30 -49.68 -73.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.304 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.77 -39.4 25.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.26 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.533 ' C ' ' CD2' ' A' ' 32' ' ' LEU . 0.7 OUTLIER -56.67 -48.31 77.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.502 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 0.4 OUTLIER -54.4 -60.71 2.98 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -42.88 -27.51 0.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.412 ' N ' ' C ' ' A' ' 33' ' ' LYS . 4.3 t60 -85.86 -56.39 3.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 109.626 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.446 ' C ' ' N ' ' A' ' 38' ' ' GLU . 25.1 mmm -55.61 -40.43 72.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 110.978 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.502 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 1.7 mmm180 -42.09 -25.84 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.34 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.485 ' C ' ' O ' ' A' ' 37' ' ' ARG . 4.7 mm-40 -31.46 -40.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.297 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.574 ' HA ' ' CD1' ' A' ' 65' ' ' TYR . . . -59.66 -75.02 0.06 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -153.07 -103.22 0.23 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.463 1.102 . . . . 0.0 110.987 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -122.85 128.34 50.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 0.762 . . . . 0.0 109.292 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 6.9 t -94.93 126.03 47.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.354 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 8.4 t -91.2 -26.47 19.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 108.299 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -145.81 142.28 28.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 111.003 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -150.66 115.65 5.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -134.06 165.85 24.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.322 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 30.5 t -142.12 144.43 25.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -120.58 167.96 11.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 110.349 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.556 ' O ' ' CB ' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -62.22 169.22 2.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 109.336 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.556 ' CB ' ' O ' ' A' ' 49' ' ' LYS . 6.0 t0 87.05 -42.2 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.529 ' O ' ' CD1' ' A' ' 23' ' ' LEU . . . 132.6 -3.01 5.0 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.551 1.157 . . . . 0.0 110.954 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.27 154.55 41.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 0.771 . . . . 0.0 110.972 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -150.63 171.96 30.4 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.519 1.137 . . . . 0.0 110.999 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -149.38 143.67 25.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 0.785 . . . . 0.0 111.026 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.423 HG23 ' CG2' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -151.1 124.47 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -93.77 153.61 18.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.429 1.081 . . . . 0.0 110.319 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.5 ' CE1' ' HB3' ' A' ' 39' ' ' ALA . 14.3 m-85 -128.12 142.7 51.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.558 1.162 . . . . 0.0 110.97 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -82.37 -4.31 57.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -131.27 134.31 46.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.331 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.9 tttp -61.5 -57.29 12.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.565 1.166 . . . . 0.0 109.315 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -44.18 -52.76 7.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.284 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -44.44 -50.49 9.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 109.336 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.436 ' HA ' ' CD2' ' A' ' 57' ' ' TYR . 14.5 ttp -48.33 -60.98 2.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.997 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -62.58 -43.94 97.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.319 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.574 ' CD1' ' HA ' ' A' ' 39' ' ' ALA . 17.0 t80 -50.75 -61.8 1.99 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.961 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.431 ' O ' ' HB2' ' A' ' 70' ' ' LEU . . . -59.41 -38.1 79.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.467 ' HG ' ' CG1' ' A' ' 18' ' ' VAL . 16.4 mt -52.73 -54.54 32.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.269 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.446 ' O ' ' C ' ' A' ' 69' ' ' LYS . 17.8 mmt180 -73.5 -67.38 0.59 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -36.24 -59.87 0.6 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.289 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.637 ' O ' ' C ' ' A' ' 71' ' ' ASP . 20.1 mt -66.21 -62.5 1.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.637 ' C ' ' O ' ' A' ' 70' ' ' LEU . 33.7 t70 18.14 89.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.556 ' OD1' ' CE2' ' A' ' 84' ' ' TYR . 5.6 t70 61.48 102.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 109.331 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.455 ' CG2' ' O ' ' A' ' 70' ' ' LEU . 3.3 p -132.17 -179.39 5.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 110.413 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.1 tttt -107.42 98.7 8.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.486 ' CE1' ' HA ' ' A' ' 32' ' ' LEU . 49.6 t80 -90.43 127.44 36.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.961 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.7 ttp180 -96.6 121.85 38.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 110.321 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 87.0 p -69.76 165.36 21.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 110.007 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.579 ' O ' ' CD2' ' A' ' 78' ' ' HIS . 0.5 OUTLIER -68.54 -12.87 61.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.582 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -96.59 -6.48 36.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.32 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 108.74 -40.68 2.46 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.471 1.107 . . . . 0.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -41.33 151.45 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 0.752 . . . . 0.0 110.286 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 31.8 p -130.33 148.91 52.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.423 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 11.7 m -148.91 165.37 31.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.979 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.556 ' CE2' ' OD1' ' A' ' 72' ' ' ASP . 0.1 OUTLIER -103.1 108.87 20.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 110.98 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.449 ' CD1' HG13 ' A' ' 20' ' ' VAL . 4.1 pt -105.92 130.03 58.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.67 149.98 21.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 110.314 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.8 t -116.77 114.92 47.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.401 ' CD1' ' N ' ' A' ' 88' ' ' TYR . 14.2 p90 -145.81 156.87 51.81 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.986 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 177.33 8.72 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.483 1.781 . . . . 0.0 110.971 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.326 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.548 ' CE2' ' HB2' ' A' ' 60' ' ' LYS . 26.0 m-85 . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.474 0.178 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.449 ' HD2' ' CD2' ' A' ' 19' ' ' LEU . 0.3 OUTLIER -125.73 176.7 6.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 110.286 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.453 ' CG2' HG22 ' A' ' 55' ' ' VAL . 17.0 m -133.9 119.86 33.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 0.0 109.276 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.449 ' CD2' ' HD2' ' A' ' 17' ' ' ARG . 40.3 mt -84.09 128.05 34.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 65.2 t -115.88 141.49 33.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 109.333 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.505 ' CB ' ' SD ' ' A' ' 52' ' ' MET . 51.9 p -143.8 154.52 43.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.023 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.425 ' O ' ' CG2' ' A' ' 85' ' ' ILE . . . 79.0 60.99 2.45 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.499 1.124 . . . . 0.0 110.979 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.474 HD21 ' CD2' ' A' ' 75' ' ' PHE . 3.9 mt -106.24 158.96 31.37 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.473 0.749 . . . . 0.0 109.3 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 171.36 18.47 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.526 1.803 . . . . 0.0 110.934 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -20.1 17.16 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.531 1.806 . . . . 0.0 111.054 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.402 ' HB2' ' CB ' ' A' ' 77' ' ' SER . 1.2 m -99.93 -14.97 18.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 110.04 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -48.92 134.07 22.56 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.523 1.14 . . . . 0.0 110.993 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.7 m -123.26 169.71 11.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 0.754 . . . . 0.0 109.995 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.613 ' CE3' ' N ' ' A' ' 30' ' ' GLN . 29.4 p-90 -71.6 -39.52 70.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 108.005 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.613 ' N ' ' CE3' ' A' ' 29' ' ' TRP . 1.4 tm0? -50.95 -73.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 110.251 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -50.09 -44.57 52.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.435 ' C ' ' CD2' ' A' ' 32' ' ' LEU . 3.1 tt -53.01 -51.66 60.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 109.325 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.516 ' O ' ' N ' ' A' ' 36' ' ' MET . 15.7 ttpt -58.11 -65.63 0.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.446 ' OD1' ' NE2' ' A' ' 30' ' ' GLN . 1.0 OUTLIER -39.86 -29.66 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.436 ' N ' ' O ' ' A' ' 33' ' ' LYS . 6.0 t60 -82.66 -46.02 13.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.621 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.516 ' N ' ' O ' ' A' ' 33' ' ' LYS . 23.4 mmm -64.43 -39.21 93.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.98 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.486 ' O ' ' C ' ' A' ' 38' ' ' GLU . 5.0 mtm105 -42.47 -25.59 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.306 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.486 ' C ' ' O ' ' A' ' 37' ' ' ARG . 3.7 mm-40 -31.05 -40.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 110.265 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.548 ' HA ' ' CD1' ' A' ' 65' ' ' TYR . . . -66.38 -81.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -148.74 -130.09 1.88 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.537 1.148 . . . . 0.0 111.027 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -88.49 136.86 32.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 0.745 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.8 t -106.77 117.06 51.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.282 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 43.0 t -92.42 -25.52 18.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 108.331 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.513 ' CD1' ' CE ' ' A' ' 54' ' ' MET . 6.6 t80 -127.88 132.81 49.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.127 . . . . 0.0 110.959 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -148.2 114.71 5.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -144.65 163.28 34.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 5.7 p -140.56 139.08 35.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 109.267 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 58.1 mt-30 -108.99 170.16 8.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.269 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.95 -174.26 1.18 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.158 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.4 t0 72.83 -59.44 0.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.277 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.42 ' O ' ' N ' ' A' ' 22' ' ' GLY . . . 149.15 43.98 0.03 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.452 1.095 . . . . 0.0 111.002 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.505 ' SD ' ' CB ' ' A' ' 21' ' ' SER . 26.0 mmm -116.98 171.01 8.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 0.75 . . . . 0.0 110.996 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -157.13 167.97 33.95 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.457 1.098 . . . . 0.0 111.016 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.513 ' CE ' ' CD1' ' A' ' 44' ' ' TYR . 0.0 OUTLIER -152.17 137.39 17.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 0.793 . . . . 0.0 110.961 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.453 HG22 ' CG2' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -147.9 148.79 15.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.577 1.173 . . . . 0.0 109.316 179.939 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.442 ' HB2' ' CB ' ' A' ' 44' ' ' TYR . 2.4 mm-40 -115.22 164.21 14.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.483 ' CD2' ' HA ' ' A' ' 63' ' ' MET . 22.3 m-85 -138.84 143.89 39.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 111.019 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -86.66 7.01 28.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -141.86 132.29 25.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.16 . . . . 0.0 110.297 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.548 ' HB2' ' CE2' ' A' ' 16' ' ' PHE . 12.8 tttt -58.46 -53.67 55.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.238 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -47.61 -54.02 13.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.334 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.404 ' O ' ' HB3' ' A' ' 65' ' ' TYR . 84.8 m-20 -43.09 -51.79 5.67 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 109.344 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.483 ' HA ' ' CD2' ' A' ' 57' ' ' TYR . 20.1 ttp -51.5 -64.18 0.89 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 111.037 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -55.72 -46.04 77.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.548 ' CD1' ' HA ' ' A' ' 39' ' ' ALA . 24.5 t80 -50.51 -64.88 0.67 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.463 ' O ' ' HB2' ' A' ' 70' ' ' LEU . . . -58.16 -38.57 76.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.453 ' O ' ' HB2' ' A' ' 71' ' ' ASP . 18.7 mt -51.13 -57.51 8.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.546 ' O ' ' CB ' ' A' ' 71' ' ' ASP . 4.5 mmp_? -71.65 -66.87 0.58 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 68' ' ' ARG . 0.2 OUTLIER -36.65 -62.81 0.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.682 ' O ' ' C ' ' A' ' 71' ' ' ASP . 30.6 mt -60.68 -50.24 74.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.682 ' C ' ' O ' ' A' ' 70' ' ' LEU . 27.0 t0 -9.49 106.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 14.5 t70 60.84 103.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.339 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -147.43 175.33 10.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 110.402 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.2 tttt -108.07 98.66 8.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.474 ' CD2' HD21 ' A' ' 23' ' ' LEU . 33.2 t80 -83.82 134.82 34.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 111.015 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.3 ttp180 -108.4 112.97 25.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.275 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.402 ' CB ' ' HB2' ' A' ' 26' ' ' SER . 10.1 p -62.38 168.22 3.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.01 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 2.4 p-80 -70.21 -10.77 59.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.555 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -89.68 -1.33 57.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.312 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 95.23 -23.21 34.54 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.478 1.111 . . . . 0.0 111.023 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -58.72 156.18 11.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 0.753 . . . . 0.0 110.319 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.2 p -130.24 146.52 51.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 110.404 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 18.7 m -151.61 166.73 30.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.063 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -100.4 127.19 46.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.996 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.425 ' CG2' ' O ' ' A' ' 22' ' ' GLY . 45.4 pt -115.77 -173.66 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.75 132.74 18.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.12 . . . . 0.0 110.277 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.3 t -105.73 121.06 57.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.449 ' CD1' ' O ' ' A' ' 19' ' ' LEU . 22.4 p90 -147.59 158.31 43.39 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 111.013 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -168.56 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.484 1.781 . . . . 0.0 111.003 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.432 ' HB3' ' CD1' ' A' ' 19' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 110.303 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.521 0.2 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.449 ' N ' ' SD ' ' A' ' 63' ' ' MET . 0.1 OUTLIER -139.85 177.86 7.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.276 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.462 ' CG2' HG23 ' A' ' 55' ' ' VAL . 34.5 m -136.95 132.75 47.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.422 ' HB2' ' CE2' ' A' ' 88' ' ' TYR . 1.6 mm? -92.84 118.86 31.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.42 1.075 . . . . 0.0 109.29 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.466 HG12 ' CD1' ' A' ' 23' ' ' LEU . 10.0 t -99.12 136.49 29.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 75.2 m -145.84 135.81 23.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.098 . . . . 0.0 110.029 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 108.63 38.16 1.95 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.532 1.145 . . . . 0.0 110.968 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.466 ' CD1' HG12 ' A' ' 20' ' ' VAL . 2.3 mt -88.05 160.46 46.2 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.53 0.782 . . . . 0.0 109.278 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.475 ' HG2' ' CA ' ' A' ' 27' ' ' GLY . 18.4 Cg_endo -74.99 173.72 14.02 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.496 1.788 . . . . 0.0 110.998 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -21.91 15.5 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.537 1.809 . . . . 0.0 111.002 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.406 ' O ' ' O ' ' A' ' 27' ' ' GLY . 38.5 m -108.22 -13.26 14.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.983 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.475 ' CA ' ' HG2' ' A' ' 24' ' ' PRO . . . -40.07 161.89 0.01 OUTLIER Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.577 1.173 . . . . 0.0 111.01 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.9 p -136.79 177.84 7.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 0.747 . . . . 0.0 109.965 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.605 ' CH2' ' NE2' ' A' ' 30' ' ' GLN . 59.8 p-90 -92.94 -41.01 10.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 108.039 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.605 ' NE2' ' CH2' ' A' ' 29' ' ' TRP . 11.8 mm-40 -51.4 -61.6 2.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.281 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.403 ' HB3' ' CZ ' ' A' ' 75' ' ' PHE . 0.3 OUTLIER -58.02 -40.0 79.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.519 ' C ' ' CD2' ' A' ' 32' ' ' LEU . 0.6 OUTLIER -56.74 -51.02 70.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.493 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 1.6 ttpt -53.09 -56.16 18.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.274 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.405 ' HA ' ' HG3' ' A' ' 37' ' ' ARG . 0.4 OUTLIER -45.17 -25.82 0.4 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.403 ' N ' ' C ' ' A' ' 33' ' ' LYS . 6.5 t60 -87.94 -52.33 5.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.103 . . . . 0.0 109.56 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.44 ' C ' ' N ' ' A' ' 38' ' ' GLU . 28.5 mmm -58.62 -39.57 80.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 111.019 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.493 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 6.1 mtm180 -42.01 -26.02 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.483 ' C ' ' O ' ' A' ' 37' ' ' ARG . 0.4 OUTLIER -31.64 -40.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.277 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.571 ' HA ' ' CD1' ' A' ' 65' ' ' TYR . . . -66.3 -80.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -146.31 -130.17 2.11 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.515 1.134 . . . . 0.0 110.952 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -91.85 135.87 33.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 0.786 . . . . 0.0 109.296 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.459 ' CG1' HG11 ' A' ' 55' ' ' VAL . 3.6 t -107.98 116.33 51.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.564 1.165 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 31.7 t -94.6 -29.03 15.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.549 1.155 . . . . 0.0 108.319 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.644 ' CD1' ' CE ' ' A' ' 54' ' ' MET . 7.3 t80 -117.89 129.51 55.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -146.73 114.77 6.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -145.51 155.22 42.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.446 ' CG1' ' HB3' ' A' ' 29' ' ' TRP . 7.7 p -136.94 139.1 45.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -110.33 169.94 8.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.34 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.481 ' O ' ' CB ' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -68.97 174.77 4.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.481 ' CB ' ' O ' ' A' ' 49' ' ' LYS . 1.2 t70 80.48 -58.14 0.32 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 147.36 44.69 0.03 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.545 1.153 . . . . 0.0 110.996 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 1.1 mtt -111.7 163.53 14.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 0.773 . . . . 0.0 110.971 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -152.61 164.85 30.82 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.521 1.138 . . . . 0.0 111.017 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.644 ' CE ' ' CD1' ' A' ' 44' ' ' TYR . 1.6 ttp -152.7 123.14 7.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 0.769 . . . . 0.0 111.027 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.462 HG23 ' CG2' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -134.39 139.54 47.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 109.338 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.469 ' HG3' ' CE ' ' A' ' 54' ' ' MET . 10.7 mt-10 -112.73 142.54 45.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.275 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.492 ' CZ ' ' HB2' ' A' ' 39' ' ' ALA . 45.7 m-85 -114.46 141.24 47.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 110.985 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -80.53 2.14 26.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.26 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -137.95 132.29 32.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.306 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 30.7 tttt -57.85 -53.44 58.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -49.5 -51.2 37.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.286 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.408 ' O ' ' HB1' ' A' ' 39' ' ' ALA . 77.1 m-20 -46.5 -44.44 17.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.481 ' HA ' ' CD2' ' A' ' 57' ' ' TYR . 13.0 ttp -56.91 -63.68 1.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -54.79 -43.94 73.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.292 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.571 ' CD1' ' HA ' ' A' ' 39' ' ' ALA . 31.5 t80 -50.71 -67.68 0.23 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.127 . . . . 0.0 111.006 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.408 ' O ' ' HB2' ' A' ' 70' ' ' LEU . . . -56.51 -38.08 71.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.466 ' CD1' ' HG2' ' A' ' 63' ' ' MET . 20.6 mt -50.93 -58.57 5.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.567 1.167 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.462 ' O ' ' C ' ' A' ' 69' ' ' LYS . 0.1 OUTLIER -72.35 -66.14 0.69 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 110.285 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.462 ' C ' ' O ' ' A' ' 68' ' ' ARG . 1.7 mptp? -35.49 -61.66 0.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.164 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.638 ' O ' ' C ' ' A' ' 71' ' ' ASP . 21.8 mt -65.48 -62.48 1.5 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.638 ' C ' ' O ' ' A' ' 70' ' ' LEU . 67.3 t0 16.69 76.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.435 ' CB ' ' O ' ' A' ' 71' ' ' ASP . 8.3 t70 77.23 104.49 0.07 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.461 ' CG2' ' O ' ' A' ' 70' ' ' LEU . 22.7 p -140.88 166.12 25.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.357 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.9 tttt -93.11 99.44 12.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.487 ' CE1' ' HA ' ' A' ' 32' ' ' LEU . 18.9 t80 -90.63 112.59 24.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.536 1.148 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.462 ' CB ' HG22 ' A' ' 82' ' ' THR . 10.7 ttp180 -97.65 110.14 22.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 110.271 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.406 ' OG ' ' OE1' ' A' ' 79' ' ' GLU . 2.7 p -67.64 175.47 2.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.958 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.499 ' CD2' ' HG3' ' A' ' 79' ' ' GLU . 0.7 OUTLIER -72.29 -12.08 60.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 0.0 109.621 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.499 ' HG3' ' CD2' ' A' ' 78' ' ' HIS . 0.6 OUTLIER -85.9 0.8 52.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.374 179.926 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 86.6 -16.49 45.18 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.501 1.125 . . . . 0.0 110.974 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -67.72 144.25 55.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 0.762 . . . . 0.0 110.337 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.462 HG22 ' CB ' ' A' ' 76' ' ' ARG . 65.0 p -126.99 135.38 50.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.433 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 21.1 m -140.27 146.97 39.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.004 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -81.65 111.95 18.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.961 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 13.3 pt -108.62 133.34 53.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.329 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.14 153.45 17.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 110.255 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.419 ' CG2' ' HB2' ' A' ' 70' ' ' LEU . 1.6 t -122.37 119.38 58.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.088 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.422 ' CE2' ' HB2' ' A' ' 19' ' ' LEU . 40.6 p90 -153.39 154.52 30.72 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 111.024 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 174.06 13.45 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.514 1.797 . . . . 0.0 110.985 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 110.283 -179.997 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.513 ' CE2' ' HB2' ' A' ' 60' ' ' LYS . 27.2 m-85 . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.46 0.171 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.29 176.96 6.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.317 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.468 ' CG2' HG21 ' A' ' 55' ' ' VAL . 24.1 m -133.13 133.63 58.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.575 ' O ' ' CE1' ' A' ' 88' ' ' TYR . 13.2 mt -91.78 120.87 32.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.337 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.443 ' CG1' HD11 ' A' ' 23' ' ' LEU . 54.4 t -101.29 141.71 17.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 93.1 p -149.08 150.21 32.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.009 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 51' ' ' GLY . . . 84.33 44.93 6.38 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.512 1.132 . . . . 0.0 110.966 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.469 ' CD2' HG22 ' A' ' 85' ' ' ILE . 9.1 mt -91.31 158.27 41.29 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.508 0.769 . . . . 0.0 109.255 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 173.03 15.22 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.496 1.787 . . . . 0.0 110.959 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -20.95 16.29 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.522 1.801 . . . . 0.0 110.974 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.461 ' CB ' ' HB2' ' A' ' 79' ' ' GLU . 1.5 m -104.56 -11.53 16.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.976 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -50.8 128.47 29.35 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.525 1.14 . . . . 0.0 111.02 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 74.4 m -114.73 -179.03 3.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 0.779 . . . . 0.0 109.989 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.531 ' CZ3' ' HG2' ' A' ' 30' ' ' GLN . 55.2 p-90 -83.3 -39.56 20.64 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.531 ' HG2' ' CZ3' ' A' ' 29' ' ' TRP . 71.6 mt-30 -48.93 -73.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 110.311 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -49.32 -40.94 36.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.344 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.431 HD21 ' CG ' ' A' ' 36' ' ' MET . 5.7 tt -55.81 -55.11 36.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.118 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.474 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 2.1 tttm -53.42 -64.01 0.96 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.098 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -41.17 -28.79 0.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.253 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.422 ' N ' ' O ' ' A' ' 33' ' ' LYS . 6.2 t60 -85.38 -56.79 3.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.619 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.436 ' C ' ' N ' ' A' ' 38' ' ' GLU . 26.2 mmm -54.76 -39.62 68.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.979 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.483 ' O ' ' C ' ' A' ' 38' ' ' GLU . 5.8 mmm180 -43.25 -25.09 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.292 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.483 ' C ' ' O ' ' A' ' 37' ' ' ARG . 1.0 OUTLIER -31.68 -40.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.304 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.566 ' HA ' ' CD1' ' A' ' 65' ' ' TYR . . . -66.98 -81.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.307 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -145.84 -136.1 2.89 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.503 1.127 . . . . 0.0 111.042 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -88.34 127.03 35.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 0.764 . . . . 0.0 109.257 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 22.4 t -92.22 111.67 24.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.4 p -86.43 -26.07 24.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 108.31 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.572 ' CD1' ' HE1' ' A' ' 54' ' ' MET . 5.5 t80 -129.45 133.72 47.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.984 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -146.18 112.33 5.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -145.22 134.53 22.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.0 p -103.38 152.26 6.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.32 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -118.52 155.36 30.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.281 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.433 ' O ' ' CB ' ' A' ' 50' ' ' ASP . 0.1 OUTLIER -68.66 173.55 5.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.329 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.433 ' CB ' ' O ' ' A' ' 49' ' ' LYS . 8.7 t70 76.85 -56.92 0.54 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.463 ' O ' ' N ' ' A' ' 22' ' ' GLY . . . 153.08 43.98 0.02 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.454 1.096 . . . . 0.0 110.999 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -120.8 158.46 27.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 0.786 . . . . 0.0 111.002 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -145.35 167.44 27.44 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.525 1.14 . . . . 0.0 111.042 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.572 ' HE1' ' CD1' ' A' ' 44' ' ' TYR . 0.0 OUTLIER -152.45 115.83 4.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 0.745 . . . . 0.0 111.023 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.468 HG21 ' CG2' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -130.59 147.99 33.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.515 ' CG ' ' CE ' ' A' ' 54' ' ' MET . 2.6 mt-10 -115.1 167.15 11.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.328 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.451 ' CD2' ' HA ' ' A' ' 63' ' ' MET . 26.6 m-85 -139.34 147.97 42.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 111.024 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 23.9 mt -90.04 10.21 25.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.332 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -143.96 135.56 26.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 110.284 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.513 ' HB2' ' CE2' ' A' ' 16' ' ' PHE . 79.5 tttt -60.27 -55.86 28.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -48.9 -50.89 32.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.287 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.4 ' O ' ' HB3' ' A' ' 39' ' ' ALA . 70.0 m-20 -44.34 -46.26 9.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.451 ' HA ' ' CD2' ' A' ' 57' ' ' TYR . 17.7 ttp -55.26 -63.89 1.01 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -57.16 -43.3 82.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.274 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.566 ' CD1' ' HA ' ' A' ' 39' ' ' ALA . 30.8 t80 -50.16 -66.34 0.41 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 110.999 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.414 ' O ' ' HB2' ' A' ' 70' ' ' LEU . . . -57.34 -38.74 74.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.459 ' HG ' ' CG1' ' A' ' 18' ' ' VAL . 20.1 mt -50.3 -58.49 5.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.46 ' O ' ' C ' ' A' ' 69' ' ' LYS . 21.0 mmt85 -72.73 -66.62 0.64 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.097 . . . . 0.0 110.334 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 68' ' ' ARG . 0.2 OUTLIER -35.22 -62.06 0.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.693 ' O ' ' C ' ' A' ' 71' ' ' ASP . 22.2 mt -64.15 -59.12 4.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.693 ' C ' ' O ' ' A' ' 70' ' ' LEU . 55.4 t0 10.17 93.45 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 20.0 t70 61.2 110.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -152.48 157.34 41.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.386 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.5 ttpt -80.88 98.94 8.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.421 ' CD2' HD22 ' A' ' 23' ' ' LEU . 30.5 t80 -86.91 122.18 30.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 111.028 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.8 ttt-85 -88.28 114.22 24.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 110.336 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 60.4 p -69.81 163.27 26.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.994 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.18 -17.55 62.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.618 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.461 ' HB2' ' CB ' ' A' ' 26' ' ' SER . 3.2 mm-40 -93.56 6.05 49.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.268 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 91.64 -37.93 3.3 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.5 1.125 . . . . 0.0 111.019 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -46.27 132.03 10.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 0.737 . . . . 0.0 110.268 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 32.9 p -109.38 149.86 28.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.44 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 53.3 m -155.33 167.35 30.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.973 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -99.49 126.2 45.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.954 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.469 HG22 ' CD2' ' A' ' 23' ' ' LEU . 13.6 pt -121.46 133.22 68.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.327 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.82 147.6 23.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.333 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.9 t -120.47 114.23 43.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.343 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.575 ' CE1' ' O ' ' A' ' 19' ' ' LEU . 9.4 p90 -141.75 157.5 64.67 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 175.05 11.74 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.47 1.774 . . . . 0.0 111.02 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.435 ' HG2' ' CD1' ' A' ' 19' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.284 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.466 0.175 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.443 ' N ' ' SD ' ' A' ' 63' ' ' MET . 1.7 ptt-85 -141.33 174.71 10.29 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.135 . . . . 0.0 110.326 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.465 ' CG1' ' HG ' ' A' ' 67' ' ' LEU . 36.0 m -131.38 130.81 63.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.09 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.591 ' HB2' ' CE2' ' A' ' 88' ' ' TYR . 0.9 OUTLIER -93.14 116.14 28.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.406 HG13 ' CD1' ' A' ' 85' ' ' ILE . 57.9 t -96.54 139.03 20.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.0 m -143.63 143.21 31.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.994 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 51' ' ' GLY . . . 96.96 41.78 3.45 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.494 1.121 . . . . 0.0 111.031 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.542 HD22 ' CD2' ' A' ' 75' ' ' PHE . 6.7 mt -89.34 158.33 46.32 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.523 0.778 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 171.6 18.0 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.508 1.794 . . . . 0.0 111.014 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -24.24 12.98 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.456 1.766 . . . . 0.0 110.983 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.3 m -105.3 -4.82 21.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.019 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -60.5 145.84 46.9 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.488 1.117 . . . . 0.0 110.998 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 45.4 m -122.77 -177.5 3.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 0.784 . . . . 0.0 109.969 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.571 ' CZ3' ' HG2' ' A' ' 30' ' ' GLN . 54.7 p-90 -90.54 -35.87 14.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.14 . . . . 0.0 108.034 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.571 ' HG2' ' CZ3' ' A' ' 29' ' ' TRP . 46.3 mt-30 -49.3 -73.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.34 -40.34 34.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.509 ' C ' ' CD2' ' A' ' 32' ' ' LEU . 0.8 OUTLIER -55.29 -48.91 73.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.485 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 19.3 ttpt -55.71 -60.98 2.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -42.69 -27.25 0.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.415 ' N ' ' C ' ' A' ' 33' ' ' LYS . 3.6 t-160 -86.37 -57.36 3.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.63 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.441 ' C ' ' N ' ' A' ' 38' ' ' GLU . 28.0 mmm -54.45 -38.95 66.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 111.011 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.485 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 8.3 mmm-85 -42.25 -26.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.312 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.481 ' C ' ' O ' ' A' ' 37' ' ' ARG . 4.5 mm-40 -31.6 -40.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.31 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.573 ' HA ' ' CD1' ' A' ' 65' ' ' TYR . . . -64.8 -81.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -146.21 -127.1 1.83 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.515 1.135 . . . . 0.0 110.992 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -97.0 126.16 41.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 0.779 . . . . 0.0 109.268 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.478 ' CG1' HG12 ' A' ' 55' ' ' VAL . 9.3 t -94.1 114.07 30.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 45.6 t -86.77 -31.02 21.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 108.283 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.561 ' CD1' ' HE2' ' A' ' 54' ' ' MET . 31.2 t80 -126.29 137.69 53.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 111.0 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -152.03 114.08 4.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.552 1.157 . . . . 0.0 109.319 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -140.21 162.95 34.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.536 ' CG2' ' HB3' ' A' ' 29' ' ' TRP . 0.9 OUTLIER -134.4 152.54 33.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.259 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -121.89 169.99 10.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 110.314 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.411 ' O ' ' CB ' ' A' ' 50' ' ' ASP . 1.5 tttm -73.55 175.01 7.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.411 ' CB ' ' O ' ' A' ' 49' ' ' LYS . 11.2 t0 75.74 -57.45 0.57 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.336 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 22' ' ' GLY . . . 151.17 44.18 0.02 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.442 1.089 . . . . 0.0 110.97 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -113.11 160.9 17.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 0.756 . . . . 0.0 110.96 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -155.53 167.48 33.04 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.467 1.104 . . . . 0.0 111.021 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.561 ' HE2' ' CD1' ' A' ' 44' ' ' TYR . 2.7 ttp -153.19 129.89 10.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 0.775 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.478 HG12 ' CG1' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -138.24 133.17 43.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.269 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.549 ' OE2' ' CG ' ' A' ' 44' ' ' TYR . 32.5 mt-10 -105.84 148.35 27.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.3 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.522 ' CD2' ' HA ' ' A' ' 63' ' ' MET . 41.9 m-85 -119.92 142.11 49.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 111.022 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 21.7 mt -75.96 -17.62 59.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.431 ' HB3' ' NH1' ' A' ' 59' ' ' ARG . 6.1 mmm180 -118.17 139.01 51.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 110.265 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 40.7 tttt -61.29 -54.27 46.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.335 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -47.75 -53.69 14.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.287 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.4 ' O ' ' HB3' ' A' ' 65' ' ' TYR . 78.2 m-20 -40.19 -51.61 2.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.522 ' HA ' ' CD2' ' A' ' 57' ' ' TYR . 11.1 ttp -51.53 -63.78 1.02 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 111.006 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -56.57 -45.56 81.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.311 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.573 ' CD1' ' HA ' ' A' ' 39' ' ' ALA . 24.3 t80 -50.55 -64.53 0.78 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.977 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.416 ' O ' ' HB2' ' A' ' 70' ' ' LEU . . . -58.49 -37.96 76.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.465 ' HG ' ' CG1' ' A' ' 18' ' ' VAL . 18.5 mt -51.54 -57.59 8.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.351 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.453 ' O ' ' C ' ' A' ' 69' ' ' LYS . 20.8 mmt180 -72.5 -66.26 0.68 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 110.303 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 68' ' ' ARG . 2.8 mptp? -35.83 -61.1 0.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.63 ' O ' ' C ' ' A' ' 71' ' ' ASP . 20.4 mt -65.86 -63.01 1.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.63 ' C ' ' O ' ' A' ' 70' ' ' LEU . 31.8 t70 18.21 87.94 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.578 ' OD1' ' CD2' ' A' ' 84' ' ' TYR . 31.1 t0 68.27 98.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.558 1.162 . . . . 0.0 109.286 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.44 ' CG2' ' O ' ' A' ' 70' ' ' LEU . 17.9 p -131.59 163.74 27.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 110.436 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.8 tttt -92.98 100.21 12.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.298 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.542 ' CD2' HD22 ' A' ' 23' ' ' LEU . 38.5 t80 -87.1 126.56 34.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.153 . . . . 0.0 110.955 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 31.9 ttp180 -96.44 114.94 26.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.297 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 31.8 p -71.61 157.83 37.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.987 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -58.4 -18.36 27.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.632 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -92.15 2.85 56.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 110.286 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 93.33 -38.36 3.17 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.515 1.134 . . . . 0.0 110.995 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -42.98 128.66 4.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 0.769 . . . . 0.0 110.285 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.9 p -106.95 147.36 29.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.373 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 32.8 m -151.57 158.07 43.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.003 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.578 ' CD2' ' OD1' ' A' ' 72' ' ' ASP . 0.2 OUTLIER -93.46 119.0 32.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.425 1.078 . . . . 0.0 110.966 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.406 ' CD1' HG13 ' A' ' 20' ' ' VAL . 5.3 pt -112.34 129.88 67.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.89 151.0 20.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.301 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.434 HG13 ' CD2' ' A' ' 67' ' ' LEU . 2.3 t -121.28 121.81 65.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.591 ' CE2' ' HB2' ' A' ' 19' ' ' LEU . 33.7 p90 -151.92 156.99 34.46 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 110.984 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 175.05 11.76 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.493 1.786 . . . . 0.0 111.008 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.479 ' CB ' HD23 ' A' ' 19' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.42 ' CG ' ' HA ' ' A' ' 60' ' ' LYS . 7.7 m-85 . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 120.497 0.189 . . . . 0.0 110.987 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.1 ptp85 -124.01 170.7 10.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.298 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.454 ' CG2' HG22 ' A' ' 55' ' ' VAL . 18.2 m -133.93 122.11 41.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.489 ' HB2' ' CE2' ' A' ' 88' ' ' TYR . 10.8 mt -82.11 125.99 31.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 50.5 t -111.14 136.49 47.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.339 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 57.1 p -142.73 152.38 42.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.01 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 51' ' ' GLY . . . 87.9 41.65 6.26 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.561 1.163 . . . . 0.0 110.999 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.463 HD21 ' CD2' ' A' ' 75' ' ' PHE . 5.2 mt -88.98 156.9 49.1 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.486 0.757 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 171.66 17.89 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.512 1.796 . . . . 0.0 110.936 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -17.52 19.45 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.478 1.778 . . . . 0.0 111.0 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 45.6 m -106.72 -14.66 14.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 110.05 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -39.24 148.15 0.13 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.511 1.132 . . . . 0.0 111.015 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.2 m -132.04 172.48 12.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 0.773 . . . . 0.0 110.017 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.581 ' CE3' ' N ' ' A' ' 30' ' ' GLN . 31.6 p-90 -83.34 -39.13 21.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 108.014 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.581 ' N ' ' CE3' ' A' ' 29' ' ' TRP . 0.2 OUTLIER -50.05 -71.08 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.336 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.89 -40.48 60.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 0.0 109.335 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.439 ' C ' ' CD2' ' A' ' 32' ' ' LEU . 3.0 tt -57.16 -51.97 67.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.518 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 13.4 tttt -54.49 -62.14 1.85 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -47.24 -23.39 0.54 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.42 ' N ' ' C ' ' A' ' 33' ' ' LYS . 5.6 t60 -86.82 -51.53 6.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.6 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.446 ' C ' ' N ' ' A' ' 38' ' ' GLU . 27.0 mmm -63.49 -41.01 98.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.135 . . . . 0.0 110.993 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.518 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 1.5 mmm180 -41.43 -26.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.496 ' C ' ' O ' ' A' ' 37' ' ' ARG . 2.9 mm-40 -30.98 -40.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.277 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.588 ' HA ' ' CD1' ' A' ' 65' ' ' TYR . . . -63.99 -82.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -151.0 -133.06 2.0 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.506 1.129 . . . . 0.0 111.04 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.461 ' O ' ' CD1' ' A' ' 58' ' ' LEU . 1.3 t70 -84.17 126.06 32.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 0.793 . . . . 0.0 109.299 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 73.1 t -86.3 125.26 40.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 6.3 t -90.23 -21.78 21.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 108.369 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.549 ' CD2' ' HE1' ' A' ' 54' ' ' MET . 76.0 t80 -154.69 145.67 22.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 111.016 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -152.39 117.89 5.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.401 ' HB2' ' CE2' ' A' ' 44' ' ' TYR . 1.1 t70 -147.85 160.65 42.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.123 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.5 p -135.6 145.0 32.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 109.312 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -119.25 169.89 9.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 110.285 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.409 ' O ' ' CB ' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -69.71 -177.7 1.31 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.276 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.409 ' CB ' ' O ' ' A' ' 49' ' ' LYS . 8.2 t70 75.51 -57.63 0.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.436 1.085 . . . . 0.0 109.331 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 22' ' ' GLY . . . 142.88 44.61 0.05 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.532 1.145 . . . . 0.0 111.007 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 6.7 mtt -125.92 158.48 35.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.442 0.731 . . . . 0.0 110.958 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -153.07 173.38 31.97 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.552 1.158 . . . . 0.0 110.992 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.549 ' HE1' ' CD2' ' A' ' 44' ' ' TYR . 4.0 ttp -152.08 136.8 17.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 0.78 . . . . 0.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.454 HG22 ' CG2' ' A' ' 18' ' ' VAL . 0.1 OUTLIER -137.97 142.38 36.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -120.26 139.53 52.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.318 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.434 ' CD2' ' HA ' ' A' ' 63' ' ' MET . 40.8 m-85 -113.7 167.58 10.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 111.008 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.461 ' CD1' ' O ' ' A' ' 41' ' ' ASP . 2.1 mp -94.66 -26.15 16.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.267 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.9 mmm-85 -112.59 140.74 47.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.329 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.42 ' HA ' ' CG ' ' A' ' 16' ' ' PHE . 65.5 tttt -59.88 -54.44 46.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.342 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -44.37 -54.14 6.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.258 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.409 ' O ' ' HB1' ' A' ' 39' ' ' ALA . 70.5 m-20 -40.48 -51.73 2.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 109.3 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.448 ' HG2' ' CD1' ' A' ' 67' ' ' LEU . 22.4 ttp -52.9 -65.34 0.58 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 111.035 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -53.84 -46.23 71.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.155 . . . . 0.0 110.289 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.588 ' CD1' ' HA ' ' A' ' 39' ' ' ALA . 25.1 t80 -50.21 -65.7 0.52 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.415 ' O ' ' HB2' ' A' ' 70' ' ' LEU . . . -57.17 -38.71 74.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.453 ' HG ' ' CG1' ' A' ' 18' ' ' VAL . 20.5 mt -51.22 -56.79 11.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.465 ' O ' ' C ' ' A' ' 69' ' ' LYS . 2.4 mmt180 -73.1 -67.43 0.57 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.281 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.465 ' C ' ' O ' ' A' ' 68' ' ' ARG . 0.2 OUTLIER -34.92 -60.45 0.45 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.657 ' O ' ' C ' ' A' ' 71' ' ' ASP . 19.8 mt -66.13 -62.29 1.57 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.657 ' C ' ' O ' ' A' ' 70' ' ' LEU . 22.7 t0 15.89 89.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.453 ' N ' ' OD1' ' A' ' 72' ' ' ASP . 0.2 OUTLIER 65.52 101.17 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.439 1.087 . . . . 0.0 109.329 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.459 ' CG2' ' O ' ' A' ' 70' ' ' LEU . 6.1 p -133.83 170.59 15.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.424 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.3 tttt -96.34 99.56 11.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.463 ' CD2' HD21 ' A' ' 23' ' ' LEU . 40.8 t80 -88.56 133.32 34.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.988 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 13.2 ttp180 -112.13 115.5 28.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.307 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 92.8 p -67.89 174.28 3.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.005 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.411 ' CD2' ' HG2' ' A' ' 79' ' ' GLU . 0.3 OUTLIER -74.23 -8.56 56.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.616 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.411 ' HG2' ' CD2' ' A' ' 78' ' ' HIS . 7.0 mm-40 -90.69 -5.37 55.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 110.3 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 98.23 -26.61 22.92 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.531 1.145 . . . . 0.0 111.02 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -53.99 156.32 3.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 0.749 . . . . 0.0 110.29 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.7 p -132.51 146.76 52.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 110.354 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 39.1 m -151.92 167.58 27.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 109.988 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -103.39 116.9 33.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.994 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 11.6 pt -113.87 133.09 60.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.338 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.419 ' N ' ' HD3' ' A' ' 86' ' ' ARG . 0.0 OUTLIER -90.88 154.3 19.59 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.465 1.103 . . . . 0.0 110.301 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.8 t -123.11 113.55 38.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.133 . . . . 0.0 109.268 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.489 ' CE2' ' HB2' ' A' ' 19' ' ' LEU . 8.7 p90 -139.68 157.17 70.53 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.991 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 167.19 27.6 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.506 1.793 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.438 ' HG2' ' CD1' ' A' ' 19' ' ' LEU . 1.6 tm-20 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.33 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 120.502 0.192 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 11.8 ptp180 -121.9 177.8 5.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 110.259 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.465 ' CG1' ' HG ' ' A' ' 67' ' ' LEU . 12.6 m -135.05 122.64 37.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.0 mt -82.25 128.98 34.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.272 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.403 ' O ' ' N ' ' A' ' 53' ' ' GLY . 2.6 t -120.47 145.47 26.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.403 ' N ' HG11 ' A' ' 20' ' ' VAL . 0.3 OUTLIER -150.6 147.44 27.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.017 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 99.57 27.8 7.84 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.501 1.125 . . . . 0.0 111.038 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.406 ' HB2' ' O ' ' A' ' 51' ' ' GLY . 9.8 mt -70.54 155.95 92.65 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.485 0.756 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.41 ' HG2' ' CA ' ' A' ' 27' ' ' GLY . 18.3 Cg_endo -74.99 172.56 16.11 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.487 1.783 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -14.2 21.3 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.466 1.772 . . . . 0.0 111.009 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.8 m -112.07 -22.67 10.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.989 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.41 ' CA ' ' HG2' ' A' ' 24' ' ' PRO . . . -39.89 148.96 0.15 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.457 1.098 . . . . 0.0 111.053 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 93.3 p -134.82 169.03 17.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 0.771 . . . . 0.0 109.978 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.549 ' CE3' ' N ' ' A' ' 30' ' ' GLN . 32.0 p-90 -72.38 -38.1 68.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 108.009 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.549 ' N ' ' CE3' ' A' ' 29' ' ' TRP . 0.0 OUTLIER -54.29 -71.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.292 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.51 -33.61 45.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.464 ' C ' ' CD2' ' A' ' 32' ' ' LEU . 2.1 tt -61.76 -51.72 67.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.54 1.15 . . . . 0.0 109.261 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.489 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 17.5 ttpt -55.5 -59.98 4.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.263 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -40.36 -29.21 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 109.295 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.435 ' N ' ' O ' ' A' ' 33' ' ' LYS . 3.5 t-160 -85.16 -60.53 2.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.639 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.428 ' C ' ' N ' ' A' ' 38' ' ' GLU . 28.7 mmm -50.98 -37.68 46.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.998 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.489 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 6.9 mmm180 -43.84 -25.14 0.17 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.46 1.1 . . . . 0.0 110.253 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.478 ' C ' ' O ' ' A' ' 37' ' ' ARG . 5.8 mm-40 -31.92 -40.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.302 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.586 ' HA ' ' CD1' ' A' ' 65' ' ' TYR . . . -60.38 -72.29 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -156.73 -111.32 0.34 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.499 1.124 . . . . 0.0 110.996 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -114.37 121.74 44.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 0.777 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.453 ' CG1' HG13 ' A' ' 55' ' ' VAL . 14.2 t -85.58 127.8 39.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.443 ' HB2' ' CD2' ' A' ' 58' ' ' LEU . 19.2 t -89.66 -34.14 16.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 108.314 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 58.6 t80 -143.84 142.75 31.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -148.13 119.99 8.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.416 1.072 . . . . 0.0 109.297 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -134.96 166.8 22.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.459 HG22 ' CA ' ' A' ' 29' ' ' TRP . 54.8 t -137.34 142.91 35.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -117.65 166.54 12.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.274 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.565 ' O ' ' CB ' ' A' ' 50' ' ' ASP . 48.6 pttt -66.14 165.73 13.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.565 ' CB ' ' O ' ' A' ' 49' ' ' LYS . 4.0 t70 88.12 -34.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.406 ' O ' ' HB2' ' A' ' 23' ' ' LEU . . . 125.89 5.95 6.14 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.479 1.112 . . . . 0.0 110.985 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.403 ' HA ' ' HA ' ' A' ' 21' ' ' SER . 0.0 OUTLIER -74.05 157.72 35.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 0.754 . . . . 0.0 110.999 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -149.05 163.79 29.16 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.515 1.134 . . . . 0.0 111.044 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -148.14 138.11 22.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 0.77 . . . . 0.0 110.988 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.453 HG13 ' CG1' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -144.26 121.65 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -99.52 116.89 32.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.267 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.56 ' CE1' ' HB3' ' A' ' 39' ' ' ALA . 27.6 m-85 -86.02 176.43 8.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 111.032 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.443 ' CD2' ' HB2' ' A' ' 43' ' ' CYS . 13.5 mt -101.66 -24.43 14.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.16 . . . . 0.0 109.33 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -121.87 143.59 49.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 69.3 tttt -59.92 -54.64 43.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.273 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.15 -55.31 2.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.266 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -43.01 -50.99 5.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.122 . . . . 0.0 109.321 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 16.3 ttp -50.31 -65.67 0.52 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.974 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -56.74 -45.35 82.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.272 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.586 ' CD1' ' HA ' ' A' ' 39' ' ' ALA . 20.0 t80 -50.7 -63.41 1.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.984 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.455 ' CB ' ' HB2' ' A' ' 39' ' ' ALA . . . -59.37 -37.39 77.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.468 ' CD2' HG11 ' A' ' 87' ' ' VAL . 18.9 mt -52.2 -56.21 16.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.448 ' O ' ' C ' ' A' ' 69' ' ' LYS . 22.2 mmt180 -73.18 -66.3 0.7 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 110.315 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 68' ' ' ARG . 1.8 mptm? -36.5 -60.53 0.58 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.635 ' O ' ' C ' ' A' ' 71' ' ' ASP . 18.1 mt -65.98 -62.28 1.58 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.635 ' C ' ' O ' ' A' ' 70' ' ' LEU . 38.7 t70 17.7 79.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 18.9 t0 73.68 104.92 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.426 HG21 ' CA ' ' A' ' 70' ' ' LEU . 16.0 p -138.38 169.33 17.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.443 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.2 ttmt -95.98 98.95 10.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -85.81 132.29 34.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 110.982 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.7 ttp180 -108.01 111.56 23.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 110.334 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 85.3 p -64.0 172.12 2.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.976 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -72.89 -13.55 61.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.604 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -92.63 -4.97 52.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 110.273 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 102.66 -34.3 5.85 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.557 1.161 . . . . 0.0 111.037 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -42.83 149.22 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.562 0.801 . . . . 0.0 110.281 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.0 p -128.38 146.46 50.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 110.426 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 35.5 m -152.94 161.06 43.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 110.019 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -100.09 109.89 22.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.963 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 6.7 pt -106.52 130.48 58.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.335 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.7 148.69 22.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.33 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.468 HG11 ' CD2' ' A' ' 67' ' ' LEU . 2.2 t -114.56 119.3 61.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 109.301 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.411 ' CD1' ' N ' ' A' ' 88' ' ' TYR . 13.7 p90 -148.51 157.63 41.41 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.537 1.148 . . . . 0.0 110.982 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 179.74 5.78 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.535 1.808 . . . . 0.0 111.004 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 0.0 110.302 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.497 ' CE2' ' HB2' ' A' ' 60' ' ' LYS . 30.1 m-85 . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.538 0.209 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -132.61 177.96 7.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.468 ' CG2' HG21 ' A' ' 55' ' ' VAL . 30.1 m -133.32 118.51 31.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.465 ' O ' ' CD1' ' A' ' 88' ' ' TYR . 30.0 mt -82.67 126.43 32.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.441 ' CG1' HD11 ' A' ' 85' ' ' ILE . 84.3 t -117.23 139.83 42.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 86.9 p -146.78 127.41 14.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.991 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 130.0 -0.95 5.8 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.525 1.14 . . . . 0.0 111.055 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.459 HD11 ' CD1' ' A' ' 32' ' ' LEU . 3.8 mm? -40.67 155.24 0.2 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.524 0.779 . . . . 0.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.506 ' HG2' ' CA ' ' A' ' 27' ' ' GLY . 18.3 Cg_endo -74.96 174.36 12.9 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.466 1.772 . . . . 0.0 111.029 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -18.08 19.07 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.518 1.799 . . . . 0.0 111.023 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 41.6 m -120.61 9.18 10.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 110.019 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.506 ' CA ' ' HG2' ' A' ' 24' ' ' PRO . . . -53.93 161.53 3.79 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.543 1.152 . . . . 0.0 110.999 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.5 m -143.03 147.17 34.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 0.759 . . . . 0.0 109.953 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.596 ' CE3' ' N ' ' A' ' 30' ' ' GLN . 53.8 p-90 -62.3 -49.08 77.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 108.023 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.596 ' N ' ' CE3' ' A' ' 29' ' ' TRP . 0.0 OUTLIER -42.56 -72.34 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.266 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.07 -47.31 68.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.574 ' HA ' ' CE1' ' A' ' 75' ' ' PHE . 3.5 tt -46.99 -53.59 12.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 35' ' ' HIS . 16.1 ttpt -55.34 -60.19 3.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 33' ' ' LYS . 84.8 m-20 -36.8 -33.16 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.457 ' N ' ' O ' ' A' ' 33' ' ' LYS . 4.4 t60 -80.8 -52.92 6.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.583 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.449 ' N ' ' O ' ' A' ' 33' ' ' LYS . 31.5 mmm -56.49 -40.3 74.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.49 ' O ' ' C ' ' A' ' 38' ' ' GLU . 10.4 mtm180 -40.41 -27.54 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.306 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.49 ' C ' ' O ' ' A' ' 37' ' ' ARG . 4.6 mm-40 -30.92 -40.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.293 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.571 ' HA ' ' CD1' ' A' ' 65' ' ' TYR . . . -65.72 -78.93 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -150.95 -132.73 1.97 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.527 1.142 . . . . 0.0 111.011 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -90.19 123.18 33.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 0.79 . . . . 0.0 109.264 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.432 ' CG2' ' HG2' ' A' ' 37' ' ' ARG . 3.5 t -88.4 124.15 41.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 37.0 t -91.56 -29.02 17.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 108.245 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.579 ' CD1' ' HE1' ' A' ' 54' ' ' MET . 19.4 t80 -138.08 137.34 37.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 111.013 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -152.43 121.08 6.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.333 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -153.5 171.2 19.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.444 HG21 ' N ' ' A' ' 48' ' ' GLN . 1.5 p -139.95 141.26 34.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.444 ' N ' HG21 ' A' ' 47' ' ' VAL . 8.0 mt-30 -107.07 157.5 17.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.115 . . . . 0.0 110.305 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.4 ' O ' ' CB ' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -52.63 173.09 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.4 ' CB ' ' O ' ' A' ' 49' ' ' LYS . 0.9 OUTLIER 74.97 -57.04 0.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 109.307 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 148.31 44.01 0.03 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.53 1.144 . . . . 0.0 110.979 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -106.09 153.27 22.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 0.778 . . . . 0.0 110.995 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -143.44 156.46 26.57 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.526 1.141 . . . . 0.0 110.957 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.579 ' HE1' ' CD1' ' A' ' 44' ' ' TYR . 2.5 ttp -150.43 121.75 7.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 0.749 . . . . 0.0 110.984 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.468 HG21 ' CG2' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -132.28 137.23 54.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.458 ' HG3' ' CE ' ' A' ' 54' ' ' MET . 3.0 mt-10 -115.41 129.75 56.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.305 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.459 ' CE1' ' HB3' ' A' ' 39' ' ' ALA . 45.0 m-85 -98.78 160.24 14.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 18.3 mt -90.02 -19.62 24.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 21.4 mmt180 -118.68 137.54 53.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.152 . . . . 0.0 110.327 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.497 ' HB2' ' CE2' ' A' ' 16' ' ' PHE . 17.0 tttt -56.97 -53.1 61.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -45.98 -54.66 7.97 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.505 1.128 . . . . 0.0 110.287 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.404 ' O ' ' HB1' ' A' ' 39' ' ' ALA . 68.9 m-20 -41.34 -49.05 3.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.441 ' HA ' ' CD2' ' A' ' 57' ' ' TYR . 12.3 ttp -52.9 -68.63 0.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 111.002 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -53.93 -44.25 70.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 110.288 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.571 ' CD1' ' HA ' ' A' ' 39' ' ' ALA . 32.6 t80 -50.58 -67.84 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 111.015 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.409 ' O ' ' HB2' ' A' ' 70' ' ' LEU . . . -56.77 -37.63 71.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.454 ' HG ' ' CG1' ' A' ' 18' ' ' VAL . 19.7 mt -50.78 -59.99 3.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.453 ' O ' ' C ' ' A' ' 69' ' ' LYS . 9.6 mtt85 -71.91 -65.28 0.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.263 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 68' ' ' ARG . 8.1 mptt -35.78 -61.88 0.45 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.622 ' O ' ' C ' ' A' ' 71' ' ' ASP . 21.6 mt -65.56 -63.67 1.04 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.088 . . . . 0.0 109.273 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.622 ' C ' ' O ' ' A' ' 70' ' ' LEU . 33.1 t70 20.33 87.48 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 23.2 t0 65.02 104.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.15 . . . . 0.0 109.317 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.479 ' CG2' ' O ' ' A' ' 70' ' ' LEU . 7.2 p -139.93 169.49 17.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.103 . . . . 0.0 110.381 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 16.7 ttpt -94.1 98.26 10.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.108 . . . . 0.0 109.363 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.574 ' CE1' ' HA ' ' A' ' 32' ' ' LEU . 9.4 t80 -85.96 132.39 34.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 111.002 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.0 ttt180 -109.23 111.11 22.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 99.1 p -68.31 -175.1 0.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.984 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -81.06 -12.63 59.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.632 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -95.87 0.81 52.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 0.0 110.323 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 90.26 -32.17 5.07 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.52 1.137 . . . . 0.0 110.986 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -49.8 115.78 1.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.434 0.726 . . . . 0.0 110.309 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 20.5 p -99.52 152.68 19.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.378 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.2 m -154.84 163.0 40.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 110.02 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -96.27 110.39 22.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.441 HD11 ' CG1' ' A' ' 20' ' ' VAL . 6.7 pt -108.84 129.93 62.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.05 149.92 21.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.286 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.447 HG13 ' CD2' ' A' ' 67' ' ' LEU . 2.2 t -116.73 119.21 61.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.465 ' CD1' ' O ' ' A' ' 19' ' ' LEU . 24.3 p90 -146.62 158.33 46.57 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -173.69 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.515 1.797 . . . . 0.0 110.99 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 110.315 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.471 0.177 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.422 ' NH1' ' HG3' ' A' ' 90' ' ' GLU . 0.3 OUTLIER -136.22 177.02 8.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.284 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.462 ' CG2' HG23 ' A' ' 55' ' ' VAL . 31.5 m -134.96 123.9 41.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.418 HD22 ' CD ' ' A' ' 17' ' ' ARG . 13.0 mt -86.22 120.71 27.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.451 HG12 ' CD2' ' A' ' 23' ' ' LEU . 84.3 t -107.92 138.39 34.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 83.5 p -148.39 128.61 13.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.983 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 127.53 1.06 6.64 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.566 1.166 . . . . 0.0 110.989 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.451 ' CD2' HG12 ' A' ' 20' ' ' VAL . 3.9 mm? -41.03 154.3 0.22 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.471 0.748 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.499 ' HG2' ' CA ' ' A' ' 27' ' ' GLY . 18.4 Cg_endo -74.98 174.92 11.95 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.487 1.783 . . . . 0.0 111.046 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -19.11 18.27 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.468 1.773 . . . . 0.0 111.037 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.0 m -120.77 12.07 11.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.009 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.499 ' CA ' ' HG2' ' A' ' 24' ' ' PRO . . . -57.4 162.98 7.7 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.535 1.147 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.2 m -143.1 149.07 37.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 0.767 . . . . 0.0 109.981 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.569 ' CZ3' ' HG3' ' A' ' 30' ' ' GLN . 48.0 p-90 -65.41 -40.97 94.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 107.992 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.569 ' HG3' ' CZ3' ' A' ' 29' ' ' TRP . 2.3 tt0 -50.02 -68.75 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.288 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.419 ' HB3' ' CE1' ' A' ' 75' ' ' PHE . 0.8 OUTLIER -55.31 -44.1 75.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.565 ' HA ' ' CE1' ' A' ' 75' ' ' PHE . 1.3 tt -50.65 -49.47 56.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.472 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 9.6 tttt -57.77 -60.47 3.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 0.0 109.249 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -40.34 -29.37 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.432 ' N ' ' O ' ' A' ' 33' ' ' LYS . 6.7 t60 -82.75 -64.63 1.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.63 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.433 ' C ' ' N ' ' A' ' 38' ' ' GLU . 29.9 mmm -46.67 -39.37 11.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 111.035 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.485 ' O ' ' C ' ' A' ' 38' ' ' GLU . 4.8 mmm180 -43.76 -24.88 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 110.33 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.485 ' C ' ' O ' ' A' ' 37' ' ' ARG . 0.4 OUTLIER -31.77 -40.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.285 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.575 ' HA ' ' CD1' ' A' ' 65' ' ' TYR . . . -64.55 -78.42 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.108 . . . . 0.0 109.338 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -149.13 -124.75 1.36 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.551 1.157 . . . . 0.0 110.999 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -98.96 124.43 43.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 0.759 . . . . 0.0 109.289 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.47 ' CG1' HG11 ' A' ' 55' ' ' VAL . 21.4 t -92.43 121.43 43.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 0.0 109.261 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 42.9 t -88.67 -29.32 19.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 108.298 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.648 ' CD1' ' CE ' ' A' ' 54' ' ' MET . 12.1 t80 -133.65 134.38 43.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.986 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -152.23 126.77 9.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.462 ' HA ' ' CB ' ' A' ' 29' ' ' TRP . 0.4 OUTLIER -159.15 173.27 16.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.419 HG12 ' N ' ' A' ' 29' ' ' TRP . 2.3 p -141.6 139.32 31.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.41 ' N ' HG21 ' A' ' 47' ' ' VAL . 24.9 mt-30 -105.46 162.68 13.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.328 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.37 174.02 0.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.8 t70 74.05 -57.63 0.61 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.417 1.073 . . . . 0.0 109.306 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 148.6 44.7 0.03 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.462 1.101 . . . . 0.0 110.977 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 2.9 mtp -111.12 164.01 13.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 0.764 . . . . 0.0 111.0 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -158.41 166.74 34.35 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.553 1.158 . . . . 0.0 110.954 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.648 ' CE ' ' CD1' ' A' ' 44' ' ' TYR . 2.3 ttp -154.79 121.58 5.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 0.786 . . . . 0.0 110.974 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.47 HG11 ' CG1' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -129.09 135.07 62.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.272 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.433 ' CG ' ' HE3' ' A' ' 54' ' ' MET . 2.7 mt-10 -113.0 127.58 56.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.246 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.474 ' CD2' ' HA ' ' A' ' 63' ' ' MET . 37.3 m-85 -96.56 153.82 17.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 111.023 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 19.2 mt -84.97 -27.5 26.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -110.08 138.82 45.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 110.304 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 48.3 tttt -58.58 -55.86 29.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.06 -54.3 5.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.299 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.406 ' O ' ' HB3' ' A' ' 39' ' ' ALA . 56.5 m-20 -42.15 -48.7 4.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.474 ' HA ' ' CD2' ' A' ' 57' ' ' TYR . 16.8 ttp -52.6 -67.35 0.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -55.27 -44.29 75.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.269 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.575 ' CD1' ' HA ' ' A' ' 39' ' ' ALA . 29.4 t80 -50.54 -66.96 0.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.998 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.412 ' O ' ' HB2' ' A' ' 70' ' ' LEU . . . -57.27 -38.05 73.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.441 ' HG ' ' CG1' ' A' ' 18' ' ' VAL . 19.0 mt -50.85 -59.07 4.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.257 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.46 ' O ' ' C ' ' A' ' 69' ' ' LYS . 26.6 mmt180 -72.24 -65.95 0.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.31 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 68' ' ' ARG . 3.0 mptp? -35.5 -61.76 0.44 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.544 1.153 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.641 ' O ' ' C ' ' A' ' 71' ' ' ASP . 22.0 mt -65.45 -62.66 1.4 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.641 ' C ' ' O ' ' A' ' 70' ' ' LEU . 31.1 t70 17.09 81.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 12.6 t0 73.32 103.24 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.478 ' CG2' ' O ' ' A' ' 70' ' ' LEU . 18.1 p -140.17 167.79 21.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 110.355 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.9 ttpt -95.64 99.02 10.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.435 1.084 . . . . 0.0 109.276 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.565 ' CE1' ' HA ' ' A' ' 32' ' ' LEU . 11.9 t80 -87.27 119.94 28.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 111.013 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 50.2 ttt180 -96.57 109.71 22.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.31 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 96.4 p -65.74 -173.1 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.592 1.183 . . . . 0.0 110.008 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.528 ' CD2' ' HG2' ' A' ' 79' ' ' GLU . 0.2 OUTLIER -81.76 -10.71 59.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.588 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.528 ' HG2' ' CD2' ' A' ' 78' ' ' HIS . 3.9 mm-40 -96.76 3.04 52.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.112 . . . . 0.0 110.312 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 89.57 -33.26 4.43 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.509 1.131 . . . . 0.0 111.018 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -50.52 132.32 25.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 0.788 . . . . 0.0 110.33 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 65.8 p -118.63 153.55 34.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.132 . . . . 0.0 110.384 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.1 m -152.67 160.83 43.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.012 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -90.98 106.1 18.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.104 . . . . 0.0 111.014 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 3.3 pt -105.84 129.52 58.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.77 155.76 18.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.337 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.414 HG13 ' CD2' ' A' ' 67' ' ' LEU . 2.3 t -122.86 119.47 58.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.346 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 23.9 p90 -148.73 156.74 41.45 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 110.975 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 177.3 8.79 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.55 1.816 . . . . 0.0 111.027 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.422 ' HG3' ' NH1' ' A' ' 17' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.313 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.556 0.217 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.5 HH22 ' N ' ' A' ' 90' ' ' GLU . 0.0 OUTLIER -135.15 179.25 6.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 110.311 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.471 ' CG2' HG21 ' A' ' 55' ' ' VAL . 14.6 m -134.08 148.87 30.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.544 1.153 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.7 mt -99.95 120.9 40.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.41 HG13 ' CD1' ' A' ' 85' ' ' ILE . 76.7 t -105.58 134.67 46.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 11.2 p -140.89 152.69 45.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.019 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 51' ' ' GLY . . . 82.61 45.82 6.67 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.455 1.097 . . . . 0.0 110.957 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.45 ' HG ' ' CG2' ' A' ' 85' ' ' ILE . 3.8 mt -91.39 158.47 40.84 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.538 0.787 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 171.76 17.69 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.446 1.761 . . . . 0.0 111.025 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -23.63 13.59 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.526 1.803 . . . . 0.0 111.031 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.1 m -102.39 -3.8 26.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.036 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -56.39 147.06 32.44 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.524 1.14 . . . . 0.0 110.997 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 m -131.81 -178.22 4.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 0.786 . . . . 0.0 110.037 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.518 ' CE3' ' N ' ' A' ' 30' ' ' GLN . 41.9 p-90 -88.06 -39.4 14.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 107.965 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.518 ' N ' ' CE3' ' A' ' 29' ' ' TRP . 0.3 OUTLIER -50.77 -70.63 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.282 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.2 -38.15 62.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.407 HD23 ' CG ' ' A' ' 36' ' ' MET . 4.8 tt -56.37 -55.27 35.55 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.514 1.133 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.487 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 11.2 ttpt -53.86 -59.46 4.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -41.91 -27.96 0.14 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.429 ' N ' ' C ' ' A' ' 33' ' ' LYS . 6.1 t60 -87.65 -55.46 3.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.566 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.456 ' CE ' ' CD1' ' A' ' 70' ' ' LEU . 28.8 mmm -55.73 -36.83 67.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.998 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.487 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 5.1 mmm180 -43.87 -24.7 0.15 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.324 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.476 ' C ' ' O ' ' A' ' 37' ' ' ARG . 4.5 mm-40 -31.93 -40.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 110.276 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.571 ' HA ' ' CD1' ' A' ' 65' ' ' TYR . . . -62.5 -76.36 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -150.51 -120.14 0.95 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.469 1.105 . . . . 0.0 111.0 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -108.61 122.45 47.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 0.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.471 ' CG1' HG11 ' A' ' 55' ' ' VAL . 6.0 t -85.84 133.2 30.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 37.7 t -93.37 -32.84 14.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 108.31 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.507 ' CZ ' ' HB2' ' A' ' 46' ' ' ASP . 70.6 t80 -144.14 151.22 39.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 111.007 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -152.21 122.55 7.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.334 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.507 ' HB2' ' CZ ' ' A' ' 44' ' ' TYR . 27.3 t0 -133.85 160.22 38.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.258 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 5.7 p -140.82 140.3 33.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -115.4 170.13 8.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.312 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.437 ' O ' ' CB ' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -69.25 179.07 2.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.437 ' CB ' ' O ' ' A' ' 49' ' ' LYS . 1.1 t70 78.04 -58.37 0.46 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.26 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 22' ' ' GLY . . . 146.74 44.58 0.04 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.497 1.123 . . . . 0.0 110.954 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -117.68 153.94 32.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 0.754 . . . . 0.0 110.996 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -144.96 168.92 26.84 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.473 1.108 . . . . 0.0 111.064 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.464 ' HE1' ' CB ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -154.86 130.39 9.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 0.765 . . . . 0.0 110.989 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.471 HG21 ' CG2' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -135.02 131.93 53.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.466 ' CG ' ' HB3' ' A' ' 17' ' ' ARG . 0.9 OUTLIER -105.69 114.72 29.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.307 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.466 ' CD2' ' HA ' ' A' ' 63' ' ' MET . 27.4 m-85 -85.47 169.86 13.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 111.004 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 33.1 mt -109.11 12.2 25.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 109.33 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 24.0 mmt180 -149.39 136.44 19.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.32 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 61.1 tttt -62.07 -57.19 12.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.362 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.85 -50.89 17.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.294 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.401 ' O ' ' HB2' ' A' ' 39' ' ' ALA . 76.0 m-20 -50.66 -45.65 58.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.466 ' HA ' ' CD2' ' A' ' 57' ' ' TYR . 9.6 ttp -52.02 -55.49 20.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 111.042 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.402 ' O ' ' HB2' ' A' ' 67' ' ' LEU . 21.7 mt-10 -65.52 -43.82 88.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 110.298 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.571 ' CD1' ' HA ' ' A' ' 39' ' ' ALA . 13.6 t80 -49.09 -59.19 3.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.99 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.418 ' O ' ' HB2' ' A' ' 70' ' ' LEU . . . -61.0 -39.12 88.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.406 ' HG ' ' CG1' ' A' ' 18' ' ' VAL . 19.2 mt -51.76 -55.62 18.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 109.349 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.457 ' O ' ' C ' ' A' ' 69' ' ' LYS . 0.3 OUTLIER -72.65 -67.48 0.55 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 110.266 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.457 ' C ' ' O ' ' A' ' 68' ' ' ARG . 14.5 mptt -35.99 -61.56 0.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.644 ' O ' ' C ' ' A' ' 71' ' ' ASP . 22.9 mt -64.54 -62.29 1.68 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.237 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.644 ' C ' ' O ' ' A' ' 70' ' ' LEU . 62.5 t0 17.14 71.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.475 ' CB ' ' O ' ' A' ' 71' ' ' ASP . 8.3 t0 81.24 108.59 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.093 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.421 ' CG2' ' HA ' ' A' ' 70' ' ' LEU . 29.1 p -141.82 173.73 11.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.426 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.2 ttmt -96.38 103.81 15.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.324 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.439 ' CD2' HD23 ' A' ' 23' ' ' LEU . 35.1 t80 -94.17 120.82 34.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 111.01 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 39.6 ttt-85 -98.58 115.16 28.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.296 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 32.5 p -68.6 169.77 10.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.992 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -69.54 -14.47 62.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 109.635 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -91.91 4.69 52.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 110.279 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 89.95 -27.38 8.26 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.489 1.118 . . . . 0.0 110.977 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -54.79 136.89 45.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 0.756 . . . . 0.0 110.29 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 24.5 p -116.24 148.74 40.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.413 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 17.0 m -150.45 164.87 34.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.044 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -103.32 111.2 23.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 111.042 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.45 ' CG2' ' HG ' ' A' ' 23' ' ' LEU . 3.7 pt -108.61 130.09 61.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 109.316 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.2 mmm-85 -90.95 145.01 25.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.277 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.1 t -111.13 115.05 48.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.549 1.155 . . . . 0.0 109.282 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 19.4 p90 -144.02 161.66 44.4 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.98 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -166.81 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.518 1.799 . . . . 0.0 111.009 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.5 ' N ' HH22 ' A' ' 17' ' ' ARG . 28.2 tt0 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 110.274 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.559 ' CZ ' ' HB2' ' A' ' 60' ' ' LYS . 47.1 m-85 . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 120.499 0.19 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.5 ptp85 -136.69 163.33 30.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.314 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.482 ' CG2' HG22 ' A' ' 55' ' ' VAL . 27.5 m -120.72 125.76 74.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.335 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.533 ' O ' ' CE1' ' A' ' 88' ' ' TYR . 8.3 mt -81.98 118.88 23.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.553 1.158 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.422 ' O ' ' N ' ' A' ' 53' ' ' GLY . 19.8 t -107.12 134.83 47.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.346 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 89.2 p -141.42 145.27 35.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.028 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 51' ' ' GLY . . . 97.31 29.84 7.69 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.521 1.138 . . . . 0.0 111.022 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.401 HD21 ' CD2' ' A' ' 75' ' ' PHE . 9.3 mt -77.65 157.65 79.45 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.515 0.773 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 173.18 14.96 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.526 1.803 . . . . 0.0 110.968 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -19.39 17.86 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.471 1.774 . . . . 0.0 110.977 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 12.8 t -107.32 -12.29 15.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.995 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -47.63 123.61 8.93 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.492 1.12 . . . . 0.0 111.033 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.9 m -111.21 161.39 16.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 0.734 . . . . 0.0 109.983 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.597 ' CE3' ' N ' ' A' ' 30' ' ' GLN . 42.4 p-90 -66.69 -43.86 83.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 108.02 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.597 ' N ' ' CE3' ' A' ' 29' ' ' TRP . 0.0 OUTLIER -44.34 -74.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 110.271 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -49.83 -45.86 50.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.457 ' HA ' ' CE1' ' A' ' 75' ' ' PHE . 5.9 tt -49.43 -56.32 10.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.487 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 13.0 ttpt -51.44 -61.05 2.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.581 1.176 . . . . 0.0 109.35 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -41.12 -29.02 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.271 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.422 ' N ' ' C ' ' A' ' 33' ' ' LYS . 5.9 t60 -85.83 -58.45 2.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.577 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.437 ' C ' ' N ' ' A' ' 38' ' ' GLU . 27.8 mmm -52.75 -39.7 62.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 111.004 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.487 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 0.3 OUTLIER -41.1 -26.78 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.33 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.478 ' C ' ' O ' ' A' ' 37' ' ' ARG . 3.7 mm-40 -31.69 -40.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.324 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.599 ' HA ' ' CD1' ' A' ' 65' ' ' TYR . . . -60.91 -75.97 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -153.44 -108.18 0.33 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.457 1.098 . . . . 0.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -114.68 130.44 56.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 0.794 . . . . 0.0 109.32 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.455 ' CG1' HG13 ' A' ' 55' ' ' VAL . 4.0 t -97.95 121.75 48.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 109.356 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 17.7 p -88.08 -32.39 18.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 108.323 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -138.45 144.39 40.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 111.028 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -150.79 112.95 4.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -132.7 163.75 28.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 25.7 t -141.98 145.55 23.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.31 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -114.9 170.2 8.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.333 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.63 -178.77 0.58 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.3 t0 72.82 -58.81 0.59 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.354 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' A' ' 22' ' ' GLY . . . 148.06 43.51 0.03 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.468 1.105 . . . . 0.0 111.034 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 6.3 mtt -108.89 159.0 17.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 0.778 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -148.63 161.07 28.58 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.487 1.117 . . . . 0.0 110.986 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -152.38 120.03 6.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 0.73 . . . . 0.0 110.978 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.482 HG22 ' CG2' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -129.43 140.71 48.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.117 . . . . 0.0 109.29 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -111.45 140.4 46.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 110.282 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.5 ' CZ ' ' HB3' ' A' ' 39' ' ' ALA . 37.4 m-85 -113.18 149.91 32.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 110.994 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -86.6 3.82 42.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.348 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.0 mtp180 -139.16 127.94 23.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.325 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.559 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 76.8 tttt -58.04 -52.38 65.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -53.46 -46.92 70.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.148 . . . . 0.0 110.27 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.424 ' O ' ' HB2' ' A' ' 39' ' ' ALA . 23.0 m-20 -53.67 -34.79 59.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.499 ' HA ' ' CD2' ' A' ' 57' ' ' TYR . 0.0 OUTLIER -61.06 -55.62 30.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 110.978 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.415 ' O ' ' HB2' ' A' ' 67' ' ' LEU . 20.0 mt-10 -63.12 -39.11 93.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.354 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.599 ' CD1' ' HA ' ' A' ' 39' ' ' ALA . 24.7 t80 -50.81 -65.15 0.61 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.138 . . . . 0.0 110.971 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.437 ' O ' ' HB2' ' A' ' 70' ' ' LEU . . . -57.03 -38.27 72.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.344 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.472 ' HG ' ' CG1' ' A' ' 18' ' ' VAL . 24.3 mt -51.49 -58.59 5.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.446 ' O ' ' C ' ' A' ' 69' ' ' LYS . 14.8 mmt85 -71.08 -66.23 0.64 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.288 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.456 ' HD3' ' CD2' ' A' ' 65' ' ' TYR . 0.1 OUTLIER -36.58 -63.27 0.41 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.333 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.634 ' O ' ' C ' ' A' ' 71' ' ' ASP . 25.1 mt -62.77 -63.52 1.19 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.27 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.634 ' C ' ' O ' ' A' ' 70' ' ' LEU . 39.1 t0 18.21 92.0 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.421 ' HB3' ' O ' ' A' ' 71' ' ' ASP . 20.8 t70 62.58 100.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.473 ' CG2' ' O ' ' A' ' 70' ' ' LEU . 5.0 p -133.37 174.14 10.72 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.535 1.147 . . . . 0.0 110.367 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.6 ttmt -102.32 99.18 9.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.457 ' CE1' ' HA ' ' A' ' 32' ' ' LEU . 40.4 t80 -91.29 129.43 37.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.135 . . . . 0.0 111.0 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.2 ttp180 -112.09 121.54 45.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.301 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 52.2 p -78.01 179.32 6.86 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 110.04 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.407 ' CD2' ' C ' ' A' ' 78' ' ' HIS . 1.7 p-80 -74.86 -3.26 30.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.449 1.093 . . . . 0.0 109.563 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -99.45 16.65 22.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.316 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 64.74 9.31 38.35 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.454 1.096 . . . . 0.0 111.012 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.428 ' HG3' ' N ' ' A' ' 82' ' ' THR . 2.7 tt0 -86.17 137.12 32.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 0.776 . . . . 0.0 110.281 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.428 ' N ' ' HG3' ' A' ' 81' ' ' GLU . 11.7 p -118.61 147.63 43.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.356 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.3 p -158.89 148.6 19.13 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 109.976 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -83.22 118.53 23.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.442 1.089 . . . . 0.0 110.967 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 7.5 pt -116.58 131.08 70.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.256 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.19 152.82 20.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.26 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.1 t -121.72 114.77 44.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.533 ' CE1' ' O ' ' A' ' 19' ' ' LEU . 9.1 p90 -142.24 157.62 62.89 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 111.048 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 179.66 5.87 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.514 1.797 . . . . 0.0 110.983 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.295 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.566 ' CE1' ' HB2' ' A' ' 60' ' ' LYS . 7.8 m-85 . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.547 0.213 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.583 ' CG ' ' HG2' ' A' ' 56' ' ' GLU . 21.6 mtt85 -98.96 166.62 11.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.313 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.47 ' CG2' HG22 ' A' ' 55' ' ' VAL . 9.4 m -136.69 117.57 18.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.472 ' HB2' ' CD2' ' A' ' 88' ' ' TYR . 10.7 mt -82.34 132.79 35.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.26 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.447 ' CG1' HD13 ' A' ' 85' ' ' ILE . 43.6 t -126.3 133.8 67.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.9 m -136.09 154.69 50.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 110.03 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 51' ' ' GLY . . . 92.69 34.89 6.69 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.525 1.141 . . . . 0.0 110.976 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.2 mt -87.14 157.77 53.43 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.521 0.777 . . . . 0.0 109.289 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 170.45 20.4 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.493 1.786 . . . . 0.0 111.005 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -19.01 18.28 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.477 1.777 . . . . 0.0 110.998 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.2 m -104.59 -3.3 24.0 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 109.999 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -55.54 148.01 27.15 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.462 1.101 . . . . 0.0 111.026 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.6 m -128.01 178.55 6.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 0.772 . . . . 0.0 109.982 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.518 ' CZ3' ' HG3' ' A' ' 30' ' ' GLN . 63.4 p-90 -87.62 -45.89 10.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.13 . . . . 0.0 107.997 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.518 ' HG3' ' CZ3' ' A' ' 29' ' ' TRP . 27.8 mt-30 -47.53 -65.63 0.53 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 110.3 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -55.13 -39.86 69.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.514 ' C ' ' CD2' ' A' ' 32' ' ' LEU . 0.8 OUTLIER -57.68 -48.53 79.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.492 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 10.2 ttpt -57.43 -57.02 14.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.405 ' HA ' ' HG3' ' A' ' 37' ' ' ARG . 80.7 m-20 -44.89 -25.42 0.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.426 ' N ' ' C ' ' A' ' 33' ' ' LYS . 5.7 t60 -88.05 -51.03 6.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.611 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.443 ' C ' ' N ' ' A' ' 38' ' ' GLU . 26.7 mmm -60.54 -41.08 93.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 111.022 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.492 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 6.3 mtm180 -41.12 -26.99 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.287 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.482 ' C ' ' O ' ' A' ' 37' ' ' ARG . 0.4 OUTLIER -31.39 -40.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 110.311 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.595 ' HA ' ' CD1' ' A' ' 65' ' ' TYR . . . -64.43 -81.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -143.35 -120.34 1.49 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.454 1.096 . . . . 0.0 111.023 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -103.75 139.96 38.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 0.768 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.459 ' CG1' HG13 ' A' ' 55' ' ' VAL . 3.5 t -111.2 127.07 68.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 0.0 109.303 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 41.1 t -99.51 -27.54 13.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.436 1.085 . . . . 0.0 108.293 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.57 ' CD2' ' HE1' ' A' ' 54' ' ' MET . 50.6 t80 -130.75 142.96 50.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -152.63 115.21 4.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.327 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -133.82 162.58 31.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 109.328 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.1 p -141.16 138.46 33.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.259 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -109.05 160.04 16.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 110.321 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.26 -178.97 0.4 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.8 t0 73.86 -58.71 0.58 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.437 ' O ' ' N ' ' A' ' 22' ' ' GLY . . . 152.44 43.92 0.02 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.499 1.124 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -110.31 159.33 17.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 0.78 . . . . 0.0 111.007 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -151.89 158.99 28.08 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.475 1.109 . . . . 0.0 111.024 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.57 ' HE1' ' CD2' ' A' ' 44' ' ' TYR . 2.1 ttp -149.95 148.41 29.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 0.749 . . . . 0.0 111.02 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.47 HG22 ' CG2' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -153.87 156.56 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.256 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.583 ' HG2' ' CG ' ' A' ' 17' ' ' ARG . 47.2 mt-10 -122.82 142.35 50.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.324 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.556 ' CD2' ' HA ' ' A' ' 63' ' ' MET . 15.8 m-85 -118.04 145.03 45.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 111.011 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -88.3 10.34 20.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 7.0 mmt180 -147.73 131.89 17.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.342 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.566 ' HB2' ' CE1' ' A' ' 16' ' ' PHE . 31.8 tttt -60.89 -58.32 8.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -48.6 -56.04 9.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.324 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.403 ' O ' ' CB ' ' A' ' 39' ' ' ALA . 75.2 m-20 -47.07 -29.48 2.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.556 ' HA ' ' CD2' ' A' ' 57' ' ' TYR . 0.0 OUTLIER -67.52 -68.55 0.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.983 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -46.68 -40.46 13.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.281 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.595 ' CD1' ' HA ' ' A' ' 39' ' ' ALA . 26.3 t80 -49.91 -64.57 0.77 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 111.032 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.49 ' CB ' ' HB3' ' A' ' 39' ' ' ALA . . . -57.48 -40.04 77.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 28.1 mt -50.12 -57.79 6.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.289 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.474 ' O ' ' C ' ' A' ' 69' ' ' LYS . 6.9 mmp_? -72.49 -67.9 0.52 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 110.304 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.474 ' C ' ' O ' ' A' ' 68' ' ' ARG . 10.1 mptt -34.48 -61.78 0.37 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.691 ' O ' ' C ' ' A' ' 71' ' ' ASP . 21.8 mt -63.79 -59.59 4.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.691 ' C ' ' O ' ' A' ' 70' ' ' LEU . 46.4 t0 9.45 77.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.5 ' CB ' ' O ' ' A' ' 71' ' ' ASP . 5.9 t0 81.76 102.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.48 ' CG2' ' HA ' ' A' ' 70' ' ' LEU . 21.1 p -135.97 172.56 12.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.43 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 16.7 tttt -100.68 100.04 10.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -88.81 139.96 29.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.988 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -110.92 111.79 23.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 110.297 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.7 p -63.83 162.03 14.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.133 . . . . 0.0 110.003 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.412 ' CD2' ' HG2' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -65.93 -13.17 59.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.579 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.412 ' HG2' ' CD2' ' A' ' 78' ' ' HIS . 4.8 mm-40 -93.21 -6.16 48.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 110.313 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 102.12 -30.51 10.23 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.488 1.118 . . . . 0.0 110.995 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -51.35 133.97 28.62 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.47 0.747 . . . . 0.0 110.276 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.1 p -110.6 149.95 29.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 110.391 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 49.7 m -158.89 154.48 26.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 110.024 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -89.36 119.86 30.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.447 HD13 ' CG1' ' A' ' 20' ' ' VAL . 7.2 pt -114.48 131.69 65.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.262 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.22 151.99 20.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 110.253 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.3 t -118.95 121.09 65.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.356 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.472 ' CD2' ' HB2' ' A' ' 19' ' ' LEU . 10.8 p90 -146.31 158.23 47.87 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 111.035 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 177.88 8.0 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.457 1.767 . . . . 0.0 111.003 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 110.28 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.534 0.207 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 30.2 ptt-85 -137.08 164.0 29.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 0.0 110.306 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.462 ' CG2' HG23 ' A' ' 55' ' ' VAL . 27.2 m -122.74 135.5 62.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.602 ' O ' ' CE1' ' A' ' 88' ' ' TYR . 0.9 OUTLIER -94.41 114.35 26.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.316 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 93.2 t -94.81 133.99 33.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 9.6 p -138.78 141.9 38.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 110.019 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 51' ' ' GLY . . . 96.83 34.84 5.57 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.47 1.106 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.439 HD23 ' CD2' ' A' ' 75' ' ' PHE . 5.5 mt -82.07 156.74 69.33 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.479 0.752 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 171.61 17.96 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.436 1.756 . . . . 0.0 110.996 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -17.83 19.16 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.462 1.77 . . . . 0.0 111.012 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.6 t -106.86 -20.74 13.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.157 . . . . 0.0 110.011 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -38.08 142.42 0.32 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.459 1.099 . . . . 0.0 110.974 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -126.69 171.15 11.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 0.736 . . . . 0.0 109.992 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.631 ' CE3' ' N ' ' A' ' 30' ' ' GLN . 48.8 p-90 -76.91 -48.52 18.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 108.008 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.631 ' N ' ' CE3' ' A' ' 29' ' ' TRP . 5.2 tm0? -45.03 -61.29 1.69 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.306 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -57.14 -44.84 83.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.268 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.458 HD21 ' CG ' ' A' ' 36' ' ' MET . 2.1 tt -54.6 -52.61 61.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.264 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.429 ' C ' ' N ' ' A' ' 35' ' ' HIS . 9.9 tttt -52.29 -63.63 1.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 109.261 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.401 ' HA ' ' HG3' ' A' ' 37' ' ' ARG . 90.7 m-20 -41.06 -28.92 0.1 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.464 1.103 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.429 ' N ' ' C ' ' A' ' 33' ' ' LYS . 6.4 t60 -85.88 -54.33 4.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.626 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.458 ' CG ' HD21 ' A' ' 32' ' ' LEU . 27.6 mmm -56.56 -40.83 75.82 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.561 1.163 . . . . 0.0 110.96 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.461 ' O ' ' C ' ' A' ' 38' ' ' GLU . 5.8 mmm-85 -40.15 -27.85 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.287 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 37' ' ' ARG . 3.7 mm-40 -33.1 -39.53 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.289 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.609 ' HA ' ' CD1' ' A' ' 65' ' ' TYR . . . -61.96 -74.19 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -158.99 -114.98 0.4 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -101.93 131.06 48.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 0.793 . . . . 0.0 109.328 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.411 ' CG1' HG11 ' A' ' 55' ' ' VAL . 3.3 t -108.09 123.12 63.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.155 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 18.7 t -102.49 -29.14 11.78 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.501 1.126 . . . . 0.0 108.329 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.504 ' CD1' ' HE2' ' A' ' 54' ' ' MET . 14.3 t80 -119.02 134.57 55.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 110.96 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -152.46 112.44 4.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.325 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -142.47 150.17 40.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 75.3 t -141.05 140.82 32.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -118.57 170.1 9.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.151 . . . . 0.0 110.32 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.3 -171.55 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 72.76 -59.37 0.57 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 22' ' ' GLY . . . 140.99 44.26 0.06 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.532 1.145 . . . . 0.0 110.97 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -122.35 140.36 52.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 0.79 . . . . 0.0 111.003 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -132.52 165.63 23.68 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.509 1.13 . . . . 0.0 111.028 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.504 ' HE2' ' CD1' ' A' ' 44' ' ' TYR . 2.0 ttp -151.24 130.68 12.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 0.774 . . . . 0.0 110.956 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.462 HG23 ' CG2' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -138.14 146.49 26.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.339 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.42 ' HB2' ' CB ' ' A' ' 44' ' ' TYR . 5.5 mt-10 -119.24 146.61 45.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 110.305 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.613 ' CD1' ' CG ' ' A' ' 62' ' ' ASP . 55.5 m-85 -122.0 156.3 33.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.972 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -94.08 16.7 13.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.275 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 13.9 mmt180 -147.34 137.38 23.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 110.279 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -65.06 -57.92 7.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -48.29 -47.07 36.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 110.274 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.613 ' CG ' ' CD1' ' A' ' 57' ' ' TYR . 1.3 t0 -49.63 -44.23 47.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.32 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.94 -58.77 6.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.157 . . . . 0.0 111.016 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -58.89 -42.4 89.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 110.263 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.609 ' CD1' ' HA ' ' A' ' 39' ' ' ALA . 30.4 t80 -50.45 -67.04 0.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.163 . . . . 0.0 111.014 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.457 ' CB ' ' HB1' ' A' ' 39' ' ' ALA . . . -55.6 -40.36 71.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.577 1.173 . . . . 0.0 109.349 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.406 ' O ' ' HB2' ' A' ' 71' ' ' ASP . 23.4 mt -49.52 -59.38 3.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.469 ' O ' ' C ' ' A' ' 69' ' ' LYS . 3.7 mmp_? -71.35 -67.64 0.5 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.282 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.469 ' C ' ' O ' ' A' ' 68' ' ' ARG . 0.3 OUTLIER -34.81 -63.62 0.3 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.65 ' O ' ' C ' ' A' ' 71' ' ' ASP . 27.0 mt -63.01 -62.49 1.68 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.65 ' C ' ' O ' ' A' ' 70' ' ' LEU . 64.5 t0 16.21 88.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 12.5 t0 67.26 100.98 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 109.278 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.476 ' CG2' ' O ' ' A' ' 70' ' ' LEU . 11.7 p -135.22 168.06 19.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 110.368 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.6 ttpt -96.94 98.75 10.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.282 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.439 ' CD2' HD23 ' A' ' 23' ' ' LEU . 32.3 t80 -89.08 132.35 34.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -102.46 115.54 30.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 110.278 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 24.2 p -67.35 168.32 10.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 110.013 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.597 ' O ' ' CD2' ' A' ' 78' ' ' HIS . 1.3 t60 -68.07 -12.09 60.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.574 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -97.32 5.75 49.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.15 . . . . 0.0 110.312 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 90.08 -37.13 3.4 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.543 1.152 . . . . 0.0 110.996 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -48.85 122.59 5.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 0.736 . . . . 0.0 110.292 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 20.0 p -99.14 155.88 17.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 110.442 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 7.8 m -155.55 159.63 39.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 110.012 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -92.17 113.31 25.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.993 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 12.4 pt -108.02 132.83 54.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 109.267 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 -97.95 154.14 17.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.279 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.0 t -125.02 123.33 65.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.602 ' CE1' ' O ' ' A' ' 19' ' ' LEU . 35.6 p90 -153.22 156.51 32.61 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 0.0 111.017 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 174.53 12.63 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.499 1.789 . . . . 0.0 110.955 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.48 ' CB ' HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.3 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.505 ' CE2' ' HB2' ' A' ' 60' ' ' LYS . 22.1 m-85 . . . . . 0 N--CA 1.454 -0.263 0 CA-C-O 120.495 0.188 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.422 ' NH2' ' OE1' ' A' ' 90' ' ' GLU . 10.7 ptt180 -136.51 166.84 22.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.25 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.472 ' CG1' ' HG ' ' A' ' 67' ' ' LEU . 27.3 m -120.42 129.27 75.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.54 ' O ' ' CD1' ' A' ' 88' ' ' TYR . 15.9 mt -87.9 122.93 32.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.449 ' CG1' HD13 ' A' ' 85' ' ' ILE . 72.5 t -114.0 134.83 55.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.363 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 56.0 p -143.65 126.04 15.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.003 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 135.51 -6.17 4.2 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.496 1.123 . . . . 0.0 111.041 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.477 HD11 ' CG2' ' A' ' 85' ' ' ILE . 3.3 mm? -40.19 151.65 0.24 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.455 0.738 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.404 ' HD2' ' HA3' ' A' ' 27' ' ' GLY . 18.2 Cg_endo -75.0 174.1 13.37 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.52 1.8 . . . . 0.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -15.71 20.52 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.561 1.821 . . . . 0.0 110.993 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.4 m -120.63 8.42 10.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.021 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.404 ' HA3' ' HD2' ' A' ' 24' ' ' PRO . . . -61.44 163.9 21.38 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.499 1.124 . . . . 0.0 111.044 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 64.9 m -142.95 163.5 32.63 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.473 0.749 . . . . 0.0 110.067 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.487 ' CH2' ' HG3' ' A' ' 30' ' ' GLN . 59.8 p-90 -75.24 -47.76 26.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 107.983 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.487 ' HG3' ' CH2' ' A' ' 29' ' ' TRP . 50.6 mt-30 -38.9 -70.26 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.276 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.445 ' HB3' ' CE1' ' A' ' 75' ' ' PHE . 0.1 OUTLIER -52.51 -48.42 66.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.562 1.163 . . . . 0.0 109.278 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.562 ' HA ' ' CE1' ' A' ' 75' ' ' PHE . 4.6 tt -48.15 -53.13 17.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.466 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 1.9 tttt -53.59 -65.89 0.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 33' ' ' LYS . 54.3 m-20 -38.98 -30.51 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.337 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.447 ' N ' ' O ' ' A' ' 33' ' ' LYS . 4.2 t60 -83.9 -61.52 1.8 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 109.573 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.469 ' CG ' HD22 ' A' ' 32' ' ' LEU . 24.6 mmm -49.6 -39.61 36.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 0.0 110.997 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.48 ' O ' ' C ' ' A' ' 38' ' ' GLU . 4.6 mmm180 -41.91 -25.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.48 ' C ' ' O ' ' A' ' 37' ' ' ARG . 0.4 OUTLIER -31.85 -40.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.317 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.575 ' HA ' ' CD1' ' A' ' 65' ' ' TYR . . . -60.97 -81.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -146.77 -111.57 0.68 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.498 1.124 . . . . 0.0 111.014 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -108.68 128.75 55.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 0.773 . . . . 0.0 109.277 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.456 ' CG2' ' HA ' ' A' ' 37' ' ' ARG . 11.7 t -102.63 116.61 46.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.337 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 15.1 t -95.53 -23.73 16.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 108.325 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.596 ' CD2' ' OE2' ' A' ' 56' ' ' GLU . 18.2 t80 -129.14 131.89 47.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.98 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -152.52 116.47 4.86 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -145.45 163.61 34.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.403 HG22 ' N ' ' A' ' 48' ' ' GLN . 2.3 p -142.07 142.78 27.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.575 1.172 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.403 ' N ' HG22 ' A' ' 47' ' ' VAL . 2.4 mt-30 -113.66 157.93 21.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.292 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.8 -178.84 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 0.0 109.325 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.2 t70 71.16 -58.55 0.57 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.272 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 145.99 54.43 0.02 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -118.18 158.94 24.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 0.751 . . . . 0.0 111.003 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -151.87 159.58 28.38 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.482 1.114 . . . . 0.0 110.987 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.555 ' HE2' ' CD1' ' A' ' 44' ' ' TYR . 2.3 ttp -153.53 117.47 4.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 0.766 . . . . 0.0 111.006 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.457 HG21 ' CG2' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -126.45 139.38 51.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.596 ' OE2' ' CD2' ' A' ' 44' ' ' TYR . 48.6 mt-10 -105.59 153.06 22.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.298 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.568 ' CD2' ' HA ' ' A' ' 63' ' ' MET . 24.4 m-85 -127.42 140.64 52.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.987 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -85.88 9.78 15.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.6 mmt180 -143.73 136.36 27.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.244 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.505 ' HB2' ' CE2' ' A' ' 16' ' ' PHE . 72.8 tttt -62.56 -57.08 12.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -46.72 -51.22 16.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 110.26 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.423 ' O ' ' HB3' ' A' ' 65' ' ' TYR . 74.7 m-20 -46.34 -50.06 16.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.568 ' HA ' ' CD2' ' A' ' 57' ' ' TYR . 18.6 ttp -51.97 -61.54 2.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 111.03 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -59.2 -44.32 92.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.325 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.575 ' CD1' ' HA ' ' A' ' 39' ' ' ALA . 22.2 t80 -50.06 -64.16 0.89 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.983 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.41 ' O ' ' HB2' ' A' ' 70' ' ' LEU . . . -58.35 -38.74 77.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.564 1.165 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.472 ' HG ' ' CG1' ' A' ' 18' ' ' VAL . 19.3 mt -51.02 -57.34 8.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.261 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.465 ' O ' ' C ' ' A' ' 69' ' ' LYS . 3.3 mmp_? -73.08 -67.08 0.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.313 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.465 ' C ' ' O ' ' A' ' 68' ' ' ARG . 0.1 OUTLIER -34.86 -60.22 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.639 ' O ' ' C ' ' A' ' 71' ' ' ASP . 21.5 mt -66.87 -62.81 1.25 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.639 ' C ' ' O ' ' A' ' 70' ' ' LEU . 35.3 t70 17.67 88.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 37.0 t0 64.97 105.92 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.149 . . . . 0.0 109.275 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.483 ' CG2' ' O ' ' A' ' 70' ' ' LEU . 5.6 p -140.59 176.07 9.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 110.367 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.0 ttpt -100.41 98.44 9.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 109.307 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.562 ' CE1' ' HA ' ' A' ' 32' ' ' LEU . 21.2 t80 -85.38 133.77 34.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.994 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.2 ttt-85 -108.07 113.72 27.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 0.0 110.298 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 33.2 p -69.37 177.23 2.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 110.0 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.483 ' CD2' ' HG2' ' A' ' 79' ' ' GLU . 0.1 OUTLIER -75.91 -15.15 60.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.594 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.483 ' HG2' ' CD2' ' A' ' 78' ' ' HIS . 4.1 mm-40 -90.38 -1.17 57.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.326 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 94.79 -31.36 6.95 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.508 1.13 . . . . 0.0 111.041 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -50.09 137.45 17.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 0.781 . . . . 0.0 110.274 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 20.2 p -120.05 141.3 49.87 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.475 1.109 . . . . 0.0 110.406 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.0 m -142.58 174.96 10.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.012 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -106.19 118.96 37.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 111.004 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.477 ' CG2' HD11 ' A' ' 23' ' ' LEU . 8.9 pt -120.42 134.05 65.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.18 158.91 15.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.317 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.6 t -123.72 112.46 33.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.438 1.086 . . . . 0.0 109.273 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.54 ' CD1' ' O ' ' A' ' 19' ' ' LEU . 11.8 p90 -138.01 158.68 70.79 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 110.985 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -179.3 4.86 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.483 1.781 . . . . 0.0 111.03 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.422 ' OE1' ' NH2' ' A' ' 17' ' ' ARG . 6.7 tt0 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.2 m -152.73 -56.92 0.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 0.762 . . . . 0.0 110.008 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.4 t 62.8 131.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 110.004 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.21 106.31 0.23 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.462 1.101 . . . . 0.0 111.02 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -142.58 154.39 44.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 0.766 . . . . 0.0 110.031 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 m -68.05 -58.47 4.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 110.016 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -48.75 -86.01 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.53 1.144 . . . . 0.0 111.016 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 68.46 68.72 1.56 Allowed Glycine 0 CA--C 1.531 1.049 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 172.23 16.77 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.533 1.807 . . . . 0.0 110.997 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 76.55 3.38 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.506 1.793 . . . . 0.0 110.972 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 11.7 t -93.72 149.34 21.31 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.512 1.133 . . . . 0.0 110.384 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -119.06 87.85 2.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.321 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.7 mmm180 -53.38 -25.57 16.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 110.271 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 17.3 m -143.3 174.79 10.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.999 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -105.79 -41.36 5.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -75.55 104.94 6.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.98 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.55 178.13 6.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 110.314 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.405 ' CG2' HG23 ' A' ' 55' ' ' VAL . 14.7 m -139.12 123.06 19.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.239 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 20.3 mt -83.59 126.5 32.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.46 HG12 ' CD1' ' A' ' 85' ' ' ILE . 40.4 t -114.05 128.17 71.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 109.261 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -135.76 148.37 48.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.049 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 51' ' ' GLY . . . 95.42 30.99 7.77 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.506 1.129 . . . . 0.0 111.006 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.409 HD22 ' CD2' ' A' ' 75' ' ' PHE . 2.9 mt -77.3 157.59 80.47 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.51 0.77 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 169.55 22.35 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.485 1.782 . . . . 0.0 111.011 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -13.91 21.37 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.453 1.765 . . . . 0.0 110.977 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.4 m -111.82 -10.25 14.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.002 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -52.47 147.67 13.45 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.478 1.111 . . . . 0.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 78.8 p -127.62 -177.87 4.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 0.787 . . . . 0.0 109.991 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.524 ' CZ3' ' HG2' ' A' ' 30' ' ' GLN . 44.7 p-90 -92.2 -31.14 15.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 107.977 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.524 ' HG2' ' CZ3' ' A' ' 29' ' ' TRP . 91.4 mt-30 -56.76 -64.11 0.98 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.473 1.108 . . . . 0.0 110.313 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.09 -43.05 95.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.249 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.47 ' C ' ' CD2' ' A' ' 32' ' ' LEU . 2.2 tt -52.28 -51.25 59.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.502 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 4.8 tttt -56.23 -62.2 1.87 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.142 . . . . 0.0 109.322 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -41.27 -28.47 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.418 ' N ' ' O ' ' A' ' 33' ' ' LYS . 4.7 t60 -83.93 -61.31 1.85 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.574 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.428 ' C ' ' N ' ' A' ' 38' ' ' GLU . 27.6 mmm -50.6 -39.46 49.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 110.981 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.502 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 1.4 mmm180 -43.91 -24.81 0.16 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 110.306 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.49 ' C ' ' O ' ' A' ' 37' ' ' ARG . 5.2 mm-40 -31.65 -40.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.299 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.569 ' HA ' ' CD1' ' A' ' 65' ' ' TYR . . . -64.82 -81.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -142.11 -119.0 1.44 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.442 1.089 . . . . 0.0 110.966 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.41 ' O ' ' CD1' ' A' ' 58' ' ' LEU . 8.1 t0 -106.82 134.56 49.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 0.756 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.469 ' CG1' HG11 ' A' ' 55' ' ' VAL . 15.6 t -100.35 119.16 48.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 23.2 p -92.35 -24.86 18.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 108.29 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.568 ' CD1' ' HE2' ' A' ' 54' ' ' MET . 17.1 t80 -131.16 136.64 48.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 110.99 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -152.2 111.85 3.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -139.3 153.23 47.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.341 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 14.7 p -141.85 143.83 26.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -124.76 170.3 11.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.322 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.99 -171.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 73.46 -59.68 0.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.427 ' O ' ' N ' ' A' ' 22' ' ' GLY . . . 141.0 45.19 0.06 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.5 1.125 . . . . 0.0 110.955 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -119.84 160.99 21.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 0.775 . . . . 0.0 110.981 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -154.47 173.33 32.96 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.469 1.106 . . . . 0.0 110.99 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.568 ' HE2' ' CD1' ' A' ' 44' ' ' TYR . 2.6 ttp -155.08 133.53 11.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.543 0.79 . . . . 0.0 110.937 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.469 HG11 ' CG1' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -139.18 141.15 36.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.266 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.431 ' CG ' ' HE3' ' A' ' 54' ' ' MET . 3.0 mt-10 -121.44 135.17 55.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 110.315 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.492 ' CZ ' ' HB1' ' A' ' 39' ' ' ALA . 38.4 m-85 -104.46 168.67 8.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.568 1.168 . . . . 0.0 111.009 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.41 ' CD1' ' O ' ' A' ' 41' ' ' ASP . 3.7 mp -96.82 -17.67 20.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 32.7 mmt180 -122.09 145.5 48.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.338 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 32.8 tttt -63.29 -55.11 27.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.36 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -43.24 -50.92 6.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.335 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.405 ' O ' ' HB3' ' A' ' 39' ' ' ALA . 87.9 m-20 -44.15 -51.77 7.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.25 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.468 ' HG2' ' CD1' ' A' ' 67' ' ' LEU . 9.8 ttp -51.64 -67.16 0.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.989 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -53.69 -46.39 70.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.113 . . . . 0.0 110.24 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.569 ' CD1' ' HA ' ' A' ' 39' ' ' ALA . 28.7 t80 -50.09 -66.03 0.46 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 111.019 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.409 ' O ' ' HB2' ' A' ' 70' ' ' LEU . . . -57.79 -38.08 74.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.468 ' CD1' ' HG2' ' A' ' 63' ' ' MET . 19.7 mt -50.87 -58.1 6.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.258 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.455 ' O ' ' C ' ' A' ' 69' ' ' LYS . 7.2 mmt180 -72.9 -66.33 0.68 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.284 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.455 ' C ' ' O ' ' A' ' 68' ' ' ARG . 13.9 mptt -35.56 -61.1 0.47 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.635 ' O ' ' C ' ' A' ' 71' ' ' ASP . 21.2 mt -66.22 -62.09 1.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.259 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.635 ' C ' ' O ' ' A' ' 70' ' ' LEU . 34.0 t70 17.96 88.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 44.3 t0 63.96 106.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.429 1.081 . . . . 0.0 109.281 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.47 ' CG2' ' O ' ' A' ' 70' ' ' LEU . 5.4 p -140.46 170.2 16.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 0.0 110.407 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 21.9 tttt -95.72 99.3 11.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.455 ' CE1' ' HA ' ' A' ' 32' ' ' LEU . 44.6 t80 -89.48 129.64 35.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.942 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.6 ttt180 -98.83 121.42 40.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 110.294 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 52.7 p -72.87 178.51 4.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 110.017 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -79.08 -6.6 56.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.587 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -104.28 12.65 33.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 0.0 110.317 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 87.8 -41.57 3.08 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.559 1.162 . . . . 0.0 111.032 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -43.46 165.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 0.75 . . . . 0.0 110.288 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 67.8 p -141.5 165.9 26.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.399 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 37.6 m -162.38 153.85 18.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.998 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -89.27 106.84 18.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.991 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.46 ' CD1' HG12 ' A' ' 20' ' ' VAL . 4.2 pt -105.94 129.57 58.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -90.9 152.01 20.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.255 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.8 t -118.25 113.44 42.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.426 ' CD1' ' N ' ' A' ' 88' ' ' TYR . 11.0 p90 -144.89 159.61 49.6 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.977 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 178.12 7.7 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.519 1.8 . . . . 0.0 110.99 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -105.74 122.32 45.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.61 151.41 39.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.326 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 89.8 p -177.24 95.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.028 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 40.34 79.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.953 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.97 159.15 43.99 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.537 1.148 . . . . 0.0 110.999 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -47.27 0.21 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.491 1.785 . . . . 0.0 110.958 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 71.74 -59.62 0.55 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.988 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 56.7 p -159.61 131.44 6.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.01 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.447 1.092 . . . . 0.0 110.992 -179.999 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.8 p -157.36 96.96 1.59 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 0.747 . . . . 0.0 109.99 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -128.88 95.44 4.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 110.042 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.83 -71.24 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.534 1.146 . . . . 0.0 110.967 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 59.6 95.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 0.744 . . . . 0.0 110.011 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.4 t 61.94 85.84 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 109.959 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.54 100.35 0.19 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.535 1.147 . . . . 0.0 110.979 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 60.11 97.12 0.01 OUTLIER Glycine 0 CA--C 1.531 1.035 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 151.78 40.0 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.522 1.801 . . . . 0.0 111.048 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 143.29 28.98 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.525 1.803 . . . . 0.0 111.016 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.2 t -70.82 150.97 45.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.456 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.75 33.41 1.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.298 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 28.8 mtp180 -61.73 -17.09 54.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 110.28 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.529 ' HB3' ' CD2' ' A' ' 16' ' ' PHE . 60.2 m -161.5 172.69 16.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.965 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.566 ' O ' ' CD1' ' A' ' 16' ' ' PHE . 1.1 m-20 -132.18 68.69 1.49 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.566 ' CD1' ' O ' ' A' ' 15' ' ' ASP . 11.2 m-85 -150.92 109.43 3.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 110.992 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.446 ' NH1' ' OE1' ' A' ' 90' ' ' GLU . 0.1 OUTLIER -139.18 177.85 7.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.27 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.455 ' CG1' ' HG ' ' A' ' 67' ' ' LEU . 29.8 m -136.47 126.12 38.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.263 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.6 mt -84.76 123.88 30.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.299 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 92.4 t -107.11 137.23 39.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -146.53 152.65 39.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.988 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 87.53 34.88 9.84 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.459 1.099 . . . . 0.0 111.013 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.2 mt -81.0 157.46 71.32 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.514 0.773 . . . . 0.0 109.314 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 170.83 19.55 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.502 1.791 . . . . 0.0 111.009 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -12.05 21.51 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.471 1.774 . . . . 0.0 110.975 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.8 p -113.71 -8.48 13.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.565 1.165 . . . . 0.0 109.982 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -50.24 145.85 9.03 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.471 1.107 . . . . 0.0 110.992 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.8 m -128.1 -177.49 4.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 0.763 . . . . 0.0 110.001 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.632 ' CH2' ' NE2' ' A' ' 30' ' ' GLN . 62.1 p-90 -90.96 -41.75 10.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 108.03 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.632 ' NE2' ' CH2' ' A' ' 29' ' ' TRP . 10.6 mm-40 -48.54 -71.62 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 110.312 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.73 -43.14 65.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.426 ' C ' ' CD2' ' A' ' 32' ' ' LEU . 3.5 tt -52.26 -54.0 36.83 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.482 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 7.2 ttpt -55.35 -59.98 4.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -42.1 -27.34 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.42 ' N ' ' C ' ' A' ' 33' ' ' LYS . 4.1 t60 -86.42 -56.55 3.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.644 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.444 ' C ' ' N ' ' A' ' 38' ' ' GLU . 28.4 mmm -55.8 -40.19 72.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 111.031 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.486 ' O ' ' C ' ' A' ' 38' ' ' GLU . 7.0 mmm-85 -41.08 -26.61 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.325 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.486 ' C ' ' O ' ' A' ' 37' ' ' ARG . 0.4 OUTLIER -31.74 -40.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.299 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.565 ' HA ' ' CD1' ' A' ' 65' ' ' TYR . . . -60.82 -80.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -147.61 -108.87 0.53 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.477 1.111 . . . . 0.0 111.02 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -114.53 129.73 56.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 0.749 . . . . 0.0 109.287 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.461 ' CG1' HG12 ' A' ' 55' ' ' VAL . 7.9 t -101.36 119.75 49.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 10.7 t -95.52 -29.26 14.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 108.286 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.57 ' CD1' ' HE3' ' A' ' 54' ' ' MET . 6.7 t80 -125.66 132.16 52.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -152.14 114.22 4.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -135.95 155.78 49.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.294 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 10.9 p -142.18 140.87 29.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -123.45 170.64 10.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.32 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.12 -172.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 74.16 -58.94 0.57 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 139.79 44.75 0.07 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -117.71 161.21 20.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 0.788 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -154.93 169.7 33.09 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.454 1.097 . . . . 0.0 111.001 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.57 ' HE3' ' CD1' ' A' ' 44' ' ' TYR . 1.2 ttp -154.8 127.57 8.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 0.785 . . . . 0.0 110.987 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.461 HG12 ' CG1' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -135.75 138.24 48.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 109.319 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.47 ' OE1' ' CB ' ' A' ' 44' ' ' TYR . 40.9 mt-10 -111.99 149.15 32.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.345 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.561 ' CD2' ' HA ' ' A' ' 63' ' ' MET . 44.4 m-85 -121.14 146.41 46.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 110.963 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -83.6 -5.22 59.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 109.269 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 9.7 mmt180 -129.67 133.27 47.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 110.278 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 75.0 tttt -57.41 -53.07 62.33 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -48.62 -55.53 10.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.155 . . . . 0.0 110.336 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.415 ' O ' ' HB3' ' A' ' 39' ' ' ALA . 81.6 m-20 -40.06 -53.04 2.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.561 ' HA ' ' CD2' ' A' ' 57' ' ' TYR . 17.0 ttp -49.25 -61.96 1.8 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 111.023 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -59.36 -45.27 91.89 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 110.276 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.565 ' CD1' ' HA ' ' A' ' 39' ' ' ALA . 18.0 t80 -50.47 -62.04 1.83 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 111.001 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.415 ' O ' ' HB2' ' A' ' 70' ' ' LEU . . . -60.08 -38.29 82.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.455 ' HG ' ' CG1' ' A' ' 18' ' ' VAL . 18.7 mt -51.77 -56.18 15.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.453 ' O ' ' C ' ' A' ' 69' ' ' LYS . 11.2 mmt180 -72.97 -66.92 0.61 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 110.288 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 68' ' ' ARG . 9.9 mptt -35.93 -60.79 0.52 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.633 ' O ' ' C ' ' A' ' 71' ' ' ASP . 20.5 mt -65.78 -62.68 1.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 109.27 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.633 ' C ' ' O ' ' A' ' 70' ' ' LEU . 36.1 t0 18.46 90.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.3 t70 60.86 106.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.476 ' CG2' ' O ' ' A' ' 70' ' ' LEU . 3.0 p -138.2 178.03 7.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 110.391 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -101.93 99.2 9.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 109.257 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -83.57 149.35 26.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 111.02 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 45.3 ttp85 -123.64 114.99 20.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 74.8 p -72.02 173.89 7.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.966 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.534 ' O ' ' CD2' ' A' ' 78' ' ' HIS . 2.2 t60 -72.5 -15.29 61.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.611 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -96.18 5.35 51.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.304 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 92.91 -41.48 2.72 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.493 1.12 . . . . 0.0 111.044 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -38.81 139.32 0.45 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 0.781 . . . . 0.0 110.251 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 77.6 p -124.11 155.12 38.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 110.379 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 83.0 p -156.08 164.15 38.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.035 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -96.92 109.13 21.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.093 . . . . 0.0 110.974 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 5.9 pt -107.89 130.37 60.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.127 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.64 152.23 20.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.269 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.0 t -117.25 115.86 50.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.422 ' CD1' ' N ' ' A' ' 88' ' ' TYR . 10.9 p90 -146.37 158.01 48.0 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.122 . . . . 0.0 110.933 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 178.65 6.99 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.498 1.788 . . . . 0.0 111.013 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.446 ' OE1' ' NH1' ' A' ' 17' ' ' ARG . 1.4 tt0 -101.94 80.68 2.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.112 . . . . 0.0 110.29 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.02 166.68 0.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 110.278 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.7 t -108.49 124.75 50.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.005 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 64.19 126.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 110.005 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -57.67 126.61 42.73 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.476 1.11 . . . . 0.0 111.008 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 63.67 6.03 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.512 1.796 . . . . 0.0 111.019 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 25.0 m 41.09 91.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.019 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 8.9 t -68.47 157.11 36.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.003 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 O-C-N 124.45 1.094 . . . . 0.0 110.994 -179.967 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.9 m -126.57 -58.49 1.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 0.76 . . . . 0.0 110.037 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.8 p -96.66 165.79 11.97 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.47 1.106 . . . . 0.0 109.978 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.87 74.9 1.28 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.524 1.14 . . . . 0.0 111.034 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.98 -57.34 1.52 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 0.766 . . . . 0.0 110.01 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.41 145.45 26.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.989 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.23 -74.68 1.28 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.462 1.101 . . . . 0.0 110.934 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -153.43 75.27 0.23 Allowed Glycine 0 CA--C 1.53 1.009 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 164.86 32.51 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.499 1.789 . . . . 0.0 111.021 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 83.54 1.8 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.482 1.78 . . . . 0.0 111.017 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 58.5 m -68.92 98.19 0.92 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.546 1.154 . . . . 0.0 110.406 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.84 81.71 1.48 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 110.294 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -139.86 176.59 8.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.28 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.8 m -42.33 153.84 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.973 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.529 ' O ' ' CD1' ' A' ' 16' ' ' PHE . 0.5 OUTLIER -118.13 70.35 0.8 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.137 . . . . 0.0 109.258 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.529 ' CD1' ' O ' ' A' ' 15' ' ' ASP . 29.1 m-85 -148.16 107.04 3.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.095 . . . . 0.0 110.981 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.57 177.7 7.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 110.268 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.461 ' CG2' HG22 ' A' ' 55' ' ' VAL . 27.8 m -137.93 124.8 27.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.0 mt -83.67 128.04 34.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 70.4 t -112.26 135.96 49.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.342 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 75.1 p -143.34 138.99 29.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.957 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 99.23 51.0 1.38 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.522 1.139 . . . . 0.0 111.021 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.444 ' HG ' ' CG2' ' A' ' 85' ' ' ILE . 1.7 mt -100.38 157.22 34.18 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.505 0.767 . . . . 0.0 109.273 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.411 ' CG ' ' HB3' ' A' ' 77' ' ' SER . 18.4 Cg_endo -75.0 168.17 25.43 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.463 1.77 . . . . 0.0 111.039 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -12.97 21.55 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.482 1.78 . . . . 0.0 111.024 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.7 m -109.89 -14.41 14.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.021 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -47.33 155.57 0.92 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.461 1.101 . . . . 0.0 111.009 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 45.6 m -134.67 174.64 10.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 0.779 . . . . 0.0 109.991 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.525 ' CH2' ' CG ' ' A' ' 30' ' ' GLN . 56.4 p-90 -81.41 -42.77 19.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 108.01 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.525 ' CG ' ' CH2' ' A' ' 29' ' ' TRP . 29.1 mt-30 -48.79 -72.37 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.06 -42.53 60.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.531 ' C ' ' CD2' ' A' ' 32' ' ' LEU . 0.8 OUTLIER -53.12 -48.4 67.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' A' ' 36' ' ' MET . 21.8 ttpt -59.64 -59.2 5.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.405 ' HA ' ' HG3' ' A' ' 37' ' ' ARG . 1.2 m-20 -40.18 -29.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.434 ' N ' ' O ' ' A' ' 33' ' ' LYS . 5.7 t60 -83.0 -47.88 11.25 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.419 1.074 . . . . 0.0 109.6 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.468 ' N ' ' O ' ' A' ' 33' ' ' LYS . 29.8 mmm -62.87 -41.36 99.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.966 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.485 ' O ' ' C ' ' A' ' 38' ' ' GLU . 14.5 mtm180 -40.66 -26.96 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.283 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.485 ' C ' ' O ' ' A' ' 37' ' ' ARG . 0.4 OUTLIER -31.0 -40.61 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.299 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.587 ' HA ' ' CD1' ' A' ' 65' ' ' TYR . . . -63.88 -81.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -147.15 -115.86 0.9 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.505 1.128 . . . . 0.0 111.031 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -105.5 134.85 47.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 0.748 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.445 ' CG1' HG11 ' A' ' 55' ' ' VAL . 2.8 t -103.95 126.36 58.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 4.5 t -99.26 -32.84 11.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 108.306 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.423 ' CD1' ' HE3' ' A' ' 54' ' ' MET . 14.8 t80 -121.02 140.04 52.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -151.61 113.14 4.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -140.8 148.44 40.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.419 1.074 . . . . 0.0 109.292 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.0 p -131.2 137.73 54.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -105.97 164.43 11.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.288 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.462 ' O ' ' CB ' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -67.93 175.89 2.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 109.338 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.462 ' CB ' ' O ' ' A' ' 49' ' ' LYS . 8.2 t70 79.53 -58.04 0.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.269 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 151.36 44.29 0.02 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.49 1.119 . . . . 0.0 111.006 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -111.56 158.62 19.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 0.767 . . . . 0.0 110.992 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -148.69 158.1 27.54 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.484 1.115 . . . . 0.0 110.966 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.521 ' CE ' ' CG ' ' A' ' 56' ' ' GLU . 0.4 OUTLIER -150.04 132.28 15.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 0.746 . . . . 0.0 110.973 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.461 HG22 ' CG2' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -141.58 138.4 32.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 109.29 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.521 ' CG ' ' CE ' ' A' ' 54' ' ' MET . 9.5 mt-10 -117.82 123.36 45.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.097 . . . . 0.0 110.311 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.575 ' CD2' ' HA ' ' A' ' 63' ' ' MET . 51.1 m-85 -91.11 162.54 14.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 110.941 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -83.25 -38.78 21.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.432 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 11.0 mmp_? -99.81 -174.42 2.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 110.297 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 44.9 tttt -99.5 -57.95 2.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -43.58 -50.32 7.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.288 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' A' ' 59' ' ' ARG . 2.2 p30 -45.92 -48.84 16.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.575 ' HA ' ' CD2' ' A' ' 57' ' ' TYR . 26.6 ttp -56.07 -65.94 0.51 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 111.042 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -52.27 -45.61 65.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.313 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.587 ' CD1' ' HA ' ' A' ' 39' ' ' ALA . 17.9 t80 -50.41 -61.8 1.97 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 110.972 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.482 ' CB ' ' HB1' ' A' ' 39' ' ' ALA . . . -59.98 -38.87 83.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.457 ' HG ' ' CG1' ' A' ' 18' ' ' VAL . 19.7 mt -51.59 -55.3 20.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.466 ' O ' ' C ' ' A' ' 69' ' ' LYS . 26.3 mmt85 -73.86 -67.89 0.56 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.466 ' C ' ' O ' ' A' ' 68' ' ' ARG . 9.6 mptt -35.27 -59.5 0.52 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.345 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.655 ' O ' ' C ' ' A' ' 71' ' ' ASP . 17.0 mt -66.7 -61.27 2.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.344 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.655 ' C ' ' O ' ' A' ' 70' ' ' LEU . 27.0 t70 15.04 80.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.407 ' CB ' ' O ' ' A' ' 71' ' ' ASP . 7.5 t0 75.04 100.86 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.334 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.451 ' CG2' ' HA ' ' A' ' 70' ' ' LEU . 17.2 p -133.66 168.35 18.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 110.405 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.1 tttt -97.15 100.82 12.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.489 ' CE1' ' HA ' ' A' ' 32' ' ' LEU . 54.2 t80 -88.77 127.28 35.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.565 1.165 . . . . 0.0 111.007 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 28.5 ttp180 -96.65 114.03 25.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.33 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.411 ' HB3' ' CG ' ' A' ' 24' ' ' PRO . 46.7 p -65.59 159.03 25.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 110.001 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -62.43 -15.47 49.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.632 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -94.55 5.78 50.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.271 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 94.22 -39.81 2.85 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.477 1.11 . . . . 0.0 110.997 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -43.29 136.73 2.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 0.752 . . . . 0.0 110.293 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.9 p -114.24 143.38 44.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.39 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 60.1 m -145.96 161.33 40.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 110.003 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -98.06 120.25 38.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 0.0 110.998 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.444 ' CG2' ' HG ' ' A' ' 23' ' ' LEU . 4.8 pt -114.3 130.15 69.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.29 144.76 25.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.323 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.44 HG12 ' CD2' ' A' ' 67' ' ' LEU . 2.0 t -114.47 120.1 63.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.26 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 24.0 p90 -151.12 156.8 35.39 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 171.31 18.57 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.462 1.77 . . . . 0.0 110.994 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.78 118.39 23.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.317 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -158.4 150.95 22.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.31 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 22.7 t -86.18 -60.73 1.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.033 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 67.4 m 64.98 81.58 0.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.008 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -119.02 -119.96 2.88 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.46 1.1 . . . . 0.0 111.023 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 123.18 7.67 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.486 1.782 . . . . 0.0 110.959 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 10.3 t -168.25 154.95 7.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.152 . . . . 0.0 109.985 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 48.0 t -78.79 -59.16 2.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.044 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 O-C-N 124.497 1.123 . . . . 0.0 110.992 -179.989 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.7 t 71.33 -60.49 0.51 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 0.759 . . . . 0.0 110.016 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.7 t -46.6 139.51 5.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.142 . . . . 0.0 110.03 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.42 -77.57 0.07 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.518 1.136 . . . . 0.0 110.97 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.6 p -63.32 159.37 18.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 0.791 . . . . 0.0 110.036 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -132.83 104.88 6.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 110.041 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.92 90.4 0.17 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.521 1.138 . . . . 0.0 110.957 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 62.0 85.75 0.05 OUTLIER Glycine 0 CA--C 1.529 0.951 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 163.27 35.59 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.467 1.772 . . . . 0.0 110.956 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 167.67 26.53 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.498 1.788 . . . . 0.0 111.038 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.8 m 63.28 107.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 110.393 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.59 46.51 1.69 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.287 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.1 mmm180 -55.14 -20.6 10.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 110.319 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 9.8 m -167.03 158.35 12.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.016 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.45 ' O ' ' CD1' ' A' ' 16' ' ' PHE . 21.0 m-20 -107.12 58.3 0.63 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.45 ' CD1' ' O ' ' A' ' 15' ' ' ASP . 37.9 m-85 -147.78 90.92 1.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 111.009 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.416 ' HB3' ' CG ' ' A' ' 56' ' ' GLU . 4.1 ptp180 -116.83 177.34 4.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.33 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.448 ' CG2' HG21 ' A' ' 55' ' ' VAL . 14.6 m -134.48 124.82 45.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 13.6 mt -82.79 127.54 33.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.423 HG11 ' CD1' ' A' ' 23' ' ' LEU . 12.9 t -114.15 134.36 57.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 9.0 p -141.83 153.22 44.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.036 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 51' ' ' GLY . . . 87.99 40.57 6.58 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.543 1.152 . . . . 0.0 111.007 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.508 HD23 ' CD2' ' A' ' 75' ' ' PHE . 3.7 mt -90.73 158.41 42.46 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.489 0.758 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 171.01 19.15 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.51 1.795 . . . . 0.0 110.993 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -21.79 15.47 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.498 1.788 . . . . 0.0 111.024 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.5 m -104.63 -8.63 18.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.015 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -57.36 136.78 50.27 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.516 1.135 . . . . 0.0 110.977 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.4 m -114.4 177.04 4.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 0.773 . . . . 0.0 109.981 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.532 ' HB3' ' CG2' ' A' ' 47' ' ' VAL . 51.1 p-90 -84.34 -36.56 22.44 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.447 ' HG3' ' CZ3' ' A' ' 29' ' ' TRP . 52.0 mt-30 -50.38 -73.21 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 110.295 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -49.67 -39.24 35.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 109.263 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.517 ' C ' ' CD2' ' A' ' 32' ' ' LEU . 0.9 OUTLIER -57.01 -48.99 77.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.501 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 9.6 ttpt -57.79 -56.08 26.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -47.51 -23.84 0.72 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -88.81 -48.62 7.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 109.597 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.443 ' C ' ' N ' ' A' ' 38' ' ' GLU . 28.3 mmm -63.51 -40.54 97.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 111.004 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.501 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 1.4 mtm180 -42.21 -25.56 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 110.3 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.493 ' C ' ' O ' ' A' ' 37' ' ' ARG . 0.4 OUTLIER -31.22 -40.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 110.295 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.578 ' HA ' ' CD1' ' A' ' 65' ' ' TYR . . . -63.35 -83.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -140.31 -122.74 1.94 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.499 1.124 . . . . 0.0 110.997 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -107.12 130.26 54.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 0.735 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.5 t -90.78 133.44 32.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 22.8 t -99.32 -32.13 11.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 108.317 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -140.92 139.72 34.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 111.014 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -144.01 128.15 17.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -144.17 161.64 38.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.532 ' CG2' ' HB3' ' A' ' 29' ' ' TRP . 0.9 OUTLIER -133.69 152.32 34.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.328 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -124.43 162.52 23.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.298 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.402 ' O ' ' CB ' ' A' ' 50' ' ' ASP . 2.2 pttp -65.89 178.08 1.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.402 ' CB ' ' O ' ' A' ' 49' ' ' LYS . 0.9 OUTLIER 75.03 -57.89 0.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 22' ' ' GLY . . . 149.36 44.4 0.03 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.531 1.144 . . . . 0.0 111.008 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -113.66 160.93 18.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 0.774 . . . . 0.0 110.982 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -152.16 167.06 31.19 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.475 1.11 . . . . 0.0 110.977 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -152.01 136.22 16.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 0.76 . . . . 0.0 110.979 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.448 HG21 ' CG2' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -142.07 130.92 22.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.416 ' CG ' ' HB3' ' A' ' 17' ' ' ARG . 1.4 mt-10 -110.52 113.24 25.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.297 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.518 ' CZ ' ' HB2' ' A' ' 39' ' ' ALA . 25.1 m-85 -82.01 176.28 9.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 111.003 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 13.0 mt -105.54 -11.87 16.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 16.1 mmm180 -129.51 144.42 51.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 110.338 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 20.3 tttp -67.43 -53.45 28.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.239 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -48.49 -38.12 19.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.265 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.403 ' O ' ' HB1' ' A' ' 39' ' ' ALA . 56.0 m-20 -59.6 -45.42 91.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.425 ' HA ' ' CD2' ' A' ' 57' ' ' TYR . 9.4 ttp -54.91 -60.58 3.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 111.033 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -56.76 -45.28 82.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.341 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.578 ' CD1' ' HA ' ' A' ' 39' ' ' ALA . 18.2 t80 -51.03 -62.16 1.79 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.978 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.413 ' O ' ' HB2' ' A' ' 70' ' ' LEU . . . -59.73 -39.79 85.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.582 1.176 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 18.5 mt -51.03 -55.46 17.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.465 ' O ' ' C ' ' A' ' 69' ' ' LYS . 22.0 mmm180 -73.12 -68.4 0.49 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.267 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.465 ' C ' ' O ' ' A' ' 68' ' ' ARG . 1.1 mptp? -34.97 -60.65 0.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.083 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.658 ' O ' ' C ' ' A' ' 71' ' ' ASP . 20.4 mt -65.36 -62.06 1.75 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.262 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.658 ' C ' ' O ' ' A' ' 70' ' ' LEU . 29.1 t70 15.97 86.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.405 ' OD1' ' CD2' ' A' ' 84' ' ' TYR . 7.6 t0 68.77 104.49 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.409 ' CG2' ' O ' ' A' ' 70' ' ' LEU . 9.9 p -136.69 171.45 14.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 110.398 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.1 tttt -99.0 99.48 10.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.508 ' CD2' HD23 ' A' ' 23' ' ' LEU . 50.1 t80 -87.08 127.88 35.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.113 . . . . 0.0 111.004 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 21.9 ttp180 -99.87 111.83 24.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.427 1.08 . . . . 0.0 110.308 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 23.7 p -64.06 159.73 19.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.581 1.176 . . . . 0.0 109.963 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -61.46 -18.04 57.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.608 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -87.51 -3.03 59.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 98.66 -29.92 10.66 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.527 1.142 . . . . 0.0 110.955 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -49.12 156.06 0.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 0.785 . . . . 0.0 110.319 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.0 p -125.24 157.41 36.61 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 110.425 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 38.1 m -163.5 152.48 14.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.029 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.405 ' CD2' ' OD1' ' A' ' 72' ' ' ASP . 0.1 OUTLIER -94.35 111.43 23.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.962 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 12.0 pt -109.89 132.84 57.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.277 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.22 152.57 19.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.349 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.9 t -117.86 114.36 45.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.444 1.09 . . . . 0.0 109.32 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.415 ' CD1' ' N ' ' A' ' 88' ' ' TYR . 12.4 p90 -144.84 156.68 55.58 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -177.09 3.23 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.476 1.777 . . . . 0.0 110.984 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.27 87.16 6.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 110.313 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.79 155.94 46.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.282 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 99.6 p -170.96 151.18 3.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.969 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 9.6 t -42.77 155.73 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.01 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 165.13 -154.88 25.94 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.514 1.134 . . . . 0.0 110.971 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 168.44 24.82 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.473 1.775 . . . . 0.0 111.029 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.62 78.8 0.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.978 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 34.4 t -179.05 131.2 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.001 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.526 1.141 . . . . 0.0 111.005 179.992 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 59.07 102.23 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 0.783 . . . . 0.0 109.982 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.3 m -143.17 168.84 18.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 109.957 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.94 122.82 13.86 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.546 1.154 . . . . 0.0 110.999 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.7 p -128.44 144.84 51.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 0.785 . . . . 0.0 109.996 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 m -169.94 117.59 0.57 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.977 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 53.03 -138.74 34.57 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.48 1.112 . . . . 0.0 111.017 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 40.7 -103.83 0.04 OUTLIER Glycine 0 CA--C 1.531 1.056 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 151.45 39.17 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.511 1.795 . . . . 0.0 110.993 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 177.6 8.38 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.511 1.795 . . . . 0.0 110.956 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 19.8 m -53.04 -66.18 0.43 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.379 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 55.91 70.71 0.61 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.309 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -141.33 -179.59 6.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.429 1.081 . . . . 0.0 110.337 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 50.1 m -49.73 176.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.968 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.593 ' O ' ' CD1' ' A' ' 16' ' ' PHE . 7.8 m-20 -124.67 62.92 1.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.345 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.593 ' CD1' ' O ' ' A' ' 15' ' ' ASP . 53.2 m-85 -156.55 104.2 2.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.987 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.3 ptp85 -129.06 177.71 6.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.319 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.464 ' CG1' ' HG ' ' A' ' 67' ' ' LEU . 21.2 m -132.74 122.97 48.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.528 ' O ' ' CD1' ' A' ' 88' ' ' TYR . 7.6 mt -82.48 124.25 29.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.272 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.435 ' O ' ' N ' ' A' ' 53' ' ' GLY . 79.6 t -110.07 140.26 29.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 93.3 p -149.03 129.06 13.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.97 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.414 ' O ' ' CG2' ' A' ' 85' ' ' ILE . . . 110.78 48.37 0.74 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.497 1.123 . . . . 0.0 111.025 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.51 ' CD1' ' O ' ' A' ' 51' ' ' GLY . 5.4 mt -91.79 157.46 41.55 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.507 0.769 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 170.15 21.05 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.513 1.796 . . . . 0.0 110.974 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -13.26 21.38 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.529 1.805 . . . . 0.0 111.03 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.407 ' CB ' ' HB2' ' A' ' 79' ' ' GLU . 42.0 p -113.94 -12.52 12.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 109.995 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -51.28 158.02 2.54 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.502 1.126 . . . . 0.0 111.019 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 58.7 m -141.21 173.37 11.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 0.75 . . . . 0.0 110.001 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.569 ' CZ2' ' HG3' ' A' ' 30' ' ' GLN . 47.3 p-90 -77.52 -44.62 28.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 108.018 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.569 ' HG3' ' CZ2' ' A' ' 29' ' ' TRP . 47.2 mt-30 -45.95 -73.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.327 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.423 ' HB3' ' CE1' ' A' ' 75' ' ' PHE . 0.5 OUTLIER -49.93 -47.85 52.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.26 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.574 ' HA ' ' CE1' ' A' ' 75' ' ' PHE . 1.0 OUTLIER -47.45 -48.2 26.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.492 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 12.8 ttpt -56.62 -60.54 3.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -40.72 -29.09 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.428 ' N ' ' O ' ' A' ' 33' ' ' LYS . 4.4 t60 -84.77 -60.03 2.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.581 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.424 ' C ' ' N ' ' A' ' 38' ' ' GLU . 27.2 mmm -51.52 -38.32 53.54 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.097 . . . . 0.0 111.013 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.492 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 6.6 mmm180 -44.2 -25.01 0.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 110.288 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.476 ' C ' ' O ' ' A' ' 37' ' ' ARG . 3.4 mm-40 -32.04 -40.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.298 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.582 ' HA ' ' CD1' ' A' ' 65' ' ' TYR . . . -61.19 -82.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -142.74 -106.17 0.57 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.453 1.096 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -120.37 131.24 54.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 0.762 . . . . 0.0 109.325 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 9.8 t -96.47 119.14 44.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 19.3 t -88.26 -20.28 25.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 108.306 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 52.4 t80 -150.39 141.75 23.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.983 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -151.35 114.87 4.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -131.5 167.22 19.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 52.0 t -142.01 143.2 27.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -118.69 166.36 12.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.56 ' O ' ' CB ' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -62.55 165.74 5.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.166 . . . . 0.0 109.287 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.56 ' CB ' ' O ' ' A' ' 49' ' ' LYS . 3.0 t0 88.02 -37.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.51 ' O ' ' CD1' ' A' ' 23' ' ' LEU . . . 130.32 -1.65 5.73 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.523 1.139 . . . . 0.0 111.027 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.19 161.48 13.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.566 0.804 . . . . 0.0 111.059 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -154.23 163.74 31.17 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.447 1.092 . . . . 0.0 110.955 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.9 131.99 16.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 0.742 . . . . 0.0 111.01 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.449 HG22 ' CG2' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -143.7 132.97 20.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -103.35 157.54 16.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 110.273 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.535 ' CD2' ' HA ' ' A' ' 63' ' ' MET . 25.8 m-85 -130.38 146.44 51.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.986 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -86.58 9.79 17.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.353 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 19.9 mmt180 -146.2 127.46 14.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 110.296 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.487 ' HB2' ' CE2' ' A' ' 16' ' ' PHE . 81.0 tttt -57.93 -57.02 14.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -48.78 -47.7 41.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.329 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -53.93 -37.1 63.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.329 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.535 ' HA ' ' CD2' ' A' ' 57' ' ' TYR . 0.1 OUTLIER -59.51 -53.86 53.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 111.009 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.4 ' O ' ' HB2' ' A' ' 67' ' ' LEU . 25.3 mt-10 -64.94 -40.3 94.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.582 ' CD1' ' HA ' ' A' ' 39' ' ' ALA . 20.3 t80 -50.12 -63.4 1.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.973 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.418 ' O ' ' HB2' ' A' ' 70' ' ' LEU . . . -58.93 -38.47 79.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.464 ' HG ' ' CG1' ' A' ' 18' ' ' VAL . 19.6 mt -51.32 -56.98 10.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.461 ' O ' ' C ' ' A' ' 69' ' ' LYS . 3.2 mmt180 -72.86 -66.89 0.61 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.299 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.461 ' C ' ' O ' ' A' ' 68' ' ' ARG . 13.3 mptt -35.5 -60.73 0.49 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.648 ' O ' ' C ' ' A' ' 71' ' ' ASP . 19.2 mt -65.65 -62.08 1.72 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.648 ' C ' ' O ' ' A' ' 70' ' ' LEU . 38.5 t70 15.91 76.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.327 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.451 ' CB ' ' O ' ' A' ' 71' ' ' ASP . 9.1 t0 78.82 102.63 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.462 ' CG2' ' HA ' ' A' ' 70' ' ' LEU . 20.3 p -138.96 166.86 23.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.373 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.5 tttt -94.57 105.86 17.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.574 ' CE1' ' HA ' ' A' ' 32' ' ' LEU . 35.5 t80 -93.87 127.9 39.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.992 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.8 ttp180 -94.63 118.13 31.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 110.287 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 84.3 p -70.38 167.54 17.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 110.038 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.572 ' O ' ' CD2' ' A' ' 78' ' ' HIS . 1.1 t60 -69.21 -14.47 62.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.441 1.088 . . . . 0.0 109.58 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.407 ' HB2' ' CB ' ' A' ' 26' ' ' SER . 1.0 OUTLIER -94.28 -3.56 50.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.283 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 103.71 -38.83 3.05 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.506 1.129 . . . . 0.0 110.983 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -41.89 159.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 0.773 . . . . 0.0 110.299 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 23.6 p -137.38 156.77 47.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.372 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 51.4 p -160.47 162.28 33.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.007 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -95.38 112.37 24.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 110.957 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.414 ' CG2' ' O ' ' A' ' 22' ' ' GLY . 6.5 pt -106.63 130.72 58.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.59 153.8 20.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.268 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.2 t -124.29 116.85 48.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.528 ' CD1' ' O ' ' A' ' 19' ' ' LEU . 13.7 p90 -145.45 157.83 51.77 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 166.63 28.81 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.469 1.773 . . . . 0.0 111.007 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.28 167.68 21.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.317 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -177.84 50.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 110.302 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.0 t -100.27 101.34 12.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.99 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.3 t -143.91 162.05 37.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.96 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -119.49 138.69 13.53 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.502 1.126 . . . . 0.0 110.994 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 73.97 4.12 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.503 1.791 . . . . 0.0 111.039 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 5.1 t -154.44 148.81 26.12 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.527 1.142 . . . . 0.0 110.018 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.7 t -100.83 85.15 2.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.03 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 O-C-N 124.501 1.126 . . . . 0.0 111.011 -179.981 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.6 t -68.13 141.82 55.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 0.739 . . . . 0.0 110.002 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -148.61 130.6 15.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.978 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 126.27 -156.97 19.99 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.458 1.098 . . . . 0.0 110.983 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.38 88.01 1.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 0.769 . . . . 0.0 109.972 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.4 t 61.11 109.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.999 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.26 152.18 23.28 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.523 1.139 . . . . 0.0 111.028 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 122.93 -138.69 11.88 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 156.67 42.94 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.513 1.796 . . . . 0.0 110.955 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 126.43 9.94 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.452 1.764 . . . . 0.0 110.991 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 19.1 m -96.51 99.18 10.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.405 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.3 mtt-85 -109.75 83.18 1.71 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 110.262 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 14' ' ' SER . 0.0 OUTLIER -125.54 -175.64 3.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.313 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 13' ' ' ARG . 49.3 m -38.97 127.1 1.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.025 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.606 ' O ' ' CD1' ' A' ' 16' ' ' PHE . 1.3 m-20 -93.62 70.06 4.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.352 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.606 ' CD1' ' O ' ' A' ' 15' ' ' ASP . 42.2 m-85 -162.48 100.86 1.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.14 . . . . 0.0 110.947 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.464 ' HD2' ' CD1' ' A' ' 19' ' ' LEU . 0.1 OUTLIER -128.59 177.97 6.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.165 . . . . 0.0 110.271 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.465 ' CG1' ' HG ' ' A' ' 67' ' ' LEU . 27.8 m -139.3 124.8 21.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 109.293 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.496 HD22 ' CB ' ' A' ' 90' ' ' GLU . 1.1 mm? -84.46 128.7 34.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.271 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.451 ' CG1' HD11 ' A' ' 85' ' ' ILE . 62.4 t -115.57 134.7 57.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -142.9 149.97 39.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 110.009 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 51' ' ' GLY . . . 91.01 47.35 3.64 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.453 1.096 . . . . 0.0 111.065 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.457 ' HG ' ' CG2' ' A' ' 85' ' ' ILE . 1.5 mt -94.74 157.05 37.55 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.509 0.77 . . . . 0.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 172.04 17.14 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.49 1.784 . . . . 0.0 110.956 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -19.3 17.97 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.497 1.788 . . . . 0.0 110.984 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.4 m -105.3 -10.22 17.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.991 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -55.46 144.87 32.69 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.482 1.113 . . . . 0.0 110.992 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.15 -177.42 4.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 0.733 . . . . 0.0 110.028 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.57 ' CH2' ' HG2' ' A' ' 30' ' ' GLN . 39.7 p-90 -88.75 -36.33 16.19 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.57 ' HG2' ' CH2' ' A' ' 29' ' ' TRP . 7.0 mt-30 -47.08 -70.74 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.336 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.37 -50.82 68.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.528 ' C ' ' CD2' ' A' ' 32' ' ' LEU . 0.9 OUTLIER -45.48 -47.14 14.02 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.513 ' O ' ' N ' ' A' ' 36' ' ' MET . 7.5 tttt -55.26 -69.67 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 33' ' ' LYS . 5.9 t0 -39.45 -38.0 0.52 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -68.36 -47.63 66.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.622 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.513 ' N ' ' O ' ' A' ' 33' ' ' LYS . 28.8 mmm -67.7 -41.81 83.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.14 . . . . 0.0 111.011 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.494 ' O ' ' C ' ' A' ' 38' ' ' GLU . 21.5 mtp180 -39.58 -28.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 110.304 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.494 ' C ' ' O ' ' A' ' 37' ' ' ARG . 5.2 mm-40 -31.18 -40.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.322 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.594 ' HA ' ' CD1' ' A' ' 65' ' ' TYR . . . -62.2 -81.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -149.18 -123.15 1.24 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.505 1.128 . . . . 0.0 110.978 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.4 133.62 39.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 0.788 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.44 ' CG2' ' HG2' ' A' ' 37' ' ' ARG . 24.9 t -104.18 116.56 48.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 25.8 p -93.78 -24.14 17.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 108.35 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.566 ' CD1' ' HE2' ' A' ' 54' ' ' MET . 16.1 t80 -129.9 137.46 50.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -152.22 114.43 4.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.265 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -145.34 158.92 43.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 109.329 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.8 p -139.18 140.68 37.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.276 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -109.64 162.28 14.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.32 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.31 -178.37 0.25 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 109.262 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.1 t70 74.22 -58.85 0.57 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.419 ' O ' ' N ' ' A' ' 22' ' ' GLY . . . 149.91 44.14 0.03 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.474 1.109 . . . . 0.0 110.983 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -110.14 166.38 11.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 0.779 . . . . 0.0 111.018 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -158.5 160.62 31.13 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.485 1.115 . . . . 0.0 110.989 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.566 ' HE2' ' CD1' ' A' ' 44' ' ' TYR . 2.0 ttp -153.34 130.83 11.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 0.756 . . . . 0.0 111.009 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.454 HG21 ' CG2' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -138.89 142.46 34.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.34 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.425 ' CG ' ' HE3' ' A' ' 54' ' ' MET . 13.7 mt-10 -117.66 140.36 49.76 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.475 1.109 . . . . 0.0 110.283 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.562 ' CD2' ' HA ' ' A' ' 63' ' ' MET . 43.1 m-85 -111.08 169.49 8.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 111.023 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.6 mp -95.89 -35.97 11.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.115 . . . . 0.0 109.291 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 5.6 mmt-85 -105.29 139.35 40.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.262 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.565 ' HG3' ' CD1' ' A' ' 16' ' ' PHE . 25.1 tttp -58.43 -56.64 19.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.238 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -45.23 -52.68 9.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.301 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -46.81 -37.17 8.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.325 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.562 ' HA ' ' CD2' ' A' ' 57' ' ' TYR . 0.0 OUTLIER -62.91 -67.69 0.4 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 111.019 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.408 ' O ' ' HB2' ' A' ' 67' ' ' LEU . 27.0 mt-10 -52.61 -39.43 61.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 110.312 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.594 ' CD1' ' HA ' ' A' ' 39' ' ' ALA . 34.2 t80 -50.64 -68.51 0.16 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.997 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.481 ' CB ' ' HB2' ' A' ' 39' ' ' ALA . . . -55.79 -38.09 69.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.465 ' HG ' ' CG1' ' A' ' 18' ' ' VAL . 25.4 mt -50.81 -57.96 7.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.332 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.46 ' O ' ' C ' ' A' ' 69' ' ' LYS . 3.0 mmt180 -73.61 -66.38 0.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.298 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.498 ' HD3' ' CD2' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -35.07 -60.0 0.48 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.64 ' O ' ' C ' ' A' ' 71' ' ' ASP . 18.9 mt -67.56 -62.0 1.62 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.64 ' C ' ' O ' ' A' ' 70' ' ' LEU . 38.5 t0 17.0 91.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.7 t0 61.74 106.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.469 ' CG2' ' O ' ' A' ' 70' ' ' LEU . 3.5 p -138.62 171.43 14.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 110.395 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.4 tttt -95.51 99.15 11.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -88.14 136.96 32.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 111.003 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 50.1 ttp180 -114.55 120.06 38.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.286 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 86.3 p -68.93 173.16 5.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.986 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 1.3 p-80 -73.8 -10.9 60.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.602 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -90.81 -9.3 46.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 0.0 110.31 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 104.09 -23.97 30.59 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.481 1.113 . . . . 0.0 110.992 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -52.4 157.4 1.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 0.801 . . . . 0.0 110.302 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.6 p -127.54 147.98 50.33 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 110.367 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 51.1 m -154.33 164.87 37.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.115 . . . . 0.0 110.013 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -105.83 117.16 33.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 0.0 110.997 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.457 ' CG2' ' HG ' ' A' ' 23' ' ' LEU . 14.3 pt -114.87 133.12 62.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.55 158.06 15.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 110.272 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.2 t -127.3 120.14 54.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.166 . . . . 0.0 109.272 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 37.2 p90 -153.44 155.73 31.86 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 111.048 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 171.02 19.13 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.488 1.783 . . . . 0.0 110.978 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.496 ' CB ' HD22 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -94.66 178.29 5.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.28 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.5 tpt85 -132.19 123.13 26.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.287 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 60.5 p -122.69 121.36 36.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.977 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -148.31 134.64 19.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 110.037 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 161.09 132.19 1.31 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.523 1.14 . . . . 0.0 111.014 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -43.18 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.539 1.81 . . . . 0.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -172.9 -57.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.993 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.1 t -87.51 140.14 29.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.143 . . . . 0.0 109.989 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.479 1.112 . . . . 0.0 110.999 -179.944 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.2 m -61.93 164.15 6.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 0.784 . . . . 0.0 109.967 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -39.39 147.06 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.022 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.52 -128.07 2.24 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.474 1.109 . . . . 0.0 110.994 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -120.11 170.98 8.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 0.79 . . . . 0.0 109.974 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 m -172.83 158.26 3.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.953 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.3 -116.47 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.499 1.124 . . . . 0.0 111.006 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.12 172.91 0.02 OUTLIER Glycine 0 CA--C 1.531 1.034 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 159.41 41.53 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.513 1.796 . . . . 0.0 111.078 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 69.0 5.67 Favored 'Trans proline' 0 C--N 1.359 1.093 0 O-C-N 124.511 1.795 . . . . 0.0 110.952 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 55.3 p -107.02 142.37 36.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.424 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.97 45.63 0.92 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.8 143.83 51.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 110.283 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 17.3 m 50.04 -177.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.008 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.509 ' O ' ' CD1' ' A' ' 16' ' ' PHE . 4.2 m-20 -165.06 62.75 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.509 ' CD1' ' O ' ' A' ' 15' ' ' ASP . 48.6 m-85 -153.37 107.81 3.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 111.004 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.5 ptt180 -131.96 177.15 7.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.305 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.467 ' CG1' ' HG ' ' A' ' 67' ' ' LEU . 21.3 m -131.01 131.43 64.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.0 mt -89.9 124.25 34.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.449 HG13 ' CD1' ' A' ' 85' ' ' ILE . 10.3 t -112.71 139.49 37.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 58.2 m -148.71 130.14 14.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 110.031 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 115.67 32.83 1.67 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.529 ' CD1' ' O ' ' A' ' 51' ' ' GLY . 4.7 mt -77.23 156.69 81.55 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.493 0.76 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 169.9 21.57 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.497 1.788 . . . . 0.0 110.97 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -12.84 21.47 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.556 1.819 . . . . 0.0 111.018 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.2 m -117.68 0.91 12.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.132 . . . . 0.0 110.029 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -62.81 161.57 32.04 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.53 1.144 . . . . 0.0 111.015 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.1 m -140.67 175.48 9.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 0.743 . . . . 0.0 109.986 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.531 ' CZ2' ' HG3' ' A' ' 30' ' ' GLN . 44.7 p-90 -84.81 -40.54 17.06 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.531 ' HG3' ' CZ2' ' A' ' 29' ' ' TRP . 39.9 mt-30 -49.68 -73.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.304 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.77 -39.4 25.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.26 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.533 ' C ' ' CD2' ' A' ' 32' ' ' LEU . 0.7 OUTLIER -56.67 -48.31 77.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.502 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 0.4 OUTLIER -54.4 -60.71 2.98 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -42.88 -27.51 0.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.412 ' N ' ' C ' ' A' ' 33' ' ' LYS . 4.3 t60 -85.86 -56.39 3.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 109.626 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.446 ' C ' ' N ' ' A' ' 38' ' ' GLU . 25.1 mmm -55.61 -40.43 72.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 110.978 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.502 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 1.7 mmm180 -42.09 -25.84 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.34 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.485 ' C ' ' O ' ' A' ' 37' ' ' ARG . 4.7 mm-40 -31.46 -40.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.297 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.574 ' HA ' ' CD1' ' A' ' 65' ' ' TYR . . . -59.66 -75.02 0.06 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -153.07 -103.22 0.23 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.463 1.102 . . . . 0.0 110.987 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -122.85 128.34 50.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 0.762 . . . . 0.0 109.292 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 6.9 t -94.93 126.03 47.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.354 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 8.4 t -91.2 -26.47 19.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 108.299 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -145.81 142.28 28.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 111.003 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -150.66 115.65 5.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -134.06 165.85 24.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.322 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 30.5 t -142.12 144.43 25.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -120.58 167.96 11.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 110.349 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.556 ' O ' ' CB ' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -62.22 169.22 2.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 109.336 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.556 ' CB ' ' O ' ' A' ' 49' ' ' LYS . 6.0 t0 87.05 -42.2 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.529 ' O ' ' CD1' ' A' ' 23' ' ' LEU . . . 132.6 -3.01 5.0 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.551 1.157 . . . . 0.0 110.954 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.27 154.55 41.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 0.771 . . . . 0.0 110.972 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -150.63 171.96 30.4 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.519 1.137 . . . . 0.0 110.999 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -149.38 143.67 25.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 0.785 . . . . 0.0 111.026 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.423 HG23 ' CG2' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -151.1 124.47 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -93.77 153.61 18.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.429 1.081 . . . . 0.0 110.319 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.5 ' CE1' ' HB3' ' A' ' 39' ' ' ALA . 14.3 m-85 -128.12 142.7 51.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.558 1.162 . . . . 0.0 110.97 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -82.37 -4.31 57.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -131.27 134.31 46.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.331 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.9 tttp -61.5 -57.29 12.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.565 1.166 . . . . 0.0 109.315 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -44.18 -52.76 7.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.284 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -44.44 -50.49 9.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 109.336 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.436 ' HA ' ' CD2' ' A' ' 57' ' ' TYR . 14.5 ttp -48.33 -60.98 2.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.997 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -62.58 -43.94 97.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.319 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.574 ' CD1' ' HA ' ' A' ' 39' ' ' ALA . 17.0 t80 -50.75 -61.8 1.99 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.961 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.431 ' O ' ' HB2' ' A' ' 70' ' ' LEU . . . -59.41 -38.1 79.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.467 ' HG ' ' CG1' ' A' ' 18' ' ' VAL . 16.4 mt -52.73 -54.54 32.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.269 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.446 ' O ' ' C ' ' A' ' 69' ' ' LYS . 17.8 mmt180 -73.5 -67.38 0.59 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -36.24 -59.87 0.6 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.289 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.637 ' O ' ' C ' ' A' ' 71' ' ' ASP . 20.1 mt -66.21 -62.5 1.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.637 ' C ' ' O ' ' A' ' 70' ' ' LEU . 33.7 t70 18.14 89.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.556 ' OD1' ' CE2' ' A' ' 84' ' ' TYR . 5.6 t70 61.48 102.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 109.331 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.455 ' CG2' ' O ' ' A' ' 70' ' ' LEU . 3.3 p -132.17 -179.39 5.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 110.413 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.1 tttt -107.42 98.7 8.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.486 ' CE1' ' HA ' ' A' ' 32' ' ' LEU . 49.6 t80 -90.43 127.44 36.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.961 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.7 ttp180 -96.6 121.85 38.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 110.321 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 87.0 p -69.76 165.36 21.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 110.007 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.579 ' O ' ' CD2' ' A' ' 78' ' ' HIS . 0.5 OUTLIER -68.54 -12.87 61.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.582 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -96.59 -6.48 36.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.32 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 108.74 -40.68 2.46 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.471 1.107 . . . . 0.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -41.33 151.45 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 0.752 . . . . 0.0 110.286 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 31.8 p -130.33 148.91 52.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.423 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 11.7 m -148.91 165.37 31.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.979 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.556 ' CE2' ' OD1' ' A' ' 72' ' ' ASP . 0.1 OUTLIER -103.1 108.87 20.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 110.98 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.449 ' CD1' HG13 ' A' ' 20' ' ' VAL . 4.1 pt -105.92 130.03 58.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.67 149.98 21.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 110.314 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.8 t -116.77 114.92 47.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.401 ' CD1' ' N ' ' A' ' 88' ' ' TYR . 14.2 p90 -145.81 156.87 51.81 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.986 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 177.33 8.72 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.483 1.781 . . . . 0.0 110.971 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.63 141.68 28.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.326 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.0 ttt-85 -175.66 120.27 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.313 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -139.85 78.57 1.67 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.968 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 19.8 t 61.53 156.6 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 110.021 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -77.75 115.85 4.34 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.496 1.122 . . . . 0.0 110.992 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 147.73 34.35 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.48 1.779 . . . . 0.0 110.998 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 26.7 t -146.99 87.27 1.67 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.47 1.106 . . . . 0.0 109.983 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 8.6 t -132.61 -58.49 0.93 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.032 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.479 1.112 . . . . 0.0 111.036 -179.984 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -155.29 -58.59 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 0.736 . . . . 0.0 110.032 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 t -63.37 146.36 53.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.155 . . . . 0.0 109.992 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.94 101.21 0.23 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.493 1.12 . . . . 0.0 110.978 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.8 p -136.5 127.13 27.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 0.768 . . . . 0.0 110.034 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 57.76 164.47 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 110.001 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 63.62 -145.02 49.66 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.472 1.108 . . . . 0.0 111.04 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 140.23 121.32 1.81 Allowed Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 159.26 41.35 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.513 1.797 . . . . 0.0 110.975 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 171.2 18.8 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.476 1.777 . . . . 0.0 110.983 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 38.7 m -144.12 103.28 3.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 110.367 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.4 49.64 1.84 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.287 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -123.53 173.29 8.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 110.306 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 39.6 m -53.33 159.91 1.27 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.142 . . . . 0.0 110.013 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -116.04 68.43 0.72 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.548 ' CE2' ' HB2' ' A' ' 60' ' ' LYS . 26.0 m-85 -141.6 105.79 4.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 111.004 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.449 ' HD2' ' CD2' ' A' ' 19' ' ' LEU . 0.3 OUTLIER -125.73 176.7 6.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 110.286 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.453 ' CG2' HG22 ' A' ' 55' ' ' VAL . 17.0 m -133.9 119.86 33.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 0.0 109.276 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.449 ' CD2' ' HD2' ' A' ' 17' ' ' ARG . 40.3 mt -84.09 128.05 34.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 65.2 t -115.88 141.49 33.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 109.333 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.505 ' CB ' ' SD ' ' A' ' 52' ' ' MET . 51.9 p -143.8 154.52 43.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.023 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.425 ' O ' ' CG2' ' A' ' 85' ' ' ILE . . . 79.0 60.99 2.45 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.499 1.124 . . . . 0.0 110.979 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.474 HD21 ' CD2' ' A' ' 75' ' ' PHE . 3.9 mt -106.24 158.96 31.37 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.473 0.749 . . . . 0.0 109.3 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 171.36 18.47 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.526 1.803 . . . . 0.0 110.934 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -20.1 17.16 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.531 1.806 . . . . 0.0 111.054 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.402 ' HB2' ' CB ' ' A' ' 77' ' ' SER . 1.2 m -99.93 -14.97 18.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 110.04 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -48.92 134.07 22.56 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.523 1.14 . . . . 0.0 110.993 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.7 m -123.26 169.71 11.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 0.754 . . . . 0.0 109.995 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.613 ' CE3' ' N ' ' A' ' 30' ' ' GLN . 29.4 p-90 -71.6 -39.52 70.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 108.005 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.613 ' N ' ' CE3' ' A' ' 29' ' ' TRP . 1.4 tm0? -50.95 -73.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 110.251 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -50.09 -44.57 52.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.435 ' C ' ' CD2' ' A' ' 32' ' ' LEU . 3.1 tt -53.01 -51.66 60.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 109.325 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.516 ' O ' ' N ' ' A' ' 36' ' ' MET . 15.7 ttpt -58.11 -65.63 0.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.446 ' OD1' ' NE2' ' A' ' 30' ' ' GLN . 1.0 OUTLIER -39.86 -29.66 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.436 ' N ' ' O ' ' A' ' 33' ' ' LYS . 6.0 t60 -82.66 -46.02 13.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.621 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.516 ' N ' ' O ' ' A' ' 33' ' ' LYS . 23.4 mmm -64.43 -39.21 93.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.98 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.486 ' O ' ' C ' ' A' ' 38' ' ' GLU . 5.0 mtm105 -42.47 -25.59 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.306 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.486 ' C ' ' O ' ' A' ' 37' ' ' ARG . 3.7 mm-40 -31.05 -40.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 110.265 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.548 ' HA ' ' CD1' ' A' ' 65' ' ' TYR . . . -66.38 -81.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -148.74 -130.09 1.88 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.537 1.148 . . . . 0.0 111.027 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -88.49 136.86 32.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 0.745 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.8 t -106.77 117.06 51.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.282 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 43.0 t -92.42 -25.52 18.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 108.331 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.513 ' CD1' ' CE ' ' A' ' 54' ' ' MET . 6.6 t80 -127.88 132.81 49.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.127 . . . . 0.0 110.959 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -148.2 114.71 5.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -144.65 163.28 34.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 5.7 p -140.56 139.08 35.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 109.267 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 58.1 mt-30 -108.99 170.16 8.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.269 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.95 -174.26 1.18 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.158 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.4 t0 72.83 -59.44 0.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.277 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.42 ' O ' ' N ' ' A' ' 22' ' ' GLY . . . 149.15 43.98 0.03 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.452 1.095 . . . . 0.0 111.002 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.505 ' SD ' ' CB ' ' A' ' 21' ' ' SER . 26.0 mmm -116.98 171.01 8.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 0.75 . . . . 0.0 110.996 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -157.13 167.97 33.95 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.457 1.098 . . . . 0.0 111.016 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.513 ' CE ' ' CD1' ' A' ' 44' ' ' TYR . 0.0 OUTLIER -152.17 137.39 17.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 0.793 . . . . 0.0 110.961 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.453 HG22 ' CG2' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -147.9 148.79 15.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.577 1.173 . . . . 0.0 109.316 179.939 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.442 ' HB2' ' CB ' ' A' ' 44' ' ' TYR . 2.4 mm-40 -115.22 164.21 14.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.483 ' CD2' ' HA ' ' A' ' 63' ' ' MET . 22.3 m-85 -138.84 143.89 39.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 111.019 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -86.66 7.01 28.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -141.86 132.29 25.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.16 . . . . 0.0 110.297 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.548 ' HB2' ' CE2' ' A' ' 16' ' ' PHE . 12.8 tttt -58.46 -53.67 55.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.238 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -47.61 -54.02 13.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.334 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.404 ' O ' ' HB3' ' A' ' 65' ' ' TYR . 84.8 m-20 -43.09 -51.79 5.67 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 109.344 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.483 ' HA ' ' CD2' ' A' ' 57' ' ' TYR . 20.1 ttp -51.5 -64.18 0.89 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 111.037 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -55.72 -46.04 77.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.548 ' CD1' ' HA ' ' A' ' 39' ' ' ALA . 24.5 t80 -50.51 -64.88 0.67 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.463 ' O ' ' HB2' ' A' ' 70' ' ' LEU . . . -58.16 -38.57 76.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.453 ' O ' ' HB2' ' A' ' 71' ' ' ASP . 18.7 mt -51.13 -57.51 8.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.546 ' O ' ' CB ' ' A' ' 71' ' ' ASP . 4.5 mmp_? -71.65 -66.87 0.58 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 68' ' ' ARG . 0.2 OUTLIER -36.65 -62.81 0.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.682 ' O ' ' C ' ' A' ' 71' ' ' ASP . 30.6 mt -60.68 -50.24 74.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.682 ' C ' ' O ' ' A' ' 70' ' ' LEU . 27.0 t0 -9.49 106.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 14.5 t70 60.84 103.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.339 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -147.43 175.33 10.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 110.402 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.2 tttt -108.07 98.66 8.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.474 ' CD2' HD21 ' A' ' 23' ' ' LEU . 33.2 t80 -83.82 134.82 34.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 111.015 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.3 ttp180 -108.4 112.97 25.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.275 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.402 ' CB ' ' HB2' ' A' ' 26' ' ' SER . 10.1 p -62.38 168.22 3.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.01 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 2.4 p-80 -70.21 -10.77 59.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.555 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -89.68 -1.33 57.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.312 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 95.23 -23.21 34.54 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.478 1.111 . . . . 0.0 111.023 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -58.72 156.18 11.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 0.753 . . . . 0.0 110.319 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.2 p -130.24 146.52 51.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 110.404 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 18.7 m -151.61 166.73 30.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.063 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -100.4 127.19 46.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.996 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.425 ' CG2' ' O ' ' A' ' 22' ' ' GLY . 45.4 pt -115.77 -173.66 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.75 132.74 18.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.12 . . . . 0.0 110.277 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.3 t -105.73 121.06 57.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.449 ' CD1' ' O ' ' A' ' 19' ' ' LEU . 22.4 p90 -147.59 158.31 43.39 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 111.013 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -168.56 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.484 1.781 . . . . 0.0 111.003 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.432 ' HB3' ' CD1' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -126.9 47.46 2.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 110.303 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 67.6 92.45 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.283 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.5 -60.96 1.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.005 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 53.0 p -141.18 138.03 33.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.988 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -108.64 172.84 17.09 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.583 1.177 . . . . 0.0 111.028 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 92.28 0.99 Allowed 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.528 1.804 . . . . 0.0 111.021 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -96.0 -59.2 1.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.021 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.3 m -170.87 152.05 3.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.035 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.5 1.125 . . . . 0.0 110.997 -179.994 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 68.86 -74.29 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 0.756 . . . . 0.0 110.004 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.4 p 51.92 96.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.949 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.85 75.14 0.13 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.475 1.109 . . . . 0.0 111.004 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.3 m -153.89 141.26 19.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 0.776 . . . . 0.0 109.985 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.7 t -50.25 160.45 0.37 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.968 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.31 59.43 0.63 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.458 1.099 . . . . 0.0 111.032 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -45.21 -84.91 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 173.01 15.24 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.51 1.795 . . . . 0.0 110.995 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 167.67 26.54 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.48 1.779 . . . . 0.0 110.989 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 65.1 m 58.98 94.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 110.393 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -136.46 84.56 2.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.335 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.68 -179.43 5.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 0.0 110.291 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.493 ' HB3' ' CD2' ' A' ' 16' ' ' PHE . 10.3 m -43.59 150.81 0.21 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.967 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.466 ' O ' ' CD1' ' A' ' 16' ' ' PHE . 2.3 p-10 -108.76 60.21 0.6 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.493 ' CD2' ' HB3' ' A' ' 14' ' ' SER . 11.8 m-85 -143.35 110.69 5.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.1 . . . . 0.0 111.01 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.449 ' N ' ' SD ' ' A' ' 63' ' ' MET . 0.1 OUTLIER -139.85 177.86 7.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.276 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.462 ' CG2' HG23 ' A' ' 55' ' ' VAL . 34.5 m -136.95 132.75 47.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.422 ' HB2' ' CE2' ' A' ' 88' ' ' TYR . 1.6 mm? -92.84 118.86 31.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.42 1.075 . . . . 0.0 109.29 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.466 HG12 ' CD1' ' A' ' 23' ' ' LEU . 10.0 t -99.12 136.49 29.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 75.2 m -145.84 135.81 23.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.098 . . . . 0.0 110.029 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 108.63 38.16 1.95 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.532 1.145 . . . . 0.0 110.968 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.466 ' CD1' HG12 ' A' ' 20' ' ' VAL . 2.3 mt -88.05 160.46 46.2 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.53 0.782 . . . . 0.0 109.278 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.475 ' HG2' ' CA ' ' A' ' 27' ' ' GLY . 18.4 Cg_endo -74.99 173.72 14.02 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.496 1.788 . . . . 0.0 110.998 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -21.91 15.5 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.537 1.809 . . . . 0.0 111.002 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.406 ' O ' ' O ' ' A' ' 27' ' ' GLY . 38.5 m -108.22 -13.26 14.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.983 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.475 ' CA ' ' HG2' ' A' ' 24' ' ' PRO . . . -40.07 161.89 0.01 OUTLIER Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.577 1.173 . . . . 0.0 111.01 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.9 p -136.79 177.84 7.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 0.747 . . . . 0.0 109.965 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.605 ' CH2' ' NE2' ' A' ' 30' ' ' GLN . 59.8 p-90 -92.94 -41.01 10.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 108.039 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.605 ' NE2' ' CH2' ' A' ' 29' ' ' TRP . 11.8 mm-40 -51.4 -61.6 2.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.281 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.403 ' HB3' ' CZ ' ' A' ' 75' ' ' PHE . 0.3 OUTLIER -58.02 -40.0 79.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.519 ' C ' ' CD2' ' A' ' 32' ' ' LEU . 0.6 OUTLIER -56.74 -51.02 70.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.493 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 1.6 ttpt -53.09 -56.16 18.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.274 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.405 ' HA ' ' HG3' ' A' ' 37' ' ' ARG . 0.4 OUTLIER -45.17 -25.82 0.4 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.403 ' N ' ' C ' ' A' ' 33' ' ' LYS . 6.5 t60 -87.94 -52.33 5.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.103 . . . . 0.0 109.56 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.44 ' C ' ' N ' ' A' ' 38' ' ' GLU . 28.5 mmm -58.62 -39.57 80.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 111.019 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.493 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 6.1 mtm180 -42.01 -26.02 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.483 ' C ' ' O ' ' A' ' 37' ' ' ARG . 0.4 OUTLIER -31.64 -40.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.277 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.571 ' HA ' ' CD1' ' A' ' 65' ' ' TYR . . . -66.3 -80.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -146.31 -130.17 2.11 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.515 1.134 . . . . 0.0 110.952 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -91.85 135.87 33.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 0.786 . . . . 0.0 109.296 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.459 ' CG1' HG11 ' A' ' 55' ' ' VAL . 3.6 t -107.98 116.33 51.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.564 1.165 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 31.7 t -94.6 -29.03 15.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.549 1.155 . . . . 0.0 108.319 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.644 ' CD1' ' CE ' ' A' ' 54' ' ' MET . 7.3 t80 -117.89 129.51 55.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -146.73 114.77 6.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -145.51 155.22 42.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.446 ' CG1' ' HB3' ' A' ' 29' ' ' TRP . 7.7 p -136.94 139.1 45.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -110.33 169.94 8.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.34 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.481 ' O ' ' CB ' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -68.97 174.77 4.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.481 ' CB ' ' O ' ' A' ' 49' ' ' LYS . 1.2 t70 80.48 -58.14 0.32 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 147.36 44.69 0.03 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.545 1.153 . . . . 0.0 110.996 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 1.1 mtt -111.7 163.53 14.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 0.773 . . . . 0.0 110.971 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -152.61 164.85 30.82 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.521 1.138 . . . . 0.0 111.017 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.644 ' CE ' ' CD1' ' A' ' 44' ' ' TYR . 1.6 ttp -152.7 123.14 7.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 0.769 . . . . 0.0 111.027 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.462 HG23 ' CG2' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -134.39 139.54 47.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 109.338 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.469 ' HG3' ' CE ' ' A' ' 54' ' ' MET . 10.7 mt-10 -112.73 142.54 45.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.275 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.492 ' CZ ' ' HB2' ' A' ' 39' ' ' ALA . 45.7 m-85 -114.46 141.24 47.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 110.985 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -80.53 2.14 26.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.26 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -137.95 132.29 32.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.306 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 30.7 tttt -57.85 -53.44 58.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -49.5 -51.2 37.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.286 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.408 ' O ' ' HB1' ' A' ' 39' ' ' ALA . 77.1 m-20 -46.5 -44.44 17.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.481 ' HA ' ' CD2' ' A' ' 57' ' ' TYR . 13.0 ttp -56.91 -63.68 1.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -54.79 -43.94 73.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.292 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.571 ' CD1' ' HA ' ' A' ' 39' ' ' ALA . 31.5 t80 -50.71 -67.68 0.23 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.127 . . . . 0.0 111.006 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.408 ' O ' ' HB2' ' A' ' 70' ' ' LEU . . . -56.51 -38.08 71.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.466 ' CD1' ' HG2' ' A' ' 63' ' ' MET . 20.6 mt -50.93 -58.57 5.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.567 1.167 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.462 ' O ' ' C ' ' A' ' 69' ' ' LYS . 0.1 OUTLIER -72.35 -66.14 0.69 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 110.285 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.462 ' C ' ' O ' ' A' ' 68' ' ' ARG . 1.7 mptp? -35.49 -61.66 0.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.164 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.638 ' O ' ' C ' ' A' ' 71' ' ' ASP . 21.8 mt -65.48 -62.48 1.5 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.638 ' C ' ' O ' ' A' ' 70' ' ' LEU . 67.3 t0 16.69 76.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.435 ' CB ' ' O ' ' A' ' 71' ' ' ASP . 8.3 t70 77.23 104.49 0.07 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.461 ' CG2' ' O ' ' A' ' 70' ' ' LEU . 22.7 p -140.88 166.12 25.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.357 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.9 tttt -93.11 99.44 12.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.487 ' CE1' ' HA ' ' A' ' 32' ' ' LEU . 18.9 t80 -90.63 112.59 24.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.536 1.148 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.462 ' CB ' HG22 ' A' ' 82' ' ' THR . 10.7 ttp180 -97.65 110.14 22.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 110.271 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.406 ' OG ' ' OE1' ' A' ' 79' ' ' GLU . 2.7 p -67.64 175.47 2.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.958 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.499 ' CD2' ' HG3' ' A' ' 79' ' ' GLU . 0.7 OUTLIER -72.29 -12.08 60.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 0.0 109.621 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.499 ' HG3' ' CD2' ' A' ' 78' ' ' HIS . 0.6 OUTLIER -85.9 0.8 52.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.374 179.926 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 86.6 -16.49 45.18 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.501 1.125 . . . . 0.0 110.974 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -67.72 144.25 55.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 0.762 . . . . 0.0 110.337 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.462 HG22 ' CB ' ' A' ' 76' ' ' ARG . 65.0 p -126.99 135.38 50.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.433 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 21.1 m -140.27 146.97 39.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.004 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -81.65 111.95 18.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.961 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 13.3 pt -108.62 133.34 53.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.329 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.14 153.45 17.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 110.255 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.419 ' CG2' ' HB2' ' A' ' 70' ' ' LEU . 1.6 t -122.37 119.38 58.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.088 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.422 ' CE2' ' HB2' ' A' ' 19' ' ' LEU . 40.6 p90 -153.39 154.52 30.72 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 111.024 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 174.06 13.45 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.514 1.797 . . . . 0.0 110.985 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -89.0 152.21 21.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 110.283 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -128.84 111.83 13.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.266 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -159.64 -68.01 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.987 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.0 m 55.05 77.16 0.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.015 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 168.04 80.57 0.04 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.545 1.153 . . . . 0.0 111.01 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 60.27 5.37 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.569 1.826 . . . . 0.0 111.041 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.45 140.58 30.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.095 . . . . 0.0 110.008 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 14.6 m 62.13 146.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.989 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.493 1.121 . . . . 0.0 110.994 -179.964 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -55.71 162.8 1.58 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 0.787 . . . . 0.0 109.965 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -122.56 159.68 27.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.981 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 68.93 -109.1 2.73 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.488 1.118 . . . . 0.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -169.03 131.06 1.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 0.766 . . . . 0.0 109.989 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.4 t 62.54 135.71 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.957 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.92 123.27 0.83 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.506 1.129 . . . . 0.0 111.006 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 131.35 -149.76 19.31 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 166.67 28.76 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.531 1.806 . . . . 0.0 111.029 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 11' ' ' THR . 18.2 Cg_endo -75.04 61.98 5.81 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.469 1.773 . . . . 0.0 110.995 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 10' ' ' PRO . 54.5 p -37.66 116.34 0.48 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 110.44 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -138.84 36.02 2.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.331 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.499 ' CZ ' ' HB3' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -92.11 -29.71 16.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 110.33 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.46 ' O ' ' CE2' ' A' ' 16' ' ' PHE . 0.9 OUTLIER -149.46 -47.99 0.14 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.119 . . . . 0.0 110.008 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.588 ' O ' ' CD1' ' A' ' 16' ' ' PHE . 19.1 t70 57.87 59.78 3.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.588 ' CD1' ' O ' ' A' ' 15' ' ' ASP . 27.2 m-85 -148.83 102.05 3.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.991 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.29 176.96 6.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.317 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.468 ' CG2' HG21 ' A' ' 55' ' ' VAL . 24.1 m -133.13 133.63 58.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.575 ' O ' ' CE1' ' A' ' 88' ' ' TYR . 13.2 mt -91.78 120.87 32.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.337 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.443 ' CG1' HD11 ' A' ' 23' ' ' LEU . 54.4 t -101.29 141.71 17.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 93.1 p -149.08 150.21 32.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.009 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 51' ' ' GLY . . . 84.33 44.93 6.38 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.512 1.132 . . . . 0.0 110.966 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.469 ' CD2' HG22 ' A' ' 85' ' ' ILE . 9.1 mt -91.31 158.27 41.29 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.508 0.769 . . . . 0.0 109.255 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 173.03 15.22 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.496 1.787 . . . . 0.0 110.959 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -20.95 16.29 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.522 1.801 . . . . 0.0 110.974 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.461 ' CB ' ' HB2' ' A' ' 79' ' ' GLU . 1.5 m -104.56 -11.53 16.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.976 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -50.8 128.47 29.35 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.525 1.14 . . . . 0.0 111.02 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 74.4 m -114.73 -179.03 3.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 0.779 . . . . 0.0 109.989 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.531 ' CZ3' ' HG2' ' A' ' 30' ' ' GLN . 55.2 p-90 -83.3 -39.56 20.64 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.531 ' HG2' ' CZ3' ' A' ' 29' ' ' TRP . 71.6 mt-30 -48.93 -73.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 110.311 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -49.32 -40.94 36.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.344 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.431 HD21 ' CG ' ' A' ' 36' ' ' MET . 5.7 tt -55.81 -55.11 36.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.118 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.474 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 2.1 tttm -53.42 -64.01 0.96 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.098 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -41.17 -28.79 0.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.253 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.422 ' N ' ' O ' ' A' ' 33' ' ' LYS . 6.2 t60 -85.38 -56.79 3.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.619 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.436 ' C ' ' N ' ' A' ' 38' ' ' GLU . 26.2 mmm -54.76 -39.62 68.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.979 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.483 ' O ' ' C ' ' A' ' 38' ' ' GLU . 5.8 mmm180 -43.25 -25.09 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.292 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.483 ' C ' ' O ' ' A' ' 37' ' ' ARG . 1.0 OUTLIER -31.68 -40.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.304 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.566 ' HA ' ' CD1' ' A' ' 65' ' ' TYR . . . -66.98 -81.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.307 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -145.84 -136.1 2.89 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.503 1.127 . . . . 0.0 111.042 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -88.34 127.03 35.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 0.764 . . . . 0.0 109.257 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 22.4 t -92.22 111.67 24.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.4 p -86.43 -26.07 24.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 108.31 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.572 ' CD1' ' HE1' ' A' ' 54' ' ' MET . 5.5 t80 -129.45 133.72 47.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.984 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -146.18 112.33 5.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -145.22 134.53 22.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.0 p -103.38 152.26 6.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.32 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -118.52 155.36 30.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.281 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.433 ' O ' ' CB ' ' A' ' 50' ' ' ASP . 0.1 OUTLIER -68.66 173.55 5.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.329 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.433 ' CB ' ' O ' ' A' ' 49' ' ' LYS . 8.7 t70 76.85 -56.92 0.54 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.463 ' O ' ' N ' ' A' ' 22' ' ' GLY . . . 153.08 43.98 0.02 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.454 1.096 . . . . 0.0 110.999 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -120.8 158.46 27.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 0.786 . . . . 0.0 111.002 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -145.35 167.44 27.44 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.525 1.14 . . . . 0.0 111.042 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.572 ' HE1' ' CD1' ' A' ' 44' ' ' TYR . 0.0 OUTLIER -152.45 115.83 4.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 0.745 . . . . 0.0 111.023 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.468 HG21 ' CG2' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -130.59 147.99 33.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.515 ' CG ' ' CE ' ' A' ' 54' ' ' MET . 2.6 mt-10 -115.1 167.15 11.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.328 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.451 ' CD2' ' HA ' ' A' ' 63' ' ' MET . 26.6 m-85 -139.34 147.97 42.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 111.024 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 23.9 mt -90.04 10.21 25.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.332 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -143.96 135.56 26.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 110.284 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.513 ' HB2' ' CE2' ' A' ' 16' ' ' PHE . 79.5 tttt -60.27 -55.86 28.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -48.9 -50.89 32.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.287 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.4 ' O ' ' HB3' ' A' ' 39' ' ' ALA . 70.0 m-20 -44.34 -46.26 9.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.451 ' HA ' ' CD2' ' A' ' 57' ' ' TYR . 17.7 ttp -55.26 -63.89 1.01 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -57.16 -43.3 82.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.274 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.566 ' CD1' ' HA ' ' A' ' 39' ' ' ALA . 30.8 t80 -50.16 -66.34 0.41 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 110.999 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.414 ' O ' ' HB2' ' A' ' 70' ' ' LEU . . . -57.34 -38.74 74.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.459 ' HG ' ' CG1' ' A' ' 18' ' ' VAL . 20.1 mt -50.3 -58.49 5.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.46 ' O ' ' C ' ' A' ' 69' ' ' LYS . 21.0 mmt85 -72.73 -66.62 0.64 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.097 . . . . 0.0 110.334 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 68' ' ' ARG . 0.2 OUTLIER -35.22 -62.06 0.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.693 ' O ' ' C ' ' A' ' 71' ' ' ASP . 22.2 mt -64.15 -59.12 4.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.693 ' C ' ' O ' ' A' ' 70' ' ' LEU . 55.4 t0 10.17 93.45 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 20.0 t70 61.2 110.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -152.48 157.34 41.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.386 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.5 ttpt -80.88 98.94 8.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.421 ' CD2' HD22 ' A' ' 23' ' ' LEU . 30.5 t80 -86.91 122.18 30.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 111.028 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.8 ttt-85 -88.28 114.22 24.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 110.336 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 60.4 p -69.81 163.27 26.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.994 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.18 -17.55 62.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.618 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.461 ' HB2' ' CB ' ' A' ' 26' ' ' SER . 3.2 mm-40 -93.56 6.05 49.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.268 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 91.64 -37.93 3.3 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.5 1.125 . . . . 0.0 111.019 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -46.27 132.03 10.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 0.737 . . . . 0.0 110.268 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 32.9 p -109.38 149.86 28.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.44 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 53.3 m -155.33 167.35 30.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.973 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -99.49 126.2 45.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.954 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.469 HG22 ' CD2' ' A' ' 23' ' ' LEU . 13.6 pt -121.46 133.22 68.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.327 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.82 147.6 23.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.333 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.9 t -120.47 114.23 43.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.343 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.575 ' CE1' ' O ' ' A' ' 19' ' ' LEU . 9.4 p90 -141.75 157.5 64.67 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 175.05 11.74 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.47 1.774 . . . . 0.0 111.02 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.435 ' HG2' ' CD1' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -97.88 147.97 23.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.284 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.428 ' NH1' ' HB3' ' A' ' 91' ' ' ARG . 4.0 ptp180 -88.52 148.29 24.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.263 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -158.96 117.31 2.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.02 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 88.3 p -179.54 166.77 1.42 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.038 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -163.27 147.03 12.37 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.523 1.139 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 74.82 3.9 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.529 1.805 . . . . 0.0 111.014 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 50.3 m -110.84 -60.95 1.76 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.537 1.148 . . . . 0.0 109.999 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 27.1 p -162.82 168.92 20.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.985 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.491 1.119 . . . . 0.0 110.999 -179.952 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.6 t -115.68 -58.26 2.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 0.777 . . . . 0.0 110.032 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.6 m -89.44 107.57 19.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.974 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.85 112.17 3.04 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.539 1.149 . . . . 0.0 110.999 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.1 m -73.18 129.02 37.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 0.77 . . . . 0.0 109.978 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.18 -55.39 32.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.984 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.45 61.72 5.16 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.486 1.116 . . . . 0.0 110.984 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 85.25 -145.27 21.24 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 165.5 31.19 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.455 1.766 . . . . 0.0 110.993 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 123.43 7.87 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.527 1.804 . . . . 0.0 110.968 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.8 t -62.82 152.12 36.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 110.378 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.76 85.06 1.81 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.28 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.24 176.12 7.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 110.294 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -41.09 145.93 0.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.993 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -97.77 38.13 1.33 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -124.93 111.28 15.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 110.968 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.443 ' N ' ' SD ' ' A' ' 63' ' ' MET . 1.7 ptt-85 -141.33 174.71 10.29 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.135 . . . . 0.0 110.326 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.465 ' CG1' ' HG ' ' A' ' 67' ' ' LEU . 36.0 m -131.38 130.81 63.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.09 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.591 ' HB2' ' CE2' ' A' ' 88' ' ' TYR . 0.9 OUTLIER -93.14 116.14 28.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.406 HG13 ' CD1' ' A' ' 85' ' ' ILE . 57.9 t -96.54 139.03 20.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.0 m -143.63 143.21 31.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.994 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 51' ' ' GLY . . . 96.96 41.78 3.45 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.494 1.121 . . . . 0.0 111.031 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.542 HD22 ' CD2' ' A' ' 75' ' ' PHE . 6.7 mt -89.34 158.33 46.32 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.523 0.778 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 171.6 18.0 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.508 1.794 . . . . 0.0 111.014 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -24.24 12.98 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.456 1.766 . . . . 0.0 110.983 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.3 m -105.3 -4.82 21.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.019 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -60.5 145.84 46.9 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.488 1.117 . . . . 0.0 110.998 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 45.4 m -122.77 -177.5 3.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 0.784 . . . . 0.0 109.969 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.571 ' CZ3' ' HG2' ' A' ' 30' ' ' GLN . 54.7 p-90 -90.54 -35.87 14.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.14 . . . . 0.0 108.034 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.571 ' HG2' ' CZ3' ' A' ' 29' ' ' TRP . 46.3 mt-30 -49.3 -73.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.34 -40.34 34.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.509 ' C ' ' CD2' ' A' ' 32' ' ' LEU . 0.8 OUTLIER -55.29 -48.91 73.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.485 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 19.3 ttpt -55.71 -60.98 2.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -42.69 -27.25 0.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.415 ' N ' ' C ' ' A' ' 33' ' ' LYS . 3.6 t-160 -86.37 -57.36 3.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.63 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.441 ' C ' ' N ' ' A' ' 38' ' ' GLU . 28.0 mmm -54.45 -38.95 66.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 111.011 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.485 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 8.3 mmm-85 -42.25 -26.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.312 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.481 ' C ' ' O ' ' A' ' 37' ' ' ARG . 4.5 mm-40 -31.6 -40.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.31 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.573 ' HA ' ' CD1' ' A' ' 65' ' ' TYR . . . -64.8 -81.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -146.21 -127.1 1.83 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.515 1.135 . . . . 0.0 110.992 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -97.0 126.16 41.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 0.779 . . . . 0.0 109.268 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.478 ' CG1' HG12 ' A' ' 55' ' ' VAL . 9.3 t -94.1 114.07 30.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 45.6 t -86.77 -31.02 21.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 108.283 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.561 ' CD1' ' HE2' ' A' ' 54' ' ' MET . 31.2 t80 -126.29 137.69 53.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 111.0 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -152.03 114.08 4.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.552 1.157 . . . . 0.0 109.319 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -140.21 162.95 34.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.536 ' CG2' ' HB3' ' A' ' 29' ' ' TRP . 0.9 OUTLIER -134.4 152.54 33.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.259 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -121.89 169.99 10.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 110.314 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.411 ' O ' ' CB ' ' A' ' 50' ' ' ASP . 1.5 tttm -73.55 175.01 7.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.411 ' CB ' ' O ' ' A' ' 49' ' ' LYS . 11.2 t0 75.74 -57.45 0.57 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.336 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 22' ' ' GLY . . . 151.17 44.18 0.02 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.442 1.089 . . . . 0.0 110.97 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -113.11 160.9 17.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 0.756 . . . . 0.0 110.96 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -155.53 167.48 33.04 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.467 1.104 . . . . 0.0 111.021 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.561 ' HE2' ' CD1' ' A' ' 44' ' ' TYR . 2.7 ttp -153.19 129.89 10.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 0.775 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.478 HG12 ' CG1' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -138.24 133.17 43.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.269 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.549 ' OE2' ' CG ' ' A' ' 44' ' ' TYR . 32.5 mt-10 -105.84 148.35 27.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.3 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.522 ' CD2' ' HA ' ' A' ' 63' ' ' MET . 41.9 m-85 -119.92 142.11 49.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 111.022 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 21.7 mt -75.96 -17.62 59.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.431 ' HB3' ' NH1' ' A' ' 59' ' ' ARG . 6.1 mmm180 -118.17 139.01 51.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 110.265 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 40.7 tttt -61.29 -54.27 46.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.335 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -47.75 -53.69 14.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.287 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.4 ' O ' ' HB3' ' A' ' 65' ' ' TYR . 78.2 m-20 -40.19 -51.61 2.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.522 ' HA ' ' CD2' ' A' ' 57' ' ' TYR . 11.1 ttp -51.53 -63.78 1.02 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 111.006 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -56.57 -45.56 81.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.311 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.573 ' CD1' ' HA ' ' A' ' 39' ' ' ALA . 24.3 t80 -50.55 -64.53 0.78 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.977 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.416 ' O ' ' HB2' ' A' ' 70' ' ' LEU . . . -58.49 -37.96 76.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.465 ' HG ' ' CG1' ' A' ' 18' ' ' VAL . 18.5 mt -51.54 -57.59 8.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.351 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.453 ' O ' ' C ' ' A' ' 69' ' ' LYS . 20.8 mmt180 -72.5 -66.26 0.68 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 110.303 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 68' ' ' ARG . 2.8 mptp? -35.83 -61.1 0.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.63 ' O ' ' C ' ' A' ' 71' ' ' ASP . 20.4 mt -65.86 -63.01 1.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.63 ' C ' ' O ' ' A' ' 70' ' ' LEU . 31.8 t70 18.21 87.94 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.578 ' OD1' ' CD2' ' A' ' 84' ' ' TYR . 31.1 t0 68.27 98.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.558 1.162 . . . . 0.0 109.286 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.44 ' CG2' ' O ' ' A' ' 70' ' ' LEU . 17.9 p -131.59 163.74 27.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 110.436 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.8 tttt -92.98 100.21 12.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.298 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.542 ' CD2' HD22 ' A' ' 23' ' ' LEU . 38.5 t80 -87.1 126.56 34.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.153 . . . . 0.0 110.955 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 31.9 ttp180 -96.44 114.94 26.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.297 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 31.8 p -71.61 157.83 37.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.987 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -58.4 -18.36 27.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.632 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -92.15 2.85 56.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 110.286 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 93.33 -38.36 3.17 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.515 1.134 . . . . 0.0 110.995 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -42.98 128.66 4.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 0.769 . . . . 0.0 110.285 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.9 p -106.95 147.36 29.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.373 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 32.8 m -151.57 158.07 43.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.003 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.578 ' CD2' ' OD1' ' A' ' 72' ' ' ASP . 0.2 OUTLIER -93.46 119.0 32.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.425 1.078 . . . . 0.0 110.966 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.406 ' CD1' HG13 ' A' ' 20' ' ' VAL . 5.3 pt -112.34 129.88 67.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.89 151.0 20.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.301 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.434 HG13 ' CD2' ' A' ' 67' ' ' LEU . 2.3 t -121.28 121.81 65.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.591 ' CE2' ' HB2' ' A' ' 19' ' ' LEU . 33.7 p90 -151.92 156.99 34.46 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 110.984 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 175.05 11.76 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.493 1.786 . . . . 0.0 111.008 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.479 ' CB ' HD23 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -95.77 147.57 23.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -137.44 112.71 9.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.274 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.23 139.62 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.029 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 67.6 p -81.07 155.66 26.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 109.989 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -170.04 161.8 35.03 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.535 1.147 . . . . 0.0 110.944 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 100.64 1.38 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.465 1.771 . . . . 0.0 111.032 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.5 -58.51 3.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.003 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 15.8 m 59.29 107.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.016 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.531 1.144 . . . . 0.0 111.01 179.998 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 65.53 123.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 0.76 . . . . 0.0 109.994 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.9 t -138.13 153.55 49.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.006 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 119.85 -134.79 10.73 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.56 1.162 . . . . 0.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.3 p -134.43 106.72 7.19 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 0.743 . . . . 0.0 110.004 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.33 165.89 10.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.145 . . . . 0.0 110.015 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.53 157.08 48.99 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.494 1.121 . . . . 0.0 110.987 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -156.83 -145.88 4.32 Favored Glycine 0 CA--C 1.529 0.944 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 153.89 41.77 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.499 1.789 . . . . 0.0 110.993 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.431 ' O ' ' CG2' ' A' ' 11' ' ' THR . 18.2 Cg_endo -75.01 156.33 42.93 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.532 1.806 . . . . 0.0 110.981 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.431 ' CG2' ' O ' ' A' ' 10' ' ' PRO . 5.6 t 51.66 172.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.375 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.46 ' C ' ' CD ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -110.07 -142.18 0.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.318 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.486 ' N ' ' CD ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -158.53 -179.77 8.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.283 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -103.38 -73.46 0.67 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.965 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.594 ' OD2' ' CE1' ' A' ' 16' ' ' PHE . 7.8 t70 173.19 -56.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.594 ' CE1' ' OD2' ' A' ' 15' ' ' ASP . 7.7 m-85 -79.36 107.91 12.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 110.987 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.1 ptp85 -124.01 170.7 10.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.298 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.454 ' CG2' HG22 ' A' ' 55' ' ' VAL . 18.2 m -133.93 122.11 41.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.489 ' HB2' ' CE2' ' A' ' 88' ' ' TYR . 10.8 mt -82.11 125.99 31.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 50.5 t -111.14 136.49 47.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.339 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 57.1 p -142.73 152.38 42.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.01 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 51' ' ' GLY . . . 87.9 41.65 6.26 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.561 1.163 . . . . 0.0 110.999 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.463 HD21 ' CD2' ' A' ' 75' ' ' PHE . 5.2 mt -88.98 156.9 49.1 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.486 0.757 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 171.66 17.89 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.512 1.796 . . . . 0.0 110.936 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -17.52 19.45 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.478 1.778 . . . . 0.0 111.0 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 45.6 m -106.72 -14.66 14.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 110.05 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -39.24 148.15 0.13 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.511 1.132 . . . . 0.0 111.015 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.2 m -132.04 172.48 12.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 0.773 . . . . 0.0 110.017 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.581 ' CE3' ' N ' ' A' ' 30' ' ' GLN . 31.6 p-90 -83.34 -39.13 21.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 108.014 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.581 ' N ' ' CE3' ' A' ' 29' ' ' TRP . 0.2 OUTLIER -50.05 -71.08 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.336 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.89 -40.48 60.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 0.0 109.335 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.439 ' C ' ' CD2' ' A' ' 32' ' ' LEU . 3.0 tt -57.16 -51.97 67.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.518 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 13.4 tttt -54.49 -62.14 1.85 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -47.24 -23.39 0.54 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.42 ' N ' ' C ' ' A' ' 33' ' ' LYS . 5.6 t60 -86.82 -51.53 6.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.6 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.446 ' C ' ' N ' ' A' ' 38' ' ' GLU . 27.0 mmm -63.49 -41.01 98.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.135 . . . . 0.0 110.993 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.518 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 1.5 mmm180 -41.43 -26.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.496 ' C ' ' O ' ' A' ' 37' ' ' ARG . 2.9 mm-40 -30.98 -40.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.277 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.588 ' HA ' ' CD1' ' A' ' 65' ' ' TYR . . . -63.99 -82.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -151.0 -133.06 2.0 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.506 1.129 . . . . 0.0 111.04 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.461 ' O ' ' CD1' ' A' ' 58' ' ' LEU . 1.3 t70 -84.17 126.06 32.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 0.793 . . . . 0.0 109.299 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 73.1 t -86.3 125.26 40.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 6.3 t -90.23 -21.78 21.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 108.369 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.549 ' CD2' ' HE1' ' A' ' 54' ' ' MET . 76.0 t80 -154.69 145.67 22.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 111.016 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -152.39 117.89 5.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.401 ' HB2' ' CE2' ' A' ' 44' ' ' TYR . 1.1 t70 -147.85 160.65 42.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.123 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.5 p -135.6 145.0 32.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 109.312 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -119.25 169.89 9.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 110.285 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.409 ' O ' ' CB ' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -69.71 -177.7 1.31 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.276 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.409 ' CB ' ' O ' ' A' ' 49' ' ' LYS . 8.2 t70 75.51 -57.63 0.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.436 1.085 . . . . 0.0 109.331 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 22' ' ' GLY . . . 142.88 44.61 0.05 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.532 1.145 . . . . 0.0 111.007 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 6.7 mtt -125.92 158.48 35.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.442 0.731 . . . . 0.0 110.958 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -153.07 173.38 31.97 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.552 1.158 . . . . 0.0 110.992 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.549 ' HE1' ' CD2' ' A' ' 44' ' ' TYR . 4.0 ttp -152.08 136.8 17.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 0.78 . . . . 0.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.454 HG22 ' CG2' ' A' ' 18' ' ' VAL . 0.1 OUTLIER -137.97 142.38 36.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -120.26 139.53 52.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.318 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.434 ' CD2' ' HA ' ' A' ' 63' ' ' MET . 40.8 m-85 -113.7 167.58 10.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 111.008 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.461 ' CD1' ' O ' ' A' ' 41' ' ' ASP . 2.1 mp -94.66 -26.15 16.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.267 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.9 mmm-85 -112.59 140.74 47.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.329 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.42 ' HA ' ' CG ' ' A' ' 16' ' ' PHE . 65.5 tttt -59.88 -54.44 46.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.342 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -44.37 -54.14 6.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.258 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.409 ' O ' ' HB1' ' A' ' 39' ' ' ALA . 70.5 m-20 -40.48 -51.73 2.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 109.3 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.448 ' HG2' ' CD1' ' A' ' 67' ' ' LEU . 22.4 ttp -52.9 -65.34 0.58 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 111.035 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -53.84 -46.23 71.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.155 . . . . 0.0 110.289 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.588 ' CD1' ' HA ' ' A' ' 39' ' ' ALA . 25.1 t80 -50.21 -65.7 0.52 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.415 ' O ' ' HB2' ' A' ' 70' ' ' LEU . . . -57.17 -38.71 74.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.453 ' HG ' ' CG1' ' A' ' 18' ' ' VAL . 20.5 mt -51.22 -56.79 11.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.465 ' O ' ' C ' ' A' ' 69' ' ' LYS . 2.4 mmt180 -73.1 -67.43 0.57 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.281 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.465 ' C ' ' O ' ' A' ' 68' ' ' ARG . 0.2 OUTLIER -34.92 -60.45 0.45 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.657 ' O ' ' C ' ' A' ' 71' ' ' ASP . 19.8 mt -66.13 -62.29 1.57 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.657 ' C ' ' O ' ' A' ' 70' ' ' LEU . 22.7 t0 15.89 89.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.453 ' N ' ' OD1' ' A' ' 72' ' ' ASP . 0.2 OUTLIER 65.52 101.17 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.439 1.087 . . . . 0.0 109.329 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.459 ' CG2' ' O ' ' A' ' 70' ' ' LEU . 6.1 p -133.83 170.59 15.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.424 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.3 tttt -96.34 99.56 11.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.463 ' CD2' HD21 ' A' ' 23' ' ' LEU . 40.8 t80 -88.56 133.32 34.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.988 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 13.2 ttp180 -112.13 115.5 28.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.307 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 92.8 p -67.89 174.28 3.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.005 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.411 ' CD2' ' HG2' ' A' ' 79' ' ' GLU . 0.3 OUTLIER -74.23 -8.56 56.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.616 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.411 ' HG2' ' CD2' ' A' ' 78' ' ' HIS . 7.0 mm-40 -90.69 -5.37 55.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 110.3 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 98.23 -26.61 22.92 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.531 1.145 . . . . 0.0 111.02 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -53.99 156.32 3.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 0.749 . . . . 0.0 110.29 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.7 p -132.51 146.76 52.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 110.354 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 39.1 m -151.92 167.58 27.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 109.988 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -103.39 116.9 33.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.994 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 11.6 pt -113.87 133.09 60.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.338 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.419 ' N ' ' HD3' ' A' ' 86' ' ' ARG . 0.0 OUTLIER -90.88 154.3 19.59 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.465 1.103 . . . . 0.0 110.301 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.8 t -123.11 113.55 38.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.133 . . . . 0.0 109.268 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.489 ' CE2' ' HB2' ' A' ' 19' ' ' LEU . 8.7 p90 -139.68 157.17 70.53 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.991 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 167.19 27.6 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.506 1.793 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.438 ' HG2' ' CD1' ' A' ' 19' ' ' LEU . 1.6 tm-20 -84.99 111.65 19.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.33 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -117.08 161.45 19.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.2 m 50.74 97.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.018 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 21.3 t -173.88 79.65 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.999 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -95.85 -178.34 36.39 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.501 1.126 . . . . 0.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 134.27 17.55 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.468 1.773 . . . . 0.0 111.0 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.71 133.69 55.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.997 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 5.8 t 72.15 -67.93 0.24 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.962 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 O-C-N 124.426 1.079 . . . . 0.0 111.013 -179.982 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.4 m 57.29 109.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 0.795 . . . . 0.0 110.017 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.6 t -114.05 95.01 5.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.981 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.16 -138.46 5.34 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.465 1.103 . . . . 0.0 110.999 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.9 p -156.21 130.62 8.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 0.784 . . . . 0.0 109.987 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.3 p -78.17 119.62 21.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.015 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.58 92.43 0.16 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.552 1.158 . . . . 0.0 110.948 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -156.11 -92.87 0.09 OUTLIER Glycine 0 CA--C 1.531 1.043 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 150.6 38.21 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.495 1.787 . . . . 0.0 110.972 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 135.84 19.66 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.472 1.775 . . . . 0.0 110.951 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.8 t -76.0 116.54 16.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.399 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.74 62.06 1.95 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.286 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.9 mpt_? -128.72 172.63 11.07 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.303 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 57.0 m -42.15 162.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.544 1.152 . . . . 0.0 109.94 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.583 ' O ' ' CD1' ' A' ' 16' ' ' PHE . 25.1 m-20 -112.2 70.3 0.71 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.459 1.099 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.583 ' CD1' ' O ' ' A' ' 15' ' ' ASP . 28.3 m-85 -148.89 98.28 2.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 110.988 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 11.8 ptp180 -121.9 177.8 5.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 110.259 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.465 ' CG1' ' HG ' ' A' ' 67' ' ' LEU . 12.6 m -135.05 122.64 37.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.0 mt -82.25 128.98 34.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.272 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.403 ' O ' ' N ' ' A' ' 53' ' ' GLY . 2.6 t -120.47 145.47 26.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.403 ' N ' HG11 ' A' ' 20' ' ' VAL . 0.3 OUTLIER -150.6 147.44 27.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.017 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 99.57 27.8 7.84 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.501 1.125 . . . . 0.0 111.038 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.406 ' HB2' ' O ' ' A' ' 51' ' ' GLY . 9.8 mt -70.54 155.95 92.65 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.485 0.756 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.41 ' HG2' ' CA ' ' A' ' 27' ' ' GLY . 18.3 Cg_endo -74.99 172.56 16.11 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.487 1.783 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -14.2 21.3 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.466 1.772 . . . . 0.0 111.009 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.8 m -112.07 -22.67 10.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.989 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.41 ' CA ' ' HG2' ' A' ' 24' ' ' PRO . . . -39.89 148.96 0.15 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.457 1.098 . . . . 0.0 111.053 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 93.3 p -134.82 169.03 17.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 0.771 . . . . 0.0 109.978 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.549 ' CE3' ' N ' ' A' ' 30' ' ' GLN . 32.0 p-90 -72.38 -38.1 68.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 108.009 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.549 ' N ' ' CE3' ' A' ' 29' ' ' TRP . 0.0 OUTLIER -54.29 -71.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.292 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.51 -33.61 45.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.464 ' C ' ' CD2' ' A' ' 32' ' ' LEU . 2.1 tt -61.76 -51.72 67.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.54 1.15 . . . . 0.0 109.261 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.489 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 17.5 ttpt -55.5 -59.98 4.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.263 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -40.36 -29.21 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 109.295 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.435 ' N ' ' O ' ' A' ' 33' ' ' LYS . 3.5 t-160 -85.16 -60.53 2.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.639 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.428 ' C ' ' N ' ' A' ' 38' ' ' GLU . 28.7 mmm -50.98 -37.68 46.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.998 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.489 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 6.9 mmm180 -43.84 -25.14 0.17 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.46 1.1 . . . . 0.0 110.253 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.478 ' C ' ' O ' ' A' ' 37' ' ' ARG . 5.8 mm-40 -31.92 -40.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.302 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.586 ' HA ' ' CD1' ' A' ' 65' ' ' TYR . . . -60.38 -72.29 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -156.73 -111.32 0.34 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.499 1.124 . . . . 0.0 110.996 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -114.37 121.74 44.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 0.777 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.453 ' CG1' HG13 ' A' ' 55' ' ' VAL . 14.2 t -85.58 127.8 39.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.443 ' HB2' ' CD2' ' A' ' 58' ' ' LEU . 19.2 t -89.66 -34.14 16.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 108.314 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 58.6 t80 -143.84 142.75 31.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -148.13 119.99 8.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.416 1.072 . . . . 0.0 109.297 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -134.96 166.8 22.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.459 HG22 ' CA ' ' A' ' 29' ' ' TRP . 54.8 t -137.34 142.91 35.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -117.65 166.54 12.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.274 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.565 ' O ' ' CB ' ' A' ' 50' ' ' ASP . 48.6 pttt -66.14 165.73 13.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.565 ' CB ' ' O ' ' A' ' 49' ' ' LYS . 4.0 t70 88.12 -34.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.406 ' O ' ' HB2' ' A' ' 23' ' ' LEU . . . 125.89 5.95 6.14 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.479 1.112 . . . . 0.0 110.985 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.403 ' HA ' ' HA ' ' A' ' 21' ' ' SER . 0.0 OUTLIER -74.05 157.72 35.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 0.754 . . . . 0.0 110.999 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -149.05 163.79 29.16 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.515 1.134 . . . . 0.0 111.044 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -148.14 138.11 22.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 0.77 . . . . 0.0 110.988 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.453 HG13 ' CG1' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -144.26 121.65 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -99.52 116.89 32.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.267 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.56 ' CE1' ' HB3' ' A' ' 39' ' ' ALA . 27.6 m-85 -86.02 176.43 8.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 111.032 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.443 ' CD2' ' HB2' ' A' ' 43' ' ' CYS . 13.5 mt -101.66 -24.43 14.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.16 . . . . 0.0 109.33 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -121.87 143.59 49.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 69.3 tttt -59.92 -54.64 43.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.273 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.15 -55.31 2.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.266 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -43.01 -50.99 5.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.122 . . . . 0.0 109.321 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 16.3 ttp -50.31 -65.67 0.52 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.974 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -56.74 -45.35 82.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.272 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.586 ' CD1' ' HA ' ' A' ' 39' ' ' ALA . 20.0 t80 -50.7 -63.41 1.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.984 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.455 ' CB ' ' HB2' ' A' ' 39' ' ' ALA . . . -59.37 -37.39 77.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.468 ' CD2' HG11 ' A' ' 87' ' ' VAL . 18.9 mt -52.2 -56.21 16.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.448 ' O ' ' C ' ' A' ' 69' ' ' LYS . 22.2 mmt180 -73.18 -66.3 0.7 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 110.315 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 68' ' ' ARG . 1.8 mptm? -36.5 -60.53 0.58 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.635 ' O ' ' C ' ' A' ' 71' ' ' ASP . 18.1 mt -65.98 -62.28 1.58 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.635 ' C ' ' O ' ' A' ' 70' ' ' LEU . 38.7 t70 17.7 79.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 18.9 t0 73.68 104.92 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.426 HG21 ' CA ' ' A' ' 70' ' ' LEU . 16.0 p -138.38 169.33 17.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.443 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.2 ttmt -95.98 98.95 10.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -85.81 132.29 34.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 110.982 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.7 ttp180 -108.01 111.56 23.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 110.334 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 85.3 p -64.0 172.12 2.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.976 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -72.89 -13.55 61.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.604 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -92.63 -4.97 52.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 110.273 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 102.66 -34.3 5.85 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.557 1.161 . . . . 0.0 111.037 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -42.83 149.22 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.562 0.801 . . . . 0.0 110.281 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.0 p -128.38 146.46 50.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 110.426 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 35.5 m -152.94 161.06 43.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 110.019 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -100.09 109.89 22.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.963 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 6.7 pt -106.52 130.48 58.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.335 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.7 148.69 22.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.33 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.468 HG11 ' CD2' ' A' ' 67' ' ' LEU . 2.2 t -114.56 119.3 61.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 109.301 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.411 ' CD1' ' N ' ' A' ' 88' ' ' TYR . 13.7 p90 -148.51 157.63 41.41 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.537 1.148 . . . . 0.0 110.982 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 179.74 5.78 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.535 1.808 . . . . 0.0 111.004 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.456 ' O ' ' NE ' ' A' ' 91' ' ' ARG . 0.2 OUTLIER -82.97 148.2 27.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 0.0 110.302 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.456 ' NE ' ' O ' ' A' ' 90' ' ' GLU . 0.0 OUTLIER 38.51 -158.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.255 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.8 t -153.05 121.66 6.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.019 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 50.55 85.28 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 110.017 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -84.72 -139.35 4.46 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.511 1.132 . . . . 0.0 111.018 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 115.12 4.19 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.435 1.756 . . . . 0.0 111.0 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 58.9 m -66.12 161.09 22.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.007 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 63.18 165.51 0.12 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 110.004 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.944 0 O-C-N 124.48 1.113 . . . . 0.0 111.011 -179.984 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.2 t -144.86 87.54 1.85 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 0.781 . . . . 0.0 109.947 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.63 -58.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.022 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.52 71.1 0.01 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.484 1.115 . . . . 0.0 110.999 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -131.07 143.22 50.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 0.788 . . . . 0.0 109.994 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 t -46.48 132.69 10.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.022 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.36 -146.75 4.42 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.459 1.1 . . . . 0.0 110.992 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 54.82 -145.91 28.24 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 164.22 33.81 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.535 1.808 . . . . 0.0 111.0 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 155.24 43.15 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.522 1.801 . . . . 0.0 110.983 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.0 t -48.15 164.0 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.355 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.88 116.76 0.17 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.293 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.89 170.86 14.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.132 . . . . 0.0 110.294 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 37.5 m -69.78 -90.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.979 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -168.25 -47.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.262 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.497 ' CE2' ' HB2' ' A' ' 60' ' ' LYS . 30.1 m-85 -49.33 110.02 0.33 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 111.003 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -132.61 177.96 7.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.468 ' CG2' HG21 ' A' ' 55' ' ' VAL . 30.1 m -133.32 118.51 31.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.465 ' O ' ' CD1' ' A' ' 88' ' ' TYR . 30.0 mt -82.67 126.43 32.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.441 ' CG1' HD11 ' A' ' 85' ' ' ILE . 84.3 t -117.23 139.83 42.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 86.9 p -146.78 127.41 14.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.991 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 130.0 -0.95 5.8 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.525 1.14 . . . . 0.0 111.055 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.459 HD11 ' CD1' ' A' ' 32' ' ' LEU . 3.8 mm? -40.67 155.24 0.2 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.524 0.779 . . . . 0.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.506 ' HG2' ' CA ' ' A' ' 27' ' ' GLY . 18.3 Cg_endo -74.96 174.36 12.9 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.466 1.772 . . . . 0.0 111.029 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -18.08 19.07 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.518 1.799 . . . . 0.0 111.023 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 41.6 m -120.61 9.18 10.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 110.019 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.506 ' CA ' ' HG2' ' A' ' 24' ' ' PRO . . . -53.93 161.53 3.79 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.543 1.152 . . . . 0.0 110.999 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.5 m -143.03 147.17 34.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 0.759 . . . . 0.0 109.953 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.596 ' CE3' ' N ' ' A' ' 30' ' ' GLN . 53.8 p-90 -62.3 -49.08 77.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 108.023 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.596 ' N ' ' CE3' ' A' ' 29' ' ' TRP . 0.0 OUTLIER -42.56 -72.34 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.266 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.07 -47.31 68.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.574 ' HA ' ' CE1' ' A' ' 75' ' ' PHE . 3.5 tt -46.99 -53.59 12.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 35' ' ' HIS . 16.1 ttpt -55.34 -60.19 3.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 33' ' ' LYS . 84.8 m-20 -36.8 -33.16 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.457 ' N ' ' O ' ' A' ' 33' ' ' LYS . 4.4 t60 -80.8 -52.92 6.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.583 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.449 ' N ' ' O ' ' A' ' 33' ' ' LYS . 31.5 mmm -56.49 -40.3 74.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.49 ' O ' ' C ' ' A' ' 38' ' ' GLU . 10.4 mtm180 -40.41 -27.54 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.306 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.49 ' C ' ' O ' ' A' ' 37' ' ' ARG . 4.6 mm-40 -30.92 -40.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.293 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.571 ' HA ' ' CD1' ' A' ' 65' ' ' TYR . . . -65.72 -78.93 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -150.95 -132.73 1.97 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.527 1.142 . . . . 0.0 111.011 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -90.19 123.18 33.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 0.79 . . . . 0.0 109.264 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.432 ' CG2' ' HG2' ' A' ' 37' ' ' ARG . 3.5 t -88.4 124.15 41.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 37.0 t -91.56 -29.02 17.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 108.245 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.579 ' CD1' ' HE1' ' A' ' 54' ' ' MET . 19.4 t80 -138.08 137.34 37.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 111.013 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -152.43 121.08 6.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.333 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -153.5 171.2 19.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.444 HG21 ' N ' ' A' ' 48' ' ' GLN . 1.5 p -139.95 141.26 34.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.444 ' N ' HG21 ' A' ' 47' ' ' VAL . 8.0 mt-30 -107.07 157.5 17.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.115 . . . . 0.0 110.305 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.4 ' O ' ' CB ' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -52.63 173.09 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.4 ' CB ' ' O ' ' A' ' 49' ' ' LYS . 0.9 OUTLIER 74.97 -57.04 0.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 109.307 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 148.31 44.01 0.03 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.53 1.144 . . . . 0.0 110.979 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -106.09 153.27 22.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 0.778 . . . . 0.0 110.995 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -143.44 156.46 26.57 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.526 1.141 . . . . 0.0 110.957 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.579 ' HE1' ' CD1' ' A' ' 44' ' ' TYR . 2.5 ttp -150.43 121.75 7.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 0.749 . . . . 0.0 110.984 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.468 HG21 ' CG2' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -132.28 137.23 54.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.458 ' HG3' ' CE ' ' A' ' 54' ' ' MET . 3.0 mt-10 -115.41 129.75 56.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.305 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.459 ' CE1' ' HB3' ' A' ' 39' ' ' ALA . 45.0 m-85 -98.78 160.24 14.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 18.3 mt -90.02 -19.62 24.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 21.4 mmt180 -118.68 137.54 53.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.152 . . . . 0.0 110.327 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.497 ' HB2' ' CE2' ' A' ' 16' ' ' PHE . 17.0 tttt -56.97 -53.1 61.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -45.98 -54.66 7.97 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.505 1.128 . . . . 0.0 110.287 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.404 ' O ' ' HB1' ' A' ' 39' ' ' ALA . 68.9 m-20 -41.34 -49.05 3.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.441 ' HA ' ' CD2' ' A' ' 57' ' ' TYR . 12.3 ttp -52.9 -68.63 0.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 111.002 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -53.93 -44.25 70.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 110.288 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.571 ' CD1' ' HA ' ' A' ' 39' ' ' ALA . 32.6 t80 -50.58 -67.84 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 111.015 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.409 ' O ' ' HB2' ' A' ' 70' ' ' LEU . . . -56.77 -37.63 71.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.454 ' HG ' ' CG1' ' A' ' 18' ' ' VAL . 19.7 mt -50.78 -59.99 3.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.453 ' O ' ' C ' ' A' ' 69' ' ' LYS . 9.6 mtt85 -71.91 -65.28 0.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.263 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 68' ' ' ARG . 8.1 mptt -35.78 -61.88 0.45 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.622 ' O ' ' C ' ' A' ' 71' ' ' ASP . 21.6 mt -65.56 -63.67 1.04 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.088 . . . . 0.0 109.273 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.622 ' C ' ' O ' ' A' ' 70' ' ' LEU . 33.1 t70 20.33 87.48 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 23.2 t0 65.02 104.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.15 . . . . 0.0 109.317 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.479 ' CG2' ' O ' ' A' ' 70' ' ' LEU . 7.2 p -139.93 169.49 17.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.103 . . . . 0.0 110.381 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 16.7 ttpt -94.1 98.26 10.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.108 . . . . 0.0 109.363 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.574 ' CE1' ' HA ' ' A' ' 32' ' ' LEU . 9.4 t80 -85.96 132.39 34.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 111.002 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.0 ttt180 -109.23 111.11 22.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 99.1 p -68.31 -175.1 0.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.984 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -81.06 -12.63 59.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.632 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -95.87 0.81 52.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 0.0 110.323 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 90.26 -32.17 5.07 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.52 1.137 . . . . 0.0 110.986 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -49.8 115.78 1.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.434 0.726 . . . . 0.0 110.309 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 20.5 p -99.52 152.68 19.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.378 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.2 m -154.84 163.0 40.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 110.02 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -96.27 110.39 22.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.441 HD11 ' CG1' ' A' ' 20' ' ' VAL . 6.7 pt -108.84 129.93 62.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.05 149.92 21.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.286 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.447 HG13 ' CD2' ' A' ' 67' ' ' LEU . 2.2 t -116.73 119.21 61.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.465 ' CD1' ' O ' ' A' ' 19' ' ' LEU . 24.3 p90 -146.62 158.33 46.57 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -173.69 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.515 1.797 . . . . 0.0 110.99 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.68 55.39 0.79 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 110.315 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 47.5 92.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.348 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 35.0 p -143.79 150.76 39.03 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.995 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 51.6 m -164.0 158.81 20.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.014 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 98.48 155.1 29.27 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.494 1.121 . . . . 0.0 110.981 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 141.87 27.21 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.508 1.793 . . . . 0.0 110.985 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 58.9 p -110.8 133.77 53.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 110.054 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -172.32 98.07 0.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.03 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.472 1.107 . . . . 0.0 111.009 -179.998 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.7 m -69.43 163.41 25.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 0.748 . . . . 0.0 109.992 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.0 p -132.87 110.1 10.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.01 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.07 66.9 0.13 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.498 1.124 . . . . 0.0 111.026 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 t -130.85 -59.13 1.01 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 0.744 . . . . 0.0 110.031 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.05 125.79 21.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.142 . . . . 0.0 109.974 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.63 -90.98 0.1 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.437 1.086 . . . . 0.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 63.19 142.7 0.01 OUTLIER Glycine 0 CA--C 1.53 0.977 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 166.64 28.79 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.445 1.76 . . . . 0.0 111.039 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 127.19 10.5 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.567 1.825 . . . . 0.0 111.034 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.4 m -104.92 144.17 32.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.409 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.419 ' HG2' ' NH2' ' A' ' 17' ' ' ARG . 10.8 mtm180 -123.48 86.24 2.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.262 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.9 mtp85 -61.44 -18.65 59.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 110.292 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.0 m -126.75 -96.97 0.42 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.969 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 42.1 t0 177.81 -49.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -82.37 110.07 17.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.57 1.169 . . . . 0.0 111.008 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.422 ' NH1' ' HG3' ' A' ' 90' ' ' GLU . 0.3 OUTLIER -136.22 177.02 8.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.284 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.462 ' CG2' HG23 ' A' ' 55' ' ' VAL . 31.5 m -134.96 123.9 41.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.418 HD22 ' CD ' ' A' ' 17' ' ' ARG . 13.0 mt -86.22 120.71 27.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.451 HG12 ' CD2' ' A' ' 23' ' ' LEU . 84.3 t -107.92 138.39 34.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 83.5 p -148.39 128.61 13.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.983 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 127.53 1.06 6.64 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.566 1.166 . . . . 0.0 110.989 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.451 ' CD2' HG12 ' A' ' 20' ' ' VAL . 3.9 mm? -41.03 154.3 0.22 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.471 0.748 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.499 ' HG2' ' CA ' ' A' ' 27' ' ' GLY . 18.4 Cg_endo -74.98 174.92 11.95 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.487 1.783 . . . . 0.0 111.046 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -19.11 18.27 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.468 1.773 . . . . 0.0 111.037 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.0 m -120.77 12.07 11.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.009 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.499 ' CA ' ' HG2' ' A' ' 24' ' ' PRO . . . -57.4 162.98 7.7 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.535 1.147 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.2 m -143.1 149.07 37.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 0.767 . . . . 0.0 109.981 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.569 ' CZ3' ' HG3' ' A' ' 30' ' ' GLN . 48.0 p-90 -65.41 -40.97 94.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 107.992 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.569 ' HG3' ' CZ3' ' A' ' 29' ' ' TRP . 2.3 tt0 -50.02 -68.75 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.288 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.419 ' HB3' ' CE1' ' A' ' 75' ' ' PHE . 0.8 OUTLIER -55.31 -44.1 75.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.565 ' HA ' ' CE1' ' A' ' 75' ' ' PHE . 1.3 tt -50.65 -49.47 56.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.472 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 9.6 tttt -57.77 -60.47 3.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 0.0 109.249 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -40.34 -29.37 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.432 ' N ' ' O ' ' A' ' 33' ' ' LYS . 6.7 t60 -82.75 -64.63 1.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.63 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.433 ' C ' ' N ' ' A' ' 38' ' ' GLU . 29.9 mmm -46.67 -39.37 11.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 111.035 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.485 ' O ' ' C ' ' A' ' 38' ' ' GLU . 4.8 mmm180 -43.76 -24.88 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 110.33 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.485 ' C ' ' O ' ' A' ' 37' ' ' ARG . 0.4 OUTLIER -31.77 -40.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.285 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.575 ' HA ' ' CD1' ' A' ' 65' ' ' TYR . . . -64.55 -78.42 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.108 . . . . 0.0 109.338 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -149.13 -124.75 1.36 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.551 1.157 . . . . 0.0 110.999 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -98.96 124.43 43.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 0.759 . . . . 0.0 109.289 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.47 ' CG1' HG11 ' A' ' 55' ' ' VAL . 21.4 t -92.43 121.43 43.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 0.0 109.261 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 42.9 t -88.67 -29.32 19.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 108.298 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.648 ' CD1' ' CE ' ' A' ' 54' ' ' MET . 12.1 t80 -133.65 134.38 43.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.986 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -152.23 126.77 9.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.462 ' HA ' ' CB ' ' A' ' 29' ' ' TRP . 0.4 OUTLIER -159.15 173.27 16.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.419 HG12 ' N ' ' A' ' 29' ' ' TRP . 2.3 p -141.6 139.32 31.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.41 ' N ' HG21 ' A' ' 47' ' ' VAL . 24.9 mt-30 -105.46 162.68 13.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.328 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.37 174.02 0.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.8 t70 74.05 -57.63 0.61 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.417 1.073 . . . . 0.0 109.306 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 148.6 44.7 0.03 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.462 1.101 . . . . 0.0 110.977 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 2.9 mtp -111.12 164.01 13.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 0.764 . . . . 0.0 111.0 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -158.41 166.74 34.35 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.553 1.158 . . . . 0.0 110.954 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.648 ' CE ' ' CD1' ' A' ' 44' ' ' TYR . 2.3 ttp -154.79 121.58 5.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 0.786 . . . . 0.0 110.974 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.47 HG11 ' CG1' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -129.09 135.07 62.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.272 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.433 ' CG ' ' HE3' ' A' ' 54' ' ' MET . 2.7 mt-10 -113.0 127.58 56.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.246 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.474 ' CD2' ' HA ' ' A' ' 63' ' ' MET . 37.3 m-85 -96.56 153.82 17.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 111.023 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 19.2 mt -84.97 -27.5 26.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -110.08 138.82 45.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 110.304 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 48.3 tttt -58.58 -55.86 29.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.06 -54.3 5.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.299 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.406 ' O ' ' HB3' ' A' ' 39' ' ' ALA . 56.5 m-20 -42.15 -48.7 4.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.474 ' HA ' ' CD2' ' A' ' 57' ' ' TYR . 16.8 ttp -52.6 -67.35 0.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -55.27 -44.29 75.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.269 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.575 ' CD1' ' HA ' ' A' ' 39' ' ' ALA . 29.4 t80 -50.54 -66.96 0.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.998 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.412 ' O ' ' HB2' ' A' ' 70' ' ' LEU . . . -57.27 -38.05 73.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.441 ' HG ' ' CG1' ' A' ' 18' ' ' VAL . 19.0 mt -50.85 -59.07 4.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.257 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.46 ' O ' ' C ' ' A' ' 69' ' ' LYS . 26.6 mmt180 -72.24 -65.95 0.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.31 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 68' ' ' ARG . 3.0 mptp? -35.5 -61.76 0.44 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.544 1.153 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.641 ' O ' ' C ' ' A' ' 71' ' ' ASP . 22.0 mt -65.45 -62.66 1.4 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.641 ' C ' ' O ' ' A' ' 70' ' ' LEU . 31.1 t70 17.09 81.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 12.6 t0 73.32 103.24 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.478 ' CG2' ' O ' ' A' ' 70' ' ' LEU . 18.1 p -140.17 167.79 21.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 110.355 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.9 ttpt -95.64 99.02 10.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.435 1.084 . . . . 0.0 109.276 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.565 ' CE1' ' HA ' ' A' ' 32' ' ' LEU . 11.9 t80 -87.27 119.94 28.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 111.013 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 50.2 ttt180 -96.57 109.71 22.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.31 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 96.4 p -65.74 -173.1 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.592 1.183 . . . . 0.0 110.008 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.528 ' CD2' ' HG2' ' A' ' 79' ' ' GLU . 0.2 OUTLIER -81.76 -10.71 59.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.588 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.528 ' HG2' ' CD2' ' A' ' 78' ' ' HIS . 3.9 mm-40 -96.76 3.04 52.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.112 . . . . 0.0 110.312 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 89.57 -33.26 4.43 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.509 1.131 . . . . 0.0 111.018 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -50.52 132.32 25.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 0.788 . . . . 0.0 110.33 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 65.8 p -118.63 153.55 34.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.132 . . . . 0.0 110.384 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.1 m -152.67 160.83 43.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.012 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -90.98 106.1 18.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.104 . . . . 0.0 111.014 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 3.3 pt -105.84 129.52 58.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.77 155.76 18.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.337 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.414 HG13 ' CD2' ' A' ' 67' ' ' LEU . 2.3 t -122.86 119.47 58.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.346 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 23.9 p90 -148.73 156.74 41.45 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 110.975 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 177.3 8.79 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.55 1.816 . . . . 0.0 111.027 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.422 ' HG3' ' NH1' ' A' ' 17' ' ' ARG . 0.4 OUTLIER -80.57 128.08 33.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.313 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 8.1 ttt180 -106.51 139.98 40.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.328 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 6.4 t 65.15 82.63 0.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 110.01 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 75.7 m -74.47 130.17 39.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.437 1.086 . . . . 0.0 109.976 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -59.21 151.8 34.47 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.483 1.114 . . . . 0.0 111.01 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 -178.71 4.33 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.482 1.78 . . . . 0.0 111.032 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -151.65 94.87 2.05 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.524 1.14 . . . . 0.0 109.988 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.86 131.29 53.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 110.014 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.493 1.121 . . . . 0.0 110.985 179.976 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.15 95.32 9.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 0.753 . . . . 0.0 110.014 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.03 126.13 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 110.021 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.67 109.27 0.83 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.472 1.108 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.4 t -92.4 171.09 9.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 0.759 . . . . 0.0 110.017 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -132.18 81.77 1.98 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.11 . . . . 0.0 109.999 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.34 145.71 15.88 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.519 1.137 . . . . 0.0 110.963 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 110.82 92.85 2.17 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 150.61 38.42 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.498 1.789 . . . . 0.0 111.007 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 105.12 2.02 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.51 1.795 . . . . 0.0 111.001 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.433 ' CG2' ' N ' ' A' ' 12' ' ' ARG . 2.9 m -59.69 168.35 1.72 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.427 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.433 ' N ' ' CG2' ' A' ' 11' ' ' THR . 0.0 OUTLIER -105.99 -151.02 0.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.286 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 24.1 mmm-85 71.0 2.85 4.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.284 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.1 p 174.44 163.82 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.99 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -137.11 18.99 2.98 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.444 1.09 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -125.74 107.72 10.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.995 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.5 HH22 ' N ' ' A' ' 90' ' ' GLU . 0.0 OUTLIER -135.15 179.25 6.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 110.311 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.471 ' CG2' HG21 ' A' ' 55' ' ' VAL . 14.6 m -134.08 148.87 30.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.544 1.153 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.7 mt -99.95 120.9 40.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.41 HG13 ' CD1' ' A' ' 85' ' ' ILE . 76.7 t -105.58 134.67 46.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 11.2 p -140.89 152.69 45.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.019 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 51' ' ' GLY . . . 82.61 45.82 6.67 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.455 1.097 . . . . 0.0 110.957 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.45 ' HG ' ' CG2' ' A' ' 85' ' ' ILE . 3.8 mt -91.39 158.47 40.84 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.538 0.787 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 171.76 17.69 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.446 1.761 . . . . 0.0 111.025 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -23.63 13.59 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.526 1.803 . . . . 0.0 111.031 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.1 m -102.39 -3.8 26.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.036 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -56.39 147.06 32.44 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.524 1.14 . . . . 0.0 110.997 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 m -131.81 -178.22 4.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 0.786 . . . . 0.0 110.037 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.518 ' CE3' ' N ' ' A' ' 30' ' ' GLN . 41.9 p-90 -88.06 -39.4 14.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 107.965 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.518 ' N ' ' CE3' ' A' ' 29' ' ' TRP . 0.3 OUTLIER -50.77 -70.63 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.282 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.2 -38.15 62.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.407 HD23 ' CG ' ' A' ' 36' ' ' MET . 4.8 tt -56.37 -55.27 35.55 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.514 1.133 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.487 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 11.2 ttpt -53.86 -59.46 4.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -41.91 -27.96 0.14 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.429 ' N ' ' C ' ' A' ' 33' ' ' LYS . 6.1 t60 -87.65 -55.46 3.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.566 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.456 ' CE ' ' CD1' ' A' ' 70' ' ' LEU . 28.8 mmm -55.73 -36.83 67.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.998 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.487 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 5.1 mmm180 -43.87 -24.7 0.15 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.324 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.476 ' C ' ' O ' ' A' ' 37' ' ' ARG . 4.5 mm-40 -31.93 -40.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 110.276 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.571 ' HA ' ' CD1' ' A' ' 65' ' ' TYR . . . -62.5 -76.36 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -150.51 -120.14 0.95 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.469 1.105 . . . . 0.0 111.0 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -108.61 122.45 47.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 0.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.471 ' CG1' HG11 ' A' ' 55' ' ' VAL . 6.0 t -85.84 133.2 30.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 37.7 t -93.37 -32.84 14.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 108.31 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.507 ' CZ ' ' HB2' ' A' ' 46' ' ' ASP . 70.6 t80 -144.14 151.22 39.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 111.007 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -152.21 122.55 7.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.334 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.507 ' HB2' ' CZ ' ' A' ' 44' ' ' TYR . 27.3 t0 -133.85 160.22 38.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.258 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 5.7 p -140.82 140.3 33.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -115.4 170.13 8.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.312 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.437 ' O ' ' CB ' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -69.25 179.07 2.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.437 ' CB ' ' O ' ' A' ' 49' ' ' LYS . 1.1 t70 78.04 -58.37 0.46 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.26 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 22' ' ' GLY . . . 146.74 44.58 0.04 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.497 1.123 . . . . 0.0 110.954 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -117.68 153.94 32.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 0.754 . . . . 0.0 110.996 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -144.96 168.92 26.84 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.473 1.108 . . . . 0.0 111.064 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.464 ' HE1' ' CB ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -154.86 130.39 9.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 0.765 . . . . 0.0 110.989 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.471 HG21 ' CG2' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -135.02 131.93 53.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.466 ' CG ' ' HB3' ' A' ' 17' ' ' ARG . 0.9 OUTLIER -105.69 114.72 29.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.307 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.466 ' CD2' ' HA ' ' A' ' 63' ' ' MET . 27.4 m-85 -85.47 169.86 13.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 111.004 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 33.1 mt -109.11 12.2 25.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 109.33 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 24.0 mmt180 -149.39 136.44 19.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.32 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 61.1 tttt -62.07 -57.19 12.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.362 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.85 -50.89 17.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.294 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.401 ' O ' ' HB2' ' A' ' 39' ' ' ALA . 76.0 m-20 -50.66 -45.65 58.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.466 ' HA ' ' CD2' ' A' ' 57' ' ' TYR . 9.6 ttp -52.02 -55.49 20.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 111.042 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.402 ' O ' ' HB2' ' A' ' 67' ' ' LEU . 21.7 mt-10 -65.52 -43.82 88.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 110.298 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.571 ' CD1' ' HA ' ' A' ' 39' ' ' ALA . 13.6 t80 -49.09 -59.19 3.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.99 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.418 ' O ' ' HB2' ' A' ' 70' ' ' LEU . . . -61.0 -39.12 88.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.406 ' HG ' ' CG1' ' A' ' 18' ' ' VAL . 19.2 mt -51.76 -55.62 18.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 109.349 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.457 ' O ' ' C ' ' A' ' 69' ' ' LYS . 0.3 OUTLIER -72.65 -67.48 0.55 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 110.266 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.457 ' C ' ' O ' ' A' ' 68' ' ' ARG . 14.5 mptt -35.99 -61.56 0.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.644 ' O ' ' C ' ' A' ' 71' ' ' ASP . 22.9 mt -64.54 -62.29 1.68 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.237 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.644 ' C ' ' O ' ' A' ' 70' ' ' LEU . 62.5 t0 17.14 71.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.475 ' CB ' ' O ' ' A' ' 71' ' ' ASP . 8.3 t0 81.24 108.59 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.093 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.421 ' CG2' ' HA ' ' A' ' 70' ' ' LEU . 29.1 p -141.82 173.73 11.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.426 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.2 ttmt -96.38 103.81 15.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.324 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.439 ' CD2' HD23 ' A' ' 23' ' ' LEU . 35.1 t80 -94.17 120.82 34.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 111.01 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 39.6 ttt-85 -98.58 115.16 28.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.296 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 32.5 p -68.6 169.77 10.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.992 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -69.54 -14.47 62.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 109.635 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -91.91 4.69 52.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 110.279 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 89.95 -27.38 8.26 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.489 1.118 . . . . 0.0 110.977 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -54.79 136.89 45.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 0.756 . . . . 0.0 110.29 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 24.5 p -116.24 148.74 40.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.413 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 17.0 m -150.45 164.87 34.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.044 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -103.32 111.2 23.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 111.042 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.45 ' CG2' ' HG ' ' A' ' 23' ' ' LEU . 3.7 pt -108.61 130.09 61.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 109.316 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.2 mmm-85 -90.95 145.01 25.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.277 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.1 t -111.13 115.05 48.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.549 1.155 . . . . 0.0 109.282 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 19.4 p90 -144.02 161.66 44.4 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.98 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -166.81 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.518 1.799 . . . . 0.0 111.009 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.5 ' N ' HH22 ' A' ' 17' ' ' ARG . 28.2 tt0 -95.66 153.74 17.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 110.274 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -90.58 106.03 18.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.261 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 65.55 146.98 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 110.009 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 77.6 p -149.28 169.01 21.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.152 . . . . 0.0 109.973 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 154.71 76.29 0.02 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.504 1.127 . . . . 0.0 110.977 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -42.07 0.58 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.481 1.78 . . . . 0.0 111.018 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.9 m -58.81 148.15 30.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.113 . . . . 0.0 109.965 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 13.7 t 58.75 102.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.128 . . . . 0.0 109.974 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 O-C-N 124.483 1.114 . . . . 0.0 111.022 179.987 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.039 -0.825 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.2 p -110.88 120.79 43.55 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.514 0.773 . . . . 0.0 109.958 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.7 p 46.42 85.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.999 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.8 -179.75 16.23 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.477 1.111 . . . . 0.0 111.011 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.64 113.27 2.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 0.752 . . . . 0.0 109.985 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.2 p -53.84 141.52 26.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 110.036 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.65 -163.08 2.08 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.507 1.13 . . . . 0.0 111.03 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.25 -160.03 37.86 Favored Glycine 0 CA--C 1.531 1.034 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 153.69 41.84 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.534 1.807 . . . . 0.0 111.002 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.551 ' O ' ' CG2' ' A' ' 11' ' ' THR . 18.5 Cg_endo -74.95 66.01 5.99 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.485 1.782 . . . . 0.0 111.019 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.551 ' CG2' ' O ' ' A' ' 10' ' ' PRO . 10.5 t 54.34 164.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.15 . . . . 0.0 110.414 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.9 mmt180 -157.03 108.99 2.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.296 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.23 178.34 5.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.419 ' N ' ' OE1' ' A' ' 56' ' ' GLU . 2.5 m -103.62 -89.36 0.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.049 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -170.14 -58.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.262 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.559 ' CZ ' ' HB2' ' A' ' 60' ' ' LYS . 47.1 m-85 -41.41 109.46 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 111.025 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.5 ptp85 -136.69 163.33 30.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.314 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.482 ' CG2' HG22 ' A' ' 55' ' ' VAL . 27.5 m -120.72 125.76 74.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.335 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.533 ' O ' ' CE1' ' A' ' 88' ' ' TYR . 8.3 mt -81.98 118.88 23.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.553 1.158 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.422 ' O ' ' N ' ' A' ' 53' ' ' GLY . 19.8 t -107.12 134.83 47.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.346 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 89.2 p -141.42 145.27 35.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.028 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 51' ' ' GLY . . . 97.31 29.84 7.69 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.521 1.138 . . . . 0.0 111.022 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.401 HD21 ' CD2' ' A' ' 75' ' ' PHE . 9.3 mt -77.65 157.65 79.45 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.515 0.773 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 173.18 14.96 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.526 1.803 . . . . 0.0 110.968 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -19.39 17.86 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.471 1.774 . . . . 0.0 110.977 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 12.8 t -107.32 -12.29 15.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.995 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -47.63 123.61 8.93 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.492 1.12 . . . . 0.0 111.033 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.9 m -111.21 161.39 16.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 0.734 . . . . 0.0 109.983 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.597 ' CE3' ' N ' ' A' ' 30' ' ' GLN . 42.4 p-90 -66.69 -43.86 83.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 108.02 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.597 ' N ' ' CE3' ' A' ' 29' ' ' TRP . 0.0 OUTLIER -44.34 -74.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 110.271 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -49.83 -45.86 50.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.457 ' HA ' ' CE1' ' A' ' 75' ' ' PHE . 5.9 tt -49.43 -56.32 10.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.487 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 13.0 ttpt -51.44 -61.05 2.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.581 1.176 . . . . 0.0 109.35 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -41.12 -29.02 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.271 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.422 ' N ' ' C ' ' A' ' 33' ' ' LYS . 5.9 t60 -85.83 -58.45 2.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.577 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.437 ' C ' ' N ' ' A' ' 38' ' ' GLU . 27.8 mmm -52.75 -39.7 62.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 111.004 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.487 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 0.3 OUTLIER -41.1 -26.78 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.33 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.478 ' C ' ' O ' ' A' ' 37' ' ' ARG . 3.7 mm-40 -31.69 -40.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.324 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.599 ' HA ' ' CD1' ' A' ' 65' ' ' TYR . . . -60.91 -75.97 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -153.44 -108.18 0.33 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.457 1.098 . . . . 0.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -114.68 130.44 56.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 0.794 . . . . 0.0 109.32 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.455 ' CG1' HG13 ' A' ' 55' ' ' VAL . 4.0 t -97.95 121.75 48.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 109.356 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 17.7 p -88.08 -32.39 18.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 108.323 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -138.45 144.39 40.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 111.028 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -150.79 112.95 4.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -132.7 163.75 28.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 25.7 t -141.98 145.55 23.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.31 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -114.9 170.2 8.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.333 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.63 -178.77 0.58 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.3 t0 72.82 -58.81 0.59 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.354 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' A' ' 22' ' ' GLY . . . 148.06 43.51 0.03 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.468 1.105 . . . . 0.0 111.034 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 6.3 mtt -108.89 159.0 17.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 0.778 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -148.63 161.07 28.58 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.487 1.117 . . . . 0.0 110.986 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -152.38 120.03 6.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 0.73 . . . . 0.0 110.978 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.482 HG22 ' CG2' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -129.43 140.71 48.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.117 . . . . 0.0 109.29 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.419 ' OE1' ' N ' ' A' ' 14' ' ' SER . 0.1 OUTLIER -111.45 140.4 46.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 110.282 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.5 ' CZ ' ' HB3' ' A' ' 39' ' ' ALA . 37.4 m-85 -113.18 149.91 32.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 110.994 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -86.6 3.82 42.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.348 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.0 mtp180 -139.16 127.94 23.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.325 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.559 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 76.8 tttt -58.04 -52.38 65.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -53.46 -46.92 70.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.148 . . . . 0.0 110.27 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.424 ' O ' ' HB2' ' A' ' 39' ' ' ALA . 23.0 m-20 -53.67 -34.79 59.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.499 ' HA ' ' CD2' ' A' ' 57' ' ' TYR . 0.0 OUTLIER -61.06 -55.62 30.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 110.978 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.415 ' O ' ' HB2' ' A' ' 67' ' ' LEU . 20.0 mt-10 -63.12 -39.11 93.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.354 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.599 ' CD1' ' HA ' ' A' ' 39' ' ' ALA . 24.7 t80 -50.81 -65.15 0.61 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.138 . . . . 0.0 110.971 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.437 ' O ' ' HB2' ' A' ' 70' ' ' LEU . . . -57.03 -38.27 72.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.344 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.472 ' HG ' ' CG1' ' A' ' 18' ' ' VAL . 24.3 mt -51.49 -58.59 5.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.446 ' O ' ' C ' ' A' ' 69' ' ' LYS . 14.8 mmt85 -71.08 -66.23 0.64 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.288 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.456 ' HD3' ' CD2' ' A' ' 65' ' ' TYR . 0.1 OUTLIER -36.58 -63.27 0.41 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.333 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.634 ' O ' ' C ' ' A' ' 71' ' ' ASP . 25.1 mt -62.77 -63.52 1.19 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.27 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.634 ' C ' ' O ' ' A' ' 70' ' ' LEU . 39.1 t0 18.21 92.0 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.421 ' HB3' ' O ' ' A' ' 71' ' ' ASP . 20.8 t70 62.58 100.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.473 ' CG2' ' O ' ' A' ' 70' ' ' LEU . 5.0 p -133.37 174.14 10.72 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.535 1.147 . . . . 0.0 110.367 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.6 ttmt -102.32 99.18 9.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.457 ' CE1' ' HA ' ' A' ' 32' ' ' LEU . 40.4 t80 -91.29 129.43 37.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.135 . . . . 0.0 111.0 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.2 ttp180 -112.09 121.54 45.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.301 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 52.2 p -78.01 179.32 6.86 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 110.04 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.407 ' CD2' ' C ' ' A' ' 78' ' ' HIS . 1.7 p-80 -74.86 -3.26 30.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.449 1.093 . . . . 0.0 109.563 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -99.45 16.65 22.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.316 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 64.74 9.31 38.35 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.454 1.096 . . . . 0.0 111.012 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.428 ' HG3' ' N ' ' A' ' 82' ' ' THR . 2.7 tt0 -86.17 137.12 32.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 0.776 . . . . 0.0 110.281 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.428 ' N ' ' HG3' ' A' ' 81' ' ' GLU . 11.7 p -118.61 147.63 43.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.356 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.3 p -158.89 148.6 19.13 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 109.976 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -83.22 118.53 23.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.442 1.089 . . . . 0.0 110.967 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 7.5 pt -116.58 131.08 70.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.256 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.19 152.82 20.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.26 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.1 t -121.72 114.77 44.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.533 ' CE1' ' O ' ' A' ' 19' ' ' LEU . 9.1 p90 -142.24 157.62 62.89 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 111.048 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 179.66 5.87 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.514 1.797 . . . . 0.0 110.983 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -92.51 170.28 9.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.295 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 6.7 mtt85 -110.78 124.74 52.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 110.311 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -161.05 165.84 29.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 110.004 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 12.1 p -138.82 -62.41 0.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.437 1.086 . . . . 0.0 110.023 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 119.94 98.29 1.72 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.518 1.137 . . . . 0.0 111.006 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 137.36 21.63 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.462 1.77 . . . . 0.0 110.974 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 80.4 p -118.39 152.02 36.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.975 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 9.3 t -145.73 134.9 22.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.033 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.494 1.121 . . . . 0.0 111.026 -179.954 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.1 p -64.2 168.7 5.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 0.774 . . . . 0.0 109.993 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.3 m -156.42 95.42 1.57 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.015 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.07 -135.98 7.57 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.481 1.113 . . . . 0.0 111.011 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.58 -51.03 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 0.775 . . . . 0.0 110.0 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -159.12 102.93 1.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.028 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.23 91.33 0.29 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.507 1.129 . . . . 0.0 110.995 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 71.11 145.13 0.34 Allowed Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 156.94 43.02 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.529 1.805 . . . . 0.0 110.987 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 78.57 2.87 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.468 1.772 . . . . 0.0 110.969 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 30.0 p -109.28 115.93 30.91 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.512 1.133 . . . . 0.0 110.408 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -121.92 60.28 0.98 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 110.314 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.5 mtp180 -105.43 -12.26 16.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.503 ' HB3' ' CD2' ' A' ' 16' ' ' PHE . 4.0 m 179.93 178.93 0.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 110.015 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -144.77 58.71 1.31 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.566 ' CE1' ' HB2' ' A' ' 60' ' ' LYS . 7.8 m-85 -127.95 71.77 1.38 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 111.013 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.583 ' CG ' ' HG2' ' A' ' 56' ' ' GLU . 21.6 mtt85 -98.96 166.62 11.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.313 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.47 ' CG2' HG22 ' A' ' 55' ' ' VAL . 9.4 m -136.69 117.57 18.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.472 ' HB2' ' CD2' ' A' ' 88' ' ' TYR . 10.7 mt -82.34 132.79 35.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.26 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.447 ' CG1' HD13 ' A' ' 85' ' ' ILE . 43.6 t -126.3 133.8 67.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.9 m -136.09 154.69 50.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 110.03 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 51' ' ' GLY . . . 92.69 34.89 6.69 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.525 1.141 . . . . 0.0 110.976 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.2 mt -87.14 157.77 53.43 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.521 0.777 . . . . 0.0 109.289 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 170.45 20.4 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.493 1.786 . . . . 0.0 111.005 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -19.01 18.28 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.477 1.777 . . . . 0.0 110.998 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.2 m -104.59 -3.3 24.0 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 109.999 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -55.54 148.01 27.15 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.462 1.101 . . . . 0.0 111.026 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.6 m -128.01 178.55 6.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 0.772 . . . . 0.0 109.982 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.518 ' CZ3' ' HG3' ' A' ' 30' ' ' GLN . 63.4 p-90 -87.62 -45.89 10.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.13 . . . . 0.0 107.997 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.518 ' HG3' ' CZ3' ' A' ' 29' ' ' TRP . 27.8 mt-30 -47.53 -65.63 0.53 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 110.3 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -55.13 -39.86 69.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.514 ' C ' ' CD2' ' A' ' 32' ' ' LEU . 0.8 OUTLIER -57.68 -48.53 79.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.492 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 10.2 ttpt -57.43 -57.02 14.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.405 ' HA ' ' HG3' ' A' ' 37' ' ' ARG . 80.7 m-20 -44.89 -25.42 0.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.426 ' N ' ' C ' ' A' ' 33' ' ' LYS . 5.7 t60 -88.05 -51.03 6.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.611 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.443 ' C ' ' N ' ' A' ' 38' ' ' GLU . 26.7 mmm -60.54 -41.08 93.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 111.022 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.492 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 6.3 mtm180 -41.12 -26.99 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.287 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.482 ' C ' ' O ' ' A' ' 37' ' ' ARG . 0.4 OUTLIER -31.39 -40.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 110.311 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.595 ' HA ' ' CD1' ' A' ' 65' ' ' TYR . . . -64.43 -81.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -143.35 -120.34 1.49 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.454 1.096 . . . . 0.0 111.023 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -103.75 139.96 38.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 0.768 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.459 ' CG1' HG13 ' A' ' 55' ' ' VAL . 3.5 t -111.2 127.07 68.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 0.0 109.303 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 41.1 t -99.51 -27.54 13.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.436 1.085 . . . . 0.0 108.293 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.57 ' CD2' ' HE1' ' A' ' 54' ' ' MET . 50.6 t80 -130.75 142.96 50.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -152.63 115.21 4.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.327 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -133.82 162.58 31.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 109.328 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.1 p -141.16 138.46 33.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.259 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -109.05 160.04 16.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 110.321 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.26 -178.97 0.4 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.8 t0 73.86 -58.71 0.58 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.437 ' O ' ' N ' ' A' ' 22' ' ' GLY . . . 152.44 43.92 0.02 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.499 1.124 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -110.31 159.33 17.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 0.78 . . . . 0.0 111.007 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -151.89 158.99 28.08 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.475 1.109 . . . . 0.0 111.024 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.57 ' HE1' ' CD2' ' A' ' 44' ' ' TYR . 2.1 ttp -149.95 148.41 29.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 0.749 . . . . 0.0 111.02 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.47 HG22 ' CG2' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -153.87 156.56 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.256 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.583 ' HG2' ' CG ' ' A' ' 17' ' ' ARG . 47.2 mt-10 -122.82 142.35 50.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.324 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.556 ' CD2' ' HA ' ' A' ' 63' ' ' MET . 15.8 m-85 -118.04 145.03 45.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 111.011 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -88.3 10.34 20.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 7.0 mmt180 -147.73 131.89 17.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.342 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.566 ' HB2' ' CE1' ' A' ' 16' ' ' PHE . 31.8 tttt -60.89 -58.32 8.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -48.6 -56.04 9.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.324 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.403 ' O ' ' CB ' ' A' ' 39' ' ' ALA . 75.2 m-20 -47.07 -29.48 2.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.556 ' HA ' ' CD2' ' A' ' 57' ' ' TYR . 0.0 OUTLIER -67.52 -68.55 0.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.983 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -46.68 -40.46 13.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.281 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.595 ' CD1' ' HA ' ' A' ' 39' ' ' ALA . 26.3 t80 -49.91 -64.57 0.77 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 111.032 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.49 ' CB ' ' HB3' ' A' ' 39' ' ' ALA . . . -57.48 -40.04 77.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 28.1 mt -50.12 -57.79 6.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.289 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.474 ' O ' ' C ' ' A' ' 69' ' ' LYS . 6.9 mmp_? -72.49 -67.9 0.52 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 110.304 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.474 ' C ' ' O ' ' A' ' 68' ' ' ARG . 10.1 mptt -34.48 -61.78 0.37 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.691 ' O ' ' C ' ' A' ' 71' ' ' ASP . 21.8 mt -63.79 -59.59 4.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.691 ' C ' ' O ' ' A' ' 70' ' ' LEU . 46.4 t0 9.45 77.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.5 ' CB ' ' O ' ' A' ' 71' ' ' ASP . 5.9 t0 81.76 102.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.48 ' CG2' ' HA ' ' A' ' 70' ' ' LEU . 21.1 p -135.97 172.56 12.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.43 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 16.7 tttt -100.68 100.04 10.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -88.81 139.96 29.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.988 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -110.92 111.79 23.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 110.297 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.7 p -63.83 162.03 14.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.133 . . . . 0.0 110.003 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.412 ' CD2' ' HG2' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -65.93 -13.17 59.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.579 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.412 ' HG2' ' CD2' ' A' ' 78' ' ' HIS . 4.8 mm-40 -93.21 -6.16 48.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 110.313 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 102.12 -30.51 10.23 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.488 1.118 . . . . 0.0 110.995 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -51.35 133.97 28.62 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.47 0.747 . . . . 0.0 110.276 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.1 p -110.6 149.95 29.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 110.391 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 49.7 m -158.89 154.48 26.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 110.024 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -89.36 119.86 30.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.447 HD13 ' CG1' ' A' ' 20' ' ' VAL . 7.2 pt -114.48 131.69 65.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.262 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.22 151.99 20.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 110.253 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.3 t -118.95 121.09 65.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.356 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.472 ' CD2' ' HB2' ' A' ' 19' ' ' LEU . 10.8 p90 -146.31 158.23 47.87 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 111.035 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 177.88 8.0 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.457 1.767 . . . . 0.0 111.003 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -95.55 117.36 30.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 110.28 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -85.91 133.45 33.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.332 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 11.8 m -103.19 158.7 16.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.043 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.8 t -150.26 146.14 26.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.017 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 72.56 79.97 0.43 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.507 1.129 . . . . 0.0 111.021 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 78.28 2.94 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.51 1.795 . . . . 0.0 110.97 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 43.3 p -118.48 160.78 21.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.053 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.3 m -134.56 79.8 1.82 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.037 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.53 1.144 . . . . 0.0 111.006 -179.95 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.066 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.5 m 59.08 96.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 0.79 . . . . 0.0 110.023 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.3 t -87.01 99.69 12.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 110.035 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.85 157.88 22.38 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.464 1.102 . . . . 0.0 110.995 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 t -173.79 109.3 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 0.768 . . . . 0.0 109.99 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.6 t -54.68 133.75 46.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.446 1.091 . . . . 0.0 109.988 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 109.58 -92.95 0.73 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.485 1.116 . . . . 0.0 111.022 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -163.18 -95.7 0.11 Allowed Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 152.98 41.48 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.461 1.769 . . . . 0.0 110.986 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 159.06 41.73 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.518 1.799 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 13.4 t -45.47 146.12 1.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 110.399 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.1 mmt85 -145.42 86.58 1.76 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.318 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.6 mtp85 -82.12 -26.61 33.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 110.254 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.454 ' HB3' ' CD2' ' A' ' 16' ' ' PHE . 25.5 m -137.92 -170.71 2.84 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 0.0 110.02 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.554 ' O ' ' CD1' ' A' ' 16' ' ' PHE . 13.9 m-20 -140.55 68.27 1.35 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.554 ' CD1' ' O ' ' A' ' 15' ' ' ASP . 11.1 m-85 -155.0 105.24 2.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 110.967 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 30.2 ptt-85 -137.08 164.0 29.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 0.0 110.306 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.462 ' CG2' HG23 ' A' ' 55' ' ' VAL . 27.2 m -122.74 135.5 62.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.602 ' O ' ' CE1' ' A' ' 88' ' ' TYR . 0.9 OUTLIER -94.41 114.35 26.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.316 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 93.2 t -94.81 133.99 33.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 9.6 p -138.78 141.9 38.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 110.019 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 51' ' ' GLY . . . 96.83 34.84 5.57 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.47 1.106 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.439 HD23 ' CD2' ' A' ' 75' ' ' PHE . 5.5 mt -82.07 156.74 69.33 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.479 0.752 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 171.61 17.96 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.436 1.756 . . . . 0.0 110.996 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -17.83 19.16 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.462 1.77 . . . . 0.0 111.012 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.6 t -106.86 -20.74 13.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.157 . . . . 0.0 110.011 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -38.08 142.42 0.32 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.459 1.099 . . . . 0.0 110.974 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -126.69 171.15 11.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 0.736 . . . . 0.0 109.992 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.631 ' CE3' ' N ' ' A' ' 30' ' ' GLN . 48.8 p-90 -76.91 -48.52 18.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 108.008 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.631 ' N ' ' CE3' ' A' ' 29' ' ' TRP . 5.2 tm0? -45.03 -61.29 1.69 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.306 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -57.14 -44.84 83.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.268 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.458 HD21 ' CG ' ' A' ' 36' ' ' MET . 2.1 tt -54.6 -52.61 61.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.264 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.429 ' C ' ' N ' ' A' ' 35' ' ' HIS . 9.9 tttt -52.29 -63.63 1.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 109.261 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.401 ' HA ' ' HG3' ' A' ' 37' ' ' ARG . 90.7 m-20 -41.06 -28.92 0.1 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.464 1.103 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.429 ' N ' ' C ' ' A' ' 33' ' ' LYS . 6.4 t60 -85.88 -54.33 4.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.626 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.458 ' CG ' HD21 ' A' ' 32' ' ' LEU . 27.6 mmm -56.56 -40.83 75.82 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.561 1.163 . . . . 0.0 110.96 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.461 ' O ' ' C ' ' A' ' 38' ' ' GLU . 5.8 mmm-85 -40.15 -27.85 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.287 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 37' ' ' ARG . 3.7 mm-40 -33.1 -39.53 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.289 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.609 ' HA ' ' CD1' ' A' ' 65' ' ' TYR . . . -61.96 -74.19 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -158.99 -114.98 0.4 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -101.93 131.06 48.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 0.793 . . . . 0.0 109.328 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.411 ' CG1' HG11 ' A' ' 55' ' ' VAL . 3.3 t -108.09 123.12 63.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.155 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 18.7 t -102.49 -29.14 11.78 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.501 1.126 . . . . 0.0 108.329 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.504 ' CD1' ' HE2' ' A' ' 54' ' ' MET . 14.3 t80 -119.02 134.57 55.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 110.96 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -152.46 112.44 4.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.325 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -142.47 150.17 40.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 75.3 t -141.05 140.82 32.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -118.57 170.1 9.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.151 . . . . 0.0 110.32 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.3 -171.55 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 72.76 -59.37 0.57 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 22' ' ' GLY . . . 140.99 44.26 0.06 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.532 1.145 . . . . 0.0 110.97 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -122.35 140.36 52.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 0.79 . . . . 0.0 111.003 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -132.52 165.63 23.68 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.509 1.13 . . . . 0.0 111.028 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.504 ' HE2' ' CD1' ' A' ' 44' ' ' TYR . 2.0 ttp -151.24 130.68 12.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 0.774 . . . . 0.0 110.956 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.462 HG23 ' CG2' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -138.14 146.49 26.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.339 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.42 ' HB2' ' CB ' ' A' ' 44' ' ' TYR . 5.5 mt-10 -119.24 146.61 45.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 110.305 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.613 ' CD1' ' CG ' ' A' ' 62' ' ' ASP . 55.5 m-85 -122.0 156.3 33.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.972 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -94.08 16.7 13.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.275 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 13.9 mmt180 -147.34 137.38 23.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 110.279 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -65.06 -57.92 7.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -48.29 -47.07 36.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 110.274 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.613 ' CG ' ' CD1' ' A' ' 57' ' ' TYR . 1.3 t0 -49.63 -44.23 47.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.32 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.94 -58.77 6.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.157 . . . . 0.0 111.016 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -58.89 -42.4 89.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 110.263 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.609 ' CD1' ' HA ' ' A' ' 39' ' ' ALA . 30.4 t80 -50.45 -67.04 0.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.163 . . . . 0.0 111.014 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.457 ' CB ' ' HB1' ' A' ' 39' ' ' ALA . . . -55.6 -40.36 71.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.577 1.173 . . . . 0.0 109.349 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.406 ' O ' ' HB2' ' A' ' 71' ' ' ASP . 23.4 mt -49.52 -59.38 3.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.469 ' O ' ' C ' ' A' ' 69' ' ' LYS . 3.7 mmp_? -71.35 -67.64 0.5 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.282 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.469 ' C ' ' O ' ' A' ' 68' ' ' ARG . 0.3 OUTLIER -34.81 -63.62 0.3 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.65 ' O ' ' C ' ' A' ' 71' ' ' ASP . 27.0 mt -63.01 -62.49 1.68 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.65 ' C ' ' O ' ' A' ' 70' ' ' LEU . 64.5 t0 16.21 88.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 12.5 t0 67.26 100.98 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 109.278 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.476 ' CG2' ' O ' ' A' ' 70' ' ' LEU . 11.7 p -135.22 168.06 19.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 110.368 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.6 ttpt -96.94 98.75 10.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.282 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.439 ' CD2' HD23 ' A' ' 23' ' ' LEU . 32.3 t80 -89.08 132.35 34.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -102.46 115.54 30.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 110.278 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 24.2 p -67.35 168.32 10.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 110.013 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.597 ' O ' ' CD2' ' A' ' 78' ' ' HIS . 1.3 t60 -68.07 -12.09 60.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.574 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -97.32 5.75 49.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.15 . . . . 0.0 110.312 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 90.08 -37.13 3.4 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.543 1.152 . . . . 0.0 110.996 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -48.85 122.59 5.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 0.736 . . . . 0.0 110.292 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 20.0 p -99.14 155.88 17.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 110.442 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 7.8 m -155.55 159.63 39.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 110.012 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -92.17 113.31 25.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.993 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 12.4 pt -108.02 132.83 54.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 109.267 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 -97.95 154.14 17.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.279 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.0 t -125.02 123.33 65.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.602 ' CE1' ' O ' ' A' ' 19' ' ' LEU . 35.6 p90 -153.22 156.51 32.61 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 0.0 111.017 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 174.53 12.63 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.499 1.789 . . . . 0.0 110.955 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.48 ' CB ' HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -95.23 154.63 17.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.3 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 26.2 ptt180 -118.35 135.27 54.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.302 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -172.59 179.23 2.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.036 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.57 167.23 19.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.996 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 163.61 110.23 0.24 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.471 1.107 . . . . 0.0 111.02 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -48.39 0.17 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.499 1.789 . . . . 0.0 110.991 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.9 m 57.35 103.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.959 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.6 t -132.71 154.91 49.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.987 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.431 1.082 . . . . 0.0 111.021 179.99 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -157.14 109.74 2.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 0.769 . . . . 0.0 109.981 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.9 t -103.25 -58.55 1.86 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.983 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.48 84.43 0.11 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.549 1.155 . . . . 0.0 110.989 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.26 -58.33 3.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 0.76 . . . . 0.0 110.015 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.27 145.67 8.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.033 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.86 161.5 12.74 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.475 1.109 . . . . 0.0 111.012 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 145.5 -80.54 0.22 Allowed Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 168.28 25.16 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.474 1.776 . . . . 0.0 110.984 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 133.02 16.13 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.537 1.809 . . . . 0.0 111.029 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.5 t -49.87 134.86 20.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.432 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.17 88.22 2.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.33 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.85 -175.69 4.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.314 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -56.51 152.67 11.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.971 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -107.75 40.95 1.61 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.505 ' CE2' ' HB2' ' A' ' 60' ' ' LYS . 22.1 m-85 -124.47 111.45 15.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 111.024 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.422 ' NH2' ' OE1' ' A' ' 90' ' ' GLU . 10.7 ptt180 -136.51 166.84 22.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.25 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.472 ' CG1' ' HG ' ' A' ' 67' ' ' LEU . 27.3 m -120.42 129.27 75.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.54 ' O ' ' CD1' ' A' ' 88' ' ' TYR . 15.9 mt -87.9 122.93 32.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.449 ' CG1' HD13 ' A' ' 85' ' ' ILE . 72.5 t -114.0 134.83 55.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.363 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 56.0 p -143.65 126.04 15.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.003 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 135.51 -6.17 4.2 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.496 1.123 . . . . 0.0 111.041 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.477 HD11 ' CG2' ' A' ' 85' ' ' ILE . 3.3 mm? -40.19 151.65 0.24 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.455 0.738 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.404 ' HD2' ' HA3' ' A' ' 27' ' ' GLY . 18.2 Cg_endo -75.0 174.1 13.37 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.52 1.8 . . . . 0.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -15.71 20.52 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.561 1.821 . . . . 0.0 110.993 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.4 m -120.63 8.42 10.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.021 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.404 ' HA3' ' HD2' ' A' ' 24' ' ' PRO . . . -61.44 163.9 21.38 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.499 1.124 . . . . 0.0 111.044 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 64.9 m -142.95 163.5 32.63 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.473 0.749 . . . . 0.0 110.067 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.487 ' CH2' ' HG3' ' A' ' 30' ' ' GLN . 59.8 p-90 -75.24 -47.76 26.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 107.983 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.487 ' HG3' ' CH2' ' A' ' 29' ' ' TRP . 50.6 mt-30 -38.9 -70.26 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.276 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.445 ' HB3' ' CE1' ' A' ' 75' ' ' PHE . 0.1 OUTLIER -52.51 -48.42 66.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.562 1.163 . . . . 0.0 109.278 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.562 ' HA ' ' CE1' ' A' ' 75' ' ' PHE . 4.6 tt -48.15 -53.13 17.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.466 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 1.9 tttt -53.59 -65.89 0.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 33' ' ' LYS . 54.3 m-20 -38.98 -30.51 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.337 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.447 ' N ' ' O ' ' A' ' 33' ' ' LYS . 4.2 t60 -83.9 -61.52 1.8 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 109.573 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.469 ' CG ' HD22 ' A' ' 32' ' ' LEU . 24.6 mmm -49.6 -39.61 36.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 0.0 110.997 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.48 ' O ' ' C ' ' A' ' 38' ' ' GLU . 4.6 mmm180 -41.91 -25.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.48 ' C ' ' O ' ' A' ' 37' ' ' ARG . 0.4 OUTLIER -31.85 -40.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.317 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.575 ' HA ' ' CD1' ' A' ' 65' ' ' TYR . . . -60.97 -81.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -146.77 -111.57 0.68 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.498 1.124 . . . . 0.0 111.014 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -108.68 128.75 55.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 0.773 . . . . 0.0 109.277 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.456 ' CG2' ' HA ' ' A' ' 37' ' ' ARG . 11.7 t -102.63 116.61 46.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.337 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 15.1 t -95.53 -23.73 16.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 108.325 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.596 ' CD2' ' OE2' ' A' ' 56' ' ' GLU . 18.2 t80 -129.14 131.89 47.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.98 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -152.52 116.47 4.86 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -145.45 163.61 34.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.403 HG22 ' N ' ' A' ' 48' ' ' GLN . 2.3 p -142.07 142.78 27.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.575 1.172 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.403 ' N ' HG22 ' A' ' 47' ' ' VAL . 2.4 mt-30 -113.66 157.93 21.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.292 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.8 -178.84 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 0.0 109.325 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.2 t70 71.16 -58.55 0.57 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.272 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 145.99 54.43 0.02 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -118.18 158.94 24.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 0.751 . . . . 0.0 111.003 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -151.87 159.58 28.38 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.482 1.114 . . . . 0.0 110.987 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.555 ' HE2' ' CD1' ' A' ' 44' ' ' TYR . 2.3 ttp -153.53 117.47 4.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 0.766 . . . . 0.0 111.006 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.457 HG21 ' CG2' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -126.45 139.38 51.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.596 ' OE2' ' CD2' ' A' ' 44' ' ' TYR . 48.6 mt-10 -105.59 153.06 22.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.298 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.568 ' CD2' ' HA ' ' A' ' 63' ' ' MET . 24.4 m-85 -127.42 140.64 52.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.987 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -85.88 9.78 15.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.6 mmt180 -143.73 136.36 27.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.244 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.505 ' HB2' ' CE2' ' A' ' 16' ' ' PHE . 72.8 tttt -62.56 -57.08 12.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -46.72 -51.22 16.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 110.26 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.423 ' O ' ' HB3' ' A' ' 65' ' ' TYR . 74.7 m-20 -46.34 -50.06 16.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.568 ' HA ' ' CD2' ' A' ' 57' ' ' TYR . 18.6 ttp -51.97 -61.54 2.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 111.03 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -59.2 -44.32 92.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.325 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.575 ' CD1' ' HA ' ' A' ' 39' ' ' ALA . 22.2 t80 -50.06 -64.16 0.89 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.983 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.41 ' O ' ' HB2' ' A' ' 70' ' ' LEU . . . -58.35 -38.74 77.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.564 1.165 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.472 ' HG ' ' CG1' ' A' ' 18' ' ' VAL . 19.3 mt -51.02 -57.34 8.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.261 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.465 ' O ' ' C ' ' A' ' 69' ' ' LYS . 3.3 mmp_? -73.08 -67.08 0.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.313 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.465 ' C ' ' O ' ' A' ' 68' ' ' ARG . 0.1 OUTLIER -34.86 -60.22 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.639 ' O ' ' C ' ' A' ' 71' ' ' ASP . 21.5 mt -66.87 -62.81 1.25 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.639 ' C ' ' O ' ' A' ' 70' ' ' LEU . 35.3 t70 17.67 88.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 37.0 t0 64.97 105.92 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.149 . . . . 0.0 109.275 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.483 ' CG2' ' O ' ' A' ' 70' ' ' LEU . 5.6 p -140.59 176.07 9.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 110.367 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.0 ttpt -100.41 98.44 9.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 109.307 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.562 ' CE1' ' HA ' ' A' ' 32' ' ' LEU . 21.2 t80 -85.38 133.77 34.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.994 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.2 ttt-85 -108.07 113.72 27.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 0.0 110.298 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 33.2 p -69.37 177.23 2.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 110.0 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.483 ' CD2' ' HG2' ' A' ' 79' ' ' GLU . 0.1 OUTLIER -75.91 -15.15 60.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.594 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.483 ' HG2' ' CD2' ' A' ' 78' ' ' HIS . 4.1 mm-40 -90.38 -1.17 57.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.326 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 94.79 -31.36 6.95 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.508 1.13 . . . . 0.0 111.041 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -50.09 137.45 17.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 0.781 . . . . 0.0 110.274 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 20.2 p -120.05 141.3 49.87 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.475 1.109 . . . . 0.0 110.406 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.0 m -142.58 174.96 10.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.012 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -106.19 118.96 37.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 111.004 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.477 ' CG2' HD11 ' A' ' 23' ' ' LEU . 8.9 pt -120.42 134.05 65.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.18 158.91 15.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.317 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.6 t -123.72 112.46 33.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.438 1.086 . . . . 0.0 109.273 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.54 ' CD1' ' O ' ' A' ' 19' ' ' LEU . 11.8 p90 -138.01 158.68 70.79 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 110.985 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -179.3 4.86 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.483 1.781 . . . . 0.0 111.03 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.422 ' OE1' ' NH2' ' A' ' 17' ' ' ARG . 6.7 tt0 -87.12 144.5 26.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.52 109.18 19.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.277 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -114.48 143.87 44.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 110.001 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 37.8 p -178.17 127.03 0.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.968 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 171.13 146.54 5.27 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.503 1.127 . . . . 0.0 110.984 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 121.31 6.51 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.471 1.774 . . . . 0.0 110.999 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.2 m -67.58 -57.64 6.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.021 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 7.4 m 56.08 81.48 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.017 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.549 1.156 . . . . 0.0 110.984 -179.981 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.502 0.191 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.55 178.13 6.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 110.314 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 1.055 HG23 HG23 ' A' ' 55' ' ' VAL . 14.7 m -139.12 123.06 19.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.239 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 20.3 mt -83.59 126.5 32.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.628 HG13 ' HB ' ' A' ' 85' ' ' ILE . 40.4 t -114.05 128.17 71.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 109.261 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.405 ' O ' ' HA ' ' A' ' 85' ' ' ILE . 0.4 OUTLIER -135.76 148.37 48.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.049 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 51' ' ' GLY . . . 95.42 30.99 7.77 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.506 1.129 . . . . 0.0 111.006 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.48 ' HG ' HG21 ' A' ' 85' ' ' ILE . 2.9 mt -77.3 157.59 80.47 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.51 0.77 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 169.55 22.35 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.485 1.782 . . . . 0.0 111.011 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -13.91 21.37 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.453 1.765 . . . . 0.0 110.977 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.4 m -111.82 -10.25 14.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.002 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -52.47 147.67 13.45 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.478 1.111 . . . . 0.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 78.8 p -127.62 -177.87 4.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 0.787 . . . . 0.0 109.991 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.524 ' CZ3' ' HG2' ' A' ' 30' ' ' GLN . 44.7 p-90 -92.2 -31.14 15.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 107.977 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.524 ' HG2' ' CZ3' ' A' ' 29' ' ' TRP . 91.4 mt-30 -56.76 -64.11 0.98 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.473 1.108 . . . . 0.0 110.313 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.09 -43.05 95.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.249 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.745 HD23 ' C ' ' A' ' 32' ' ' LEU . 2.2 tt -52.28 -51.25 59.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.502 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 4.8 tttt -56.23 -62.2 1.87 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.142 . . . . 0.0 109.322 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -41.27 -28.47 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.418 ' N ' ' O ' ' A' ' 33' ' ' LYS . 4.7 t60 -83.93 -61.31 1.85 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.574 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.74 ' HG3' HG21 ' A' ' 55' ' ' VAL . 27.6 mmm -50.6 -39.46 49.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 110.981 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.502 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 1.4 mmm180 -43.91 -24.81 0.16 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 110.306 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.49 ' C ' ' O ' ' A' ' 37' ' ' ARG . 5.2 mm-40 -31.65 -40.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.299 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 1.047 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . . . -64.82 -81.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -142.11 -119.0 1.44 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.442 1.089 . . . . 0.0 110.966 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.74 ' HB3' HD13 ' A' ' 58' ' ' LEU . 8.1 t0 -106.82 134.56 49.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 0.756 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.732 HG11 HG12 ' A' ' 55' ' ' VAL . 15.6 t -100.35 119.16 48.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 23.2 p -92.35 -24.86 18.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 108.29 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -131.16 136.64 48.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 110.99 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -152.2 111.85 3.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -139.3 153.23 47.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.341 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.425 HG12 ' HB3' ' A' ' 29' ' ' TRP . 14.7 p -141.85 143.83 26.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -124.76 170.3 11.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.322 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.99 -171.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 73.46 -59.68 0.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.427 ' O ' ' N ' ' A' ' 22' ' ' GLY . . . 141.0 45.19 0.06 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.5 1.125 . . . . 0.0 110.955 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.424 ' HE3' ' O ' ' A' ' 20' ' ' VAL . 0.9 OUTLIER -119.84 160.99 21.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 0.775 . . . . 0.0 110.981 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -154.47 173.33 32.96 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.469 1.106 . . . . 0.0 110.99 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.442 ' HE3' ' CG ' ' A' ' 56' ' ' GLU . 2.6 ttp -155.08 133.53 11.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.543 0.79 . . . . 0.0 110.937 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 1.055 HG23 HG23 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -139.18 141.15 36.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.266 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.442 ' CG ' ' HE3' ' A' ' 54' ' ' MET . 3.0 mt-10 -121.44 135.17 55.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 110.315 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.684 ' CE1' ' HB3' ' A' ' 39' ' ' ALA . 38.4 m-85 -104.46 168.67 8.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.568 1.168 . . . . 0.0 111.009 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.74 HD13 ' HB3' ' A' ' 41' ' ' ASP . 3.7 mp -96.82 -17.67 20.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 32.7 mmt180 -122.09 145.5 48.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.338 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 32.8 tttt -63.29 -55.11 27.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.36 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -43.24 -50.92 6.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.335 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -44.15 -51.77 7.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.25 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.476 ' HG2' HD11 ' A' ' 67' ' ' LEU . 9.8 ttp -51.64 -67.16 0.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.989 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.444 ' HA ' HD12 ' A' ' 67' ' ' LEU . 16.1 mt-10 -53.69 -46.39 70.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.113 . . . . 0.0 110.24 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.573 ' CD1' ' HA ' ' A' ' 39' ' ' ALA . 28.7 t80 -50.09 -66.03 0.46 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 111.019 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 1.047 ' HB2' ' HB2' ' A' ' 39' ' ' ALA . . . -57.79 -38.08 74.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.625 HD23 HG12 ' A' ' 87' ' ' VAL . 19.7 mt -50.87 -58.1 6.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.258 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.455 ' O ' ' C ' ' A' ' 69' ' ' LYS . 7.2 mmt180 -72.9 -66.33 0.68 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.284 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.455 ' C ' ' O ' ' A' ' 68' ' ' ARG . 13.9 mptt -35.56 -61.1 0.47 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.839 ' O ' HG23 ' A' ' 73' ' ' THR . 21.2 mt -66.22 -62.09 1.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.259 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.635 ' C ' ' O ' ' A' ' 70' ' ' LEU . 34.0 t70 17.96 88.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 44.3 t0 63.96 106.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.429 1.081 . . . . 0.0 109.281 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.839 HG23 ' O ' ' A' ' 70' ' ' LEU . 5.4 p -140.46 170.2 16.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 0.0 110.407 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 21.9 tttt -95.72 99.3 11.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.421 ' CE1' ' HA ' ' A' ' 32' ' ' LEU . 44.6 t80 -89.48 129.64 35.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.942 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.6 ttt180 -98.83 121.42 40.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 110.294 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 52.7 p -72.87 178.51 4.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 110.017 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -79.08 -6.6 56.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.587 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -104.28 12.65 33.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 0.0 110.317 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 87.8 -41.57 3.08 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.559 1.162 . . . . 0.0 111.032 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -43.46 165.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 0.75 . . . . 0.0 110.288 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.41 ' HA ' ' O ' ' A' ' 75' ' ' PHE . 67.8 p -141.5 165.9 26.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.399 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 37.6 m -162.38 153.85 18.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.998 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -89.27 106.84 18.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.991 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.628 ' HB ' HG13 ' A' ' 20' ' ' VAL . 4.2 pt -105.94 129.57 58.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -90.9 152.01 20.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.255 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.773 HG21 ' HB2' ' A' ' 70' ' ' LEU . 1.8 t -118.25 113.44 42.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.496 ' HA ' HD22 ' A' ' 67' ' ' LEU . 11.0 p90 -144.89 159.61 49.6 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.977 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 178.12 7.7 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.519 1.8 . . . . 0.0 110.99 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 -179.992 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.417 ' HA ' ' SD ' ' A' ' 63' ' ' MET . 11.2 m-85 . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.53 0.205 . . . . 0.0 110.992 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.446 ' NH1' ' OE1' ' A' ' 90' ' ' GLU . 0.1 OUTLIER -139.18 177.85 7.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.27 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.867 HG23 HG23 ' A' ' 55' ' ' VAL . 29.8 m -136.47 126.12 38.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.263 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.6 mt -84.76 123.88 30.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.299 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 92.4 t -107.11 137.23 39.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.421 ' O ' ' HA ' ' A' ' 85' ' ' ILE . 0.5 OUTLIER -146.53 152.65 39.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.988 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.489 ' C ' HG22 ' A' ' 85' ' ' ILE . . . 87.53 34.88 9.84 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.459 1.099 . . . . 0.0 111.013 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.403 ' HG ' HG21 ' A' ' 85' ' ' ILE . 2.2 mt -81.0 157.46 71.32 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.514 0.773 . . . . 0.0 109.314 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 170.83 19.55 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.502 1.791 . . . . 0.0 111.009 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -12.05 21.51 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.471 1.774 . . . . 0.0 110.975 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.8 p -113.71 -8.48 13.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.565 1.165 . . . . 0.0 109.982 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -50.24 145.85 9.03 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.471 1.107 . . . . 0.0 110.992 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.8 m -128.1 -177.49 4.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 0.763 . . . . 0.0 110.001 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.632 ' CH2' ' NE2' ' A' ' 30' ' ' GLN . 62.1 p-90 -90.96 -41.75 10.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 108.03 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.632 ' NE2' ' CH2' ' A' ' 29' ' ' TRP . 10.6 mm-40 -48.54 -71.62 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 110.312 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.73 -43.14 65.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.693 HD23 ' C ' ' A' ' 32' ' ' LEU . 3.5 tt -52.26 -54.0 36.83 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.482 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 7.2 ttpt -55.35 -59.98 4.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -42.1 -27.34 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.42 ' N ' ' C ' ' A' ' 33' ' ' LYS . 4.1 t60 -86.42 -56.55 3.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.644 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.716 ' HG3' HG21 ' A' ' 55' ' ' VAL . 28.4 mmm -55.8 -40.19 72.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 111.031 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.486 ' O ' ' C ' ' A' ' 38' ' ' GLU . 7.0 mmm-85 -41.08 -26.61 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.325 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.486 ' C ' ' O ' ' A' ' 37' ' ' ARG . 0.4 OUTLIER -31.74 -40.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.299 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 1.031 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . . . -60.82 -80.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -147.61 -108.87 0.53 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.477 1.111 . . . . 0.0 111.02 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -114.53 129.73 56.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 0.749 . . . . 0.0 109.287 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.643 HG11 HG12 ' A' ' 55' ' ' VAL . 7.9 t -101.36 119.75 49.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 10.7 t -95.52 -29.26 14.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 108.286 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.47 ' CB ' ' OE1' ' A' ' 56' ' ' GLU . 6.7 t80 -125.66 132.16 52.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -152.14 114.22 4.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -135.95 155.78 49.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.294 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.448 HG12 ' HB3' ' A' ' 29' ' ' TRP . 10.9 p -142.18 140.87 29.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -123.45 170.64 10.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.32 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.12 -172.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 74.16 -58.94 0.57 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 139.79 44.75 0.07 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -117.71 161.21 20.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 0.788 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -154.93 169.7 33.09 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.454 1.097 . . . . 0.0 111.001 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.468 ' CE ' ' HG3' ' A' ' 56' ' ' GLU . 1.2 ttp -154.8 127.57 8.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 0.785 . . . . 0.0 110.987 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.867 HG23 HG23 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -135.75 138.24 48.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 109.319 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.47 ' OE1' ' CB ' ' A' ' 44' ' ' TYR . 40.9 mt-10 -111.99 149.15 32.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.345 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.927 ' CE1' ' HB3' ' A' ' 39' ' ' ALA . 44.4 m-85 -121.14 146.41 46.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 110.963 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.454 HD22 ' N ' ' A' ' 58' ' ' LEU . 2.2 mm? -83.6 -5.22 59.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 109.269 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 9.7 mmt180 -129.67 133.27 47.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 110.278 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 75.0 tttt -57.41 -53.07 62.33 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -48.62 -55.53 10.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.155 . . . . 0.0 110.336 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.41 ' O ' ' HB3' ' A' ' 65' ' ' TYR . 81.6 m-20 -40.06 -53.04 2.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.534 ' HA ' ' CD2' ' A' ' 57' ' ' TYR . 17.0 ttp -49.25 -61.96 1.8 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 111.023 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.422 ' HA ' HD12 ' A' ' 67' ' ' LEU . 13.5 mt-10 -59.36 -45.27 91.89 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 110.276 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.568 ' CD1' ' HA ' ' A' ' 39' ' ' ALA . 18.0 t80 -50.47 -62.04 1.83 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 111.001 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 1.031 ' HB2' ' HB2' ' A' ' 39' ' ' ALA . . . -60.08 -38.29 82.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.816 HD23 HG12 ' A' ' 87' ' ' VAL . 18.7 mt -51.77 -56.18 15.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.453 ' O ' ' C ' ' A' ' 69' ' ' LYS . 11.2 mmt180 -72.97 -66.92 0.61 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 110.288 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 68' ' ' ARG . 9.9 mptt -35.93 -60.79 0.52 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.87 ' O ' HG23 ' A' ' 73' ' ' THR . 20.5 mt -65.78 -62.68 1.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 109.27 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.633 ' C ' ' O ' ' A' ' 70' ' ' LEU . 36.1 t0 18.46 90.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.3 t70 60.86 106.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.87 HG23 ' O ' ' A' ' 70' ' ' LEU . 3.0 p -138.2 178.03 7.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 110.391 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -101.93 99.2 9.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 109.257 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -83.57 149.35 26.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 111.02 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 45.3 ttp85 -123.64 114.99 20.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 74.8 p -72.02 173.89 7.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.966 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -72.5 -15.29 61.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.611 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -96.18 5.35 51.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.304 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 92.91 -41.48 2.72 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.493 1.12 . . . . 0.0 111.044 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -38.81 139.32 0.45 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 0.781 . . . . 0.0 110.251 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 77.6 p -124.11 155.12 38.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 110.379 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 83.0 p -156.08 164.15 38.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.035 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -96.92 109.13 21.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.093 . . . . 0.0 110.974 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.489 HG22 ' C ' ' A' ' 22' ' ' GLY . 5.9 pt -107.89 130.37 60.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.127 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.64 152.23 20.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.269 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.816 HG12 HD23 ' A' ' 67' ' ' LEU . 2.0 t -117.25 115.86 50.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.514 ' HA ' HD22 ' A' ' 67' ' ' LEU . 10.9 p90 -146.37 158.01 48.0 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.122 . . . . 0.0 110.933 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 178.65 6.99 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.498 1.788 . . . . 0.0 111.013 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.446 ' OE1' ' NH1' ' A' ' 17' ' ' ARG . 1.4 tt0 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.112 . . . . 0.0 110.29 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.531 0.205 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.57 177.7 7.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 110.268 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.88 HG23 HG23 ' A' ' 55' ' ' VAL . 27.8 m -137.93 124.8 27.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.675 HD11 ' HG2' ' A' ' 90' ' ' GLU . 15.0 mt -83.67 128.04 34.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.552 HG13 ' HB ' ' A' ' 85' ' ' ILE . 70.4 t -112.26 135.96 49.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.342 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 75.1 p -143.34 138.99 29.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.957 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.416 ' O ' HG22 ' A' ' 85' ' ' ILE . . . 99.23 51.0 1.38 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.522 1.139 . . . . 0.0 111.021 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.451 HD23 ' CD2' ' A' ' 75' ' ' PHE . 1.7 mt -100.38 157.22 34.18 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.505 0.767 . . . . 0.0 109.273 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.41 ' CG ' ' HB3' ' A' ' 77' ' ' SER . 18.4 Cg_endo -75.0 168.17 25.43 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.463 1.77 . . . . 0.0 111.039 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -12.97 21.55 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.482 1.78 . . . . 0.0 111.024 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.7 m -109.89 -14.41 14.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.021 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -47.33 155.57 0.92 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.461 1.101 . . . . 0.0 111.009 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 45.6 m -134.67 174.64 10.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 0.779 . . . . 0.0 109.991 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.542 ' HB3' HG12 ' A' ' 47' ' ' VAL . 56.4 p-90 -81.41 -42.77 19.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 108.01 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.525 ' CG ' ' CH2' ' A' ' 29' ' ' TRP . 29.1 mt-30 -48.79 -72.37 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.06 -42.53 60.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.829 HD23 ' C ' ' A' ' 32' ' ' LEU . 0.8 OUTLIER -53.12 -48.4 67.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.504 ' N ' HD23 ' A' ' 32' ' ' LEU . 21.8 ttpt -59.64 -59.2 5.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -40.18 -29.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.434 ' N ' ' O ' ' A' ' 33' ' ' LYS . 5.7 t60 -83.0 -47.88 11.25 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.419 1.074 . . . . 0.0 109.6 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.756 ' HG3' HG21 ' A' ' 55' ' ' VAL . 29.8 mmm -62.87 -41.36 99.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.966 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.485 ' O ' ' C ' ' A' ' 38' ' ' GLU . 14.5 mtm180 -40.66 -26.96 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.283 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.485 ' C ' ' O ' ' A' ' 37' ' ' ARG . 0.4 OUTLIER -31.0 -40.61 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.299 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 1.02 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . . . -63.88 -81.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -147.15 -115.86 0.9 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.505 1.128 . . . . 0.0 111.031 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -105.5 134.85 47.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 0.748 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.452 HG11 HG12 ' A' ' 55' ' ' VAL . 2.8 t -103.95 126.36 58.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.488 ' HB2' HD11 ' A' ' 58' ' ' LEU . 4.5 t -99.26 -32.84 11.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 108.306 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.408 ' CB ' ' HB2' ' A' ' 56' ' ' GLU . 14.8 t80 -121.02 140.04 52.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -151.61 113.14 4.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -140.8 148.44 40.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.419 1.074 . . . . 0.0 109.292 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.542 HG12 ' HB3' ' A' ' 29' ' ' TRP . 7.0 p -131.2 137.73 54.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -105.97 164.43 11.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.288 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.462 ' O ' ' CB ' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -67.93 175.89 2.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 109.338 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.462 ' CB ' ' O ' ' A' ' 49' ' ' LYS . 8.2 t70 79.53 -58.04 0.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.269 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 151.36 44.29 0.02 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.49 1.119 . . . . 0.0 111.006 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.47 ' O ' HG23 ' A' ' 47' ' ' VAL . 0.8 OUTLIER -111.56 158.62 19.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 0.767 . . . . 0.0 110.992 -179.942 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -148.69 158.1 27.54 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.484 1.115 . . . . 0.0 110.966 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.521 ' CE ' ' CG ' ' A' ' 56' ' ' GLU . 0.4 OUTLIER -150.04 132.28 15.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 0.746 . . . . 0.0 110.973 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.88 HG23 HG23 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -141.58 138.4 32.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 109.29 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.521 ' CG ' ' CE ' ' A' ' 54' ' ' MET . 9.5 mt-10 -117.82 123.36 45.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.097 . . . . 0.0 110.311 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.707 ' CE1' ' HB3' ' A' ' 39' ' ' ALA . 51.1 m-85 -91.11 162.54 14.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 110.941 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.49 HD22 ' N ' ' A' ' 58' ' ' LEU . 2.9 mm? -83.25 -38.78 21.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.432 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 11.0 mmp_? -99.81 -174.42 2.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 110.297 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 44.9 tttt -99.5 -57.95 2.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -43.58 -50.32 7.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.288 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' A' ' 59' ' ' ARG . 2.2 p30 -45.92 -48.84 16.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.558 ' HA ' ' CD2' ' A' ' 57' ' ' TYR . 26.6 ttp -56.07 -65.94 0.51 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 111.042 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -52.27 -45.61 65.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.313 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.583 ' CD1' ' HA ' ' A' ' 39' ' ' ALA . 17.9 t80 -50.41 -61.8 1.97 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 110.972 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 1.02 ' HB2' ' HB2' ' A' ' 39' ' ' ALA . . . -59.98 -38.87 83.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.95 HD23 HG12 ' A' ' 87' ' ' VAL . 19.7 mt -51.59 -55.3 20.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.466 ' O ' ' C ' ' A' ' 69' ' ' LYS . 26.3 mmt85 -73.86 -67.89 0.56 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.466 ' C ' ' O ' ' A' ' 68' ' ' ARG . 9.6 mptt -35.27 -59.5 0.52 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.345 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.762 ' HB2' HG21 ' A' ' 87' ' ' VAL . 17.0 mt -66.7 -61.27 2.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.344 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.655 ' C ' ' O ' ' A' ' 70' ' ' LEU . 27.0 t70 15.04 80.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.407 ' CB ' ' O ' ' A' ' 71' ' ' ASP . 7.5 t0 75.04 100.86 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.334 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.712 HG23 ' O ' ' A' ' 70' ' ' LEU . 17.2 p -133.66 168.35 18.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 110.405 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.1 tttt -97.15 100.82 12.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.451 ' CD2' HD23 ' A' ' 23' ' ' LEU . 54.2 t80 -88.77 127.28 35.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.565 1.165 . . . . 0.0 111.007 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 28.5 ttp180 -96.65 114.03 25.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.33 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.41 ' HB3' ' CG ' ' A' ' 24' ' ' PRO . 46.7 p -65.59 159.03 25.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 110.001 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -62.43 -15.47 49.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.632 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -94.55 5.78 50.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.271 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 94.22 -39.81 2.85 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.477 1.11 . . . . 0.0 110.997 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -43.29 136.73 2.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 0.752 . . . . 0.0 110.293 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.9 p -114.24 143.38 44.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.39 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 60.1 m -145.96 161.33 40.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 110.003 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -98.06 120.25 38.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 0.0 110.998 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.552 ' HB ' HG13 ' A' ' 20' ' ' VAL . 4.8 pt -114.3 130.15 69.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.29 144.76 25.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.323 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.95 HG12 HD23 ' A' ' 67' ' ' LEU . 2.0 t -114.47 120.1 63.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.26 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 24.0 p90 -151.12 156.8 35.39 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 171.31 18.57 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.462 1.77 . . . . 0.0 110.994 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.675 ' HG2' HD11 ' A' ' 19' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.317 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.41 ' HA ' ' SD ' ' A' ' 63' ' ' MET . 37.9 m-85 . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.496 0.189 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.416 ' HB3' ' CG ' ' A' ' 56' ' ' GLU . 4.1 ptp180 -116.83 177.34 4.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.33 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.901 HG23 HG23 ' A' ' 55' ' ' VAL . 14.6 m -134.48 124.82 45.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.413 HD11 ' HG2' ' A' ' 90' ' ' GLU . 13.6 mt -82.79 127.54 33.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.441 ' CG1' HD11 ' A' ' 23' ' ' LEU . 12.9 t -114.15 134.36 57.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 9.0 p -141.83 153.22 44.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.036 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.54 ' C ' HG22 ' A' ' 85' ' ' ILE . . . 87.99 40.57 6.58 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.543 1.152 . . . . 0.0 111.007 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.51 HD23 ' CD2' ' A' ' 75' ' ' PHE . 3.7 mt -90.73 158.41 42.46 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.489 0.758 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 171.01 19.15 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.51 1.795 . . . . 0.0 110.993 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -21.79 15.47 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.498 1.788 . . . . 0.0 111.024 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.5 m -104.63 -8.63 18.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.015 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -57.36 136.78 50.27 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.516 1.135 . . . . 0.0 110.977 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.4 m -114.4 177.04 4.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 0.773 . . . . 0.0 109.981 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.695 ' HB3' HG22 ' A' ' 47' ' ' VAL . 51.1 p-90 -84.34 -36.56 22.44 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.448 ' HG3' ' CZ3' ' A' ' 29' ' ' TRP . 52.0 mt-30 -50.38 -73.21 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 110.295 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -49.67 -39.24 35.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 109.263 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.807 HD23 ' C ' ' A' ' 32' ' ' LEU . 0.9 OUTLIER -57.01 -48.99 77.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.518 ' N ' HD23 ' A' ' 32' ' ' LEU . 9.6 ttpt -57.79 -56.08 26.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -47.51 -23.84 0.72 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -88.81 -48.62 7.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 109.597 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.649 ' HG3' HG21 ' A' ' 55' ' ' VAL . 28.3 mmm -63.51 -40.54 97.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 111.004 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.501 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 1.4 mtm180 -42.21 -25.56 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 110.3 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.493 ' C ' ' O ' ' A' ' 37' ' ' ARG . 0.4 OUTLIER -31.22 -40.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 110.295 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 1.019 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . . . -63.35 -83.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -140.31 -122.74 1.94 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.499 1.124 . . . . 0.0 110.997 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -107.12 130.26 54.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 0.735 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.459 HG11 HG12 ' A' ' 55' ' ' VAL . 21.5 t -90.78 133.44 32.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.462 ' HB2' HD21 ' A' ' 58' ' ' LEU . 22.8 t -99.32 -32.13 11.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 108.317 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -140.92 139.72 34.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 111.014 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -144.01 128.15 17.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -144.17 161.64 38.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.695 HG22 ' HB3' ' A' ' 29' ' ' TRP . 0.9 OUTLIER -133.69 152.32 34.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.328 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -124.43 162.52 23.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.298 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.402 ' O ' ' CB ' ' A' ' 50' ' ' ASP . 2.2 pttp -65.89 178.08 1.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.402 ' CB ' ' O ' ' A' ' 49' ' ' LYS . 0.9 OUTLIER 75.03 -57.89 0.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 22' ' ' GLY . . . 149.36 44.4 0.03 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.531 1.144 . . . . 0.0 111.008 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -113.66 160.93 18.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 0.774 . . . . 0.0 110.982 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -152.16 167.06 31.19 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.475 1.11 . . . . 0.0 110.977 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -152.01 136.22 16.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 0.76 . . . . 0.0 110.979 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.901 HG23 HG23 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -142.07 130.92 22.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.416 ' CG ' ' HB3' ' A' ' 17' ' ' ARG . 1.4 mt-10 -110.52 113.24 25.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.297 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.578 ' CE1' ' HB3' ' A' ' 39' ' ' ALA . 25.1 m-85 -82.01 176.28 9.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 111.003 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.462 HD21 ' HB2' ' A' ' 43' ' ' CYS . 13.0 mt -105.54 -11.87 16.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 16.1 mmm180 -129.51 144.42 51.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 110.338 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 20.3 tttp -67.43 -53.45 28.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.239 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -48.49 -38.12 19.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.265 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 -59.6 -45.42 91.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.522 ' HG3' HG13 ' A' ' 18' ' ' VAL . 9.4 ttp -54.91 -60.58 3.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 111.033 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -56.76 -45.28 82.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.341 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.58 ' CD1' ' HA ' ' A' ' 39' ' ' ALA . 18.2 t80 -51.03 -62.16 1.79 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.978 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 1.019 ' HB2' ' HB2' ' A' ' 39' ' ' ALA . . . -59.73 -39.79 85.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.582 1.176 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.877 HD23 HG12 ' A' ' 87' ' ' VAL . 18.5 mt -51.03 -55.46 17.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.465 ' O ' ' C ' ' A' ' 69' ' ' LYS . 22.0 mmm180 -73.12 -68.4 0.49 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.267 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.465 ' C ' ' O ' ' A' ' 68' ' ' ARG . 1.1 mptp? -34.97 -60.65 0.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.083 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.752 ' O ' HG23 ' A' ' 73' ' ' THR . 20.4 mt -65.36 -62.06 1.75 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.262 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.658 ' C ' ' O ' ' A' ' 70' ' ' LEU . 29.1 t70 15.97 86.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.405 ' OD1' ' CD2' ' A' ' 84' ' ' TYR . 7.6 t0 68.77 104.49 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.752 HG23 ' O ' ' A' ' 70' ' ' LEU . 9.9 p -136.69 171.45 14.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 110.398 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.404 ' HE3' HG21 ' A' ' 82' ' ' THR . 14.1 tttt -99.0 99.48 10.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.51 ' CD2' HD23 ' A' ' 23' ' ' LEU . 50.1 t80 -87.08 127.88 35.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.113 . . . . 0.0 111.004 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 21.9 ttp180 -99.87 111.83 24.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.427 1.08 . . . . 0.0 110.308 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 23.7 p -64.06 159.73 19.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.581 1.176 . . . . 0.0 109.963 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -61.46 -18.04 57.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.608 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -87.51 -3.03 59.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 98.66 -29.92 10.66 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.527 1.142 . . . . 0.0 110.955 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -49.12 156.06 0.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 0.785 . . . . 0.0 110.319 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.404 HG21 ' HE3' ' A' ' 74' ' ' LYS . 10.0 p -125.24 157.41 36.61 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 110.425 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 38.1 m -163.5 152.48 14.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.029 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.405 ' CD2' ' OD1' ' A' ' 72' ' ' ASP . 0.1 OUTLIER -94.35 111.43 23.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.962 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.54 HG22 ' C ' ' A' ' 22' ' ' GLY . 12.0 pt -109.89 132.84 57.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.277 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.22 152.57 19.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.349 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.877 HG12 HD23 ' A' ' 67' ' ' LEU . 1.9 t -117.86 114.36 45.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.444 1.09 . . . . 0.0 109.32 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.423 ' HA ' HD22 ' A' ' 67' ' ' LEU . 12.4 p90 -144.84 156.68 55.58 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -177.09 3.23 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.476 1.777 . . . . 0.0 110.984 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.413 ' HG2' HD11 ' A' ' 19' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 110.313 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.487 ' CE2' ' HB2' ' A' ' 60' ' ' LYS . 53.2 m-85 . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.525 0.202 . . . . 0.0 110.987 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.3 ptp85 -129.06 177.71 6.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.319 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.958 HG23 HG23 ' A' ' 55' ' ' VAL . 21.2 m -132.74 122.97 48.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.528 ' O ' ' CD1' ' A' ' 88' ' ' TYR . 7.6 mt -82.48 124.25 29.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.272 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.435 ' O ' ' N ' ' A' ' 53' ' ' GLY . 79.6 t -110.07 140.26 29.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 93.3 p -149.03 129.06 13.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.97 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.622 ' O ' HG22 ' A' ' 85' ' ' ILE . . . 110.78 48.37 0.74 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.497 1.123 . . . . 0.0 111.025 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.904 HD12 ' O ' ' A' ' 51' ' ' GLY . 5.4 mt -91.79 157.46 41.55 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.507 0.769 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 170.15 21.05 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.513 1.796 . . . . 0.0 110.974 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -13.26 21.38 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.529 1.805 . . . . 0.0 111.03 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.407 ' CB ' ' HB2' ' A' ' 79' ' ' GLU . 42.0 p -113.94 -12.52 12.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 109.995 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -51.28 158.02 2.54 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.502 1.126 . . . . 0.0 111.019 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 58.7 m -141.21 173.37 11.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 0.75 . . . . 0.0 110.001 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.569 ' CZ2' ' HG3' ' A' ' 30' ' ' GLN . 47.3 p-90 -77.52 -44.62 28.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 108.018 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.569 ' HG3' ' CZ2' ' A' ' 29' ' ' TRP . 47.2 mt-30 -45.95 -73.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.327 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.423 ' HB3' ' CE1' ' A' ' 75' ' ' PHE . 0.5 OUTLIER -49.93 -47.85 52.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.26 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.809 HD23 ' C ' ' A' ' 32' ' ' LEU . 1.0 OUTLIER -47.45 -48.2 26.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.492 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 12.8 ttpt -56.62 -60.54 3.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -40.72 -29.09 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.428 ' N ' ' O ' ' A' ' 33' ' ' LYS . 4.4 t60 -84.77 -60.03 2.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.581 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.747 ' HG3' HG21 ' A' ' 55' ' ' VAL . 27.2 mmm -51.52 -38.32 53.54 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.097 . . . . 0.0 111.013 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.492 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 6.6 mmm180 -44.2 -25.01 0.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 110.288 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.476 ' C ' ' O ' ' A' ' 37' ' ' ARG . 3.4 mm-40 -32.04 -40.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.298 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 1.093 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . . . -61.19 -82.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -142.74 -106.17 0.57 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.453 1.096 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.444 ' HB3' HD23 ' A' ' 58' ' ' LEU . 24.8 t0 -120.37 131.24 54.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 0.762 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.512 HG11 HG12 ' A' ' 55' ' ' VAL . 9.8 t -96.47 119.14 44.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.618 ' HB2' HD11 ' A' ' 58' ' ' LEU . 19.3 t -88.26 -20.28 25.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 108.306 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 52.4 t80 -150.39 141.75 23.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.983 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -151.35 114.87 4.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -131.5 167.22 19.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.477 HG23 ' HB3' ' A' ' 29' ' ' TRP . 52.0 t -142.01 143.2 27.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -118.69 166.36 12.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.56 ' O ' ' CB ' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -62.55 165.74 5.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.166 . . . . 0.0 109.287 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.56 ' CB ' ' O ' ' A' ' 49' ' ' LYS . 3.0 t0 88.02 -37.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.904 ' O ' HD12 ' A' ' 23' ' ' LEU . . . 130.32 -1.65 5.73 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.523 1.139 . . . . 0.0 111.027 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.19 161.48 13.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.566 0.804 . . . . 0.0 111.059 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -154.23 163.74 31.17 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.447 1.092 . . . . 0.0 110.955 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.9 131.99 16.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 0.742 . . . . 0.0 111.01 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.958 HG23 HG23 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -143.7 132.97 20.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -103.35 157.54 16.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 110.273 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.749 ' CE1' ' HB3' ' A' ' 39' ' ' ALA . 25.8 m-85 -130.38 146.44 51.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.986 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.618 HD11 ' HB2' ' A' ' 43' ' ' CYS . 1.3 mm? -86.58 9.79 17.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.353 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 19.9 mmt180 -146.2 127.46 14.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 110.296 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.487 ' HB2' ' CE2' ' A' ' 16' ' ' PHE . 81.0 tttt -57.93 -57.02 14.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -48.78 -47.7 41.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.329 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -53.93 -37.1 63.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.329 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.681 ' SD ' HD11 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -59.51 -53.86 53.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 111.009 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.592 ' HA ' HD12 ' A' ' 67' ' ' LEU . 25.3 mt-10 -64.94 -40.3 94.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.581 ' CD1' ' HA ' ' A' ' 39' ' ' ALA . 20.3 t80 -50.12 -63.4 1.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.973 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 1.093 ' HB2' ' HB2' ' A' ' 39' ' ' ALA . . . -58.93 -38.47 79.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.718 HD23 HG12 ' A' ' 87' ' ' VAL . 19.6 mt -51.32 -56.98 10.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.461 ' O ' ' C ' ' A' ' 69' ' ' LYS . 3.2 mmt180 -72.86 -66.89 0.61 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.299 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.461 ' C ' ' O ' ' A' ' 68' ' ' ARG . 13.3 mptt -35.5 -60.73 0.49 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.762 ' HB2' HG21 ' A' ' 87' ' ' VAL . 19.2 mt -65.65 -62.08 1.72 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.648 ' C ' ' O ' ' A' ' 70' ' ' LEU . 38.5 t70 15.91 76.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.327 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.451 ' CB ' ' O ' ' A' ' 71' ' ' ASP . 9.1 t0 78.82 102.63 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.746 HG23 ' O ' ' A' ' 70' ' ' LEU . 20.3 p -138.96 166.86 23.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.373 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.5 tttt -94.57 105.86 17.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.532 ' CE1' ' HA ' ' A' ' 32' ' ' LEU . 35.5 t80 -93.87 127.9 39.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.992 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.8 ttp180 -94.63 118.13 31.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 110.287 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 84.3 p -70.38 167.54 17.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 110.038 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -69.21 -14.47 62.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.441 1.088 . . . . 0.0 109.58 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.407 ' HB2' ' CB ' ' A' ' 26' ' ' SER . 1.0 OUTLIER -94.28 -3.56 50.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.283 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 103.71 -38.83 3.05 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.506 1.129 . . . . 0.0 110.983 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -41.89 159.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 0.773 . . . . 0.0 110.299 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 23.6 p -137.38 156.77 47.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.372 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 51.4 p -160.47 162.28 33.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.007 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -95.38 112.37 24.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 110.957 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.622 HG22 ' O ' ' A' ' 22' ' ' GLY . 6.5 pt -106.63 130.72 58.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.59 153.8 20.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.268 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.762 HG21 ' HB2' ' A' ' 70' ' ' LEU . 2.2 t -124.29 116.85 48.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.528 ' CD1' ' O ' ' A' ' 19' ' ' LEU . 13.7 p90 -145.45 157.83 51.77 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 166.63 28.81 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.469 1.773 . . . . 0.0 111.007 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.417 ' HG2' HD11 ' A' ' 19' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.317 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.565 ' CD1' ' HG3' ' A' ' 60' ' ' LYS . 42.2 m-85 . . . . . 0 N--CA 1.454 -0.266 0 CA-C-O 120.461 0.172 . . . . 0.0 110.947 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.555 ' HD2' HD11 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -128.59 177.97 6.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.165 . . . . 0.0 110.271 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.859 HG23 HG23 ' A' ' 55' ' ' VAL . 27.8 m -139.3 124.8 21.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 109.293 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.713 HD21 ' CG ' ' A' ' 90' ' ' GLU . 1.1 mm? -84.46 128.7 34.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.271 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.429 ' O ' ' N ' ' A' ' 53' ' ' GLY . 62.4 t -115.57 134.7 57.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.407 ' O ' ' HA ' ' A' ' 85' ' ' ILE . 0.4 OUTLIER -142.9 149.97 39.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 110.009 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 51' ' ' GLY . . . 91.01 47.35 3.64 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.453 1.096 . . . . 0.0 111.065 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.456 ' HG ' ' CG2' ' A' ' 85' ' ' ILE . 1.5 mt -94.74 157.05 37.55 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.509 0.77 . . . . 0.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 172.04 17.14 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.49 1.784 . . . . 0.0 110.956 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -19.3 17.97 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.497 1.788 . . . . 0.0 110.984 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.4 m -105.3 -10.22 17.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.991 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -55.46 144.87 32.69 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.482 1.113 . . . . 0.0 110.992 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.15 -177.42 4.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 0.733 . . . . 0.0 110.028 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.57 ' CH2' ' HG2' ' A' ' 30' ' ' GLN . 39.7 p-90 -88.75 -36.33 16.19 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.57 ' HG2' ' CH2' ' A' ' 29' ' ' TRP . 7.0 mt-30 -47.08 -70.74 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.336 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.37 -50.82 68.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.815 HD23 ' C ' ' A' ' 32' ' ' LEU . 0.9 OUTLIER -45.48 -47.14 14.02 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.513 ' O ' ' N ' ' A' ' 36' ' ' MET . 7.5 tttt -55.26 -69.67 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 33' ' ' LYS . 5.9 t0 -39.45 -38.0 0.52 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -68.36 -47.63 66.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.622 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.73 ' HG3' HG21 ' A' ' 55' ' ' VAL . 28.8 mmm -67.7 -41.81 83.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.14 . . . . 0.0 111.011 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.494 ' O ' ' C ' ' A' ' 38' ' ' GLU . 21.5 mtp180 -39.58 -28.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 110.304 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.494 ' C ' ' O ' ' A' ' 37' ' ' ARG . 5.2 mm-40 -31.18 -40.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.322 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 1.085 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . . . -62.2 -81.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -149.18 -123.15 1.24 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.505 1.128 . . . . 0.0 110.978 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.683 ' HB3' HD13 ' A' ' 58' ' ' LEU . 0.7 OUTLIER -95.4 133.62 39.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 0.788 . . . . 0.0 109.289 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.45 HG21 ' HG2' ' A' ' 37' ' ' ARG . 24.9 t -104.18 116.56 48.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 25.8 p -93.78 -24.14 17.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 108.35 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.522 ' CD1' ' HE2' ' A' ' 54' ' ' MET . 16.1 t80 -129.9 137.46 50.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -152.22 114.43 4.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.265 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -145.34 158.92 43.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 109.329 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 52' ' ' MET . 7.8 p -139.18 140.68 37.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -109.64 162.28 14.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.32 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.31 -178.37 0.25 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 109.262 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.1 t70 74.22 -58.85 0.57 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.419 ' O ' ' N ' ' A' ' 22' ' ' GLY . . . 149.91 44.14 0.03 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.474 1.109 . . . . 0.0 110.983 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.504 ' O ' HG23 ' A' ' 47' ' ' VAL . 0.9 OUTLIER -110.14 166.38 11.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 0.779 . . . . 0.0 111.018 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -158.5 160.62 31.13 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.485 1.115 . . . . 0.0 110.989 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.522 ' HE2' ' CD1' ' A' ' 44' ' ' TYR . 2.0 ttp -153.34 130.83 11.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 0.756 . . . . 0.0 111.009 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.859 HG23 HG23 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -138.89 142.46 34.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.34 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.434 ' CG ' ' HE3' ' A' ' 54' ' ' MET . 13.7 mt-10 -117.66 140.36 49.76 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.475 1.109 . . . . 0.0 110.283 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.722 ' CE1' ' HB3' ' A' ' 39' ' ' ALA . 43.1 m-85 -111.08 169.49 8.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 111.023 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.683 HD13 ' HB3' ' A' ' 41' ' ' ASP . 4.6 mp -95.89 -35.97 11.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.115 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 5.6 mmt-85 -105.29 139.35 40.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.262 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.565 ' HG3' ' CD1' ' A' ' 16' ' ' PHE . 25.1 tttp -58.43 -56.64 19.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.238 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -45.23 -52.68 9.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.301 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.583 ' O ' ' HB1' ' A' ' 39' ' ' ALA . 97.1 m-20 -46.81 -37.17 8.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.703 ' SD ' HD11 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -62.91 -67.69 0.4 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 111.019 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.649 ' HA ' HD12 ' A' ' 67' ' ' LEU . 27.0 mt-10 -52.61 -39.43 61.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 110.312 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.588 ' CD1' ' HA ' ' A' ' 39' ' ' ALA . 34.2 t80 -50.64 -68.51 0.16 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.997 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 1.085 ' HB2' ' HB2' ' A' ' 39' ' ' ALA . . . -55.79 -38.09 69.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.821 HD23 HG12 ' A' ' 87' ' ' VAL . 25.4 mt -50.81 -57.96 7.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.332 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.46 ' O ' ' C ' ' A' ' 69' ' ' LYS . 3.0 mmt180 -73.61 -66.38 0.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.298 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.497 ' HD3' ' CD2' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -35.07 -60.0 0.48 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.853 ' O ' HG23 ' A' ' 73' ' ' THR . 18.9 mt -67.56 -62.0 1.62 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.64 ' C ' ' O ' ' A' ' 70' ' ' LEU . 38.5 t0 17.0 91.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.7 t0 61.74 106.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.853 HG23 ' O ' ' A' ' 70' ' ' LEU . 3.5 p -138.62 171.43 14.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 110.395 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.4 tttt -95.51 99.15 11.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.411 ' CD2' HD23 ' A' ' 23' ' ' LEU . 59.1 t80 -88.14 136.96 32.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 111.003 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 50.1 ttp180 -114.55 120.06 38.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.286 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 86.3 p -68.93 173.16 5.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.986 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -73.8 -10.9 60.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.602 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -90.81 -9.3 46.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 0.0 110.31 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 104.09 -23.97 30.59 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.481 1.113 . . . . 0.0 110.992 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -52.4 157.4 1.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 0.801 . . . . 0.0 110.302 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.6 p -127.54 147.98 50.33 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 110.367 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 51.1 m -154.33 164.87 37.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.115 . . . . 0.0 110.013 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -105.83 117.16 33.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 0.0 110.997 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.456 ' CG2' ' HG ' ' A' ' 23' ' ' LEU . 14.3 pt -114.87 133.12 62.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.55 158.06 15.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 110.272 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.821 HG12 HD23 ' A' ' 67' ' ' LEU . 2.2 t -127.3 120.14 54.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.166 . . . . 0.0 109.272 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.4 ' HA ' HD22 ' A' ' 67' ' ' LEU . 37.2 p90 -153.44 155.73 31.86 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 111.048 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.44 ' C ' HD23 ' A' ' 19' ' ' LEU . 18.3 Cg_endo -74.96 171.02 19.13 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.488 1.783 . . . . 0.0 110.978 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.713 ' CG ' HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.28 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.528 0.204 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.5 ptt180 -131.96 177.15 7.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.305 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.81 HG23 HG23 ' A' ' 55' ' ' VAL . 21.3 m -131.01 131.43 64.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.616 HD11 ' HG2' ' A' ' 90' ' ' GLU . 10.0 mt -89.9 124.25 34.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.687 HG13 ' HB ' ' A' ' 85' ' ' ILE . 10.3 t -112.71 139.49 37.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 58.2 m -148.71 130.14 14.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 110.031 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.579 ' C ' HG22 ' A' ' 85' ' ' ILE . . . 115.67 32.83 1.67 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.929 HD12 ' O ' ' A' ' 51' ' ' GLY . 4.7 mt -77.23 156.69 81.55 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.493 0.76 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 169.9 21.57 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.497 1.788 . . . . 0.0 110.97 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -12.84 21.47 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.556 1.819 . . . . 0.0 111.018 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.2 m -117.68 0.91 12.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.132 . . . . 0.0 110.029 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -62.81 161.57 32.04 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.53 1.144 . . . . 0.0 111.015 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.1 m -140.67 175.48 9.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 0.743 . . . . 0.0 109.986 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.532 ' CZ2' ' HG3' ' A' ' 30' ' ' GLN . 44.7 p-90 -84.81 -40.54 17.06 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.532 ' HG3' ' CZ2' ' A' ' 29' ' ' TRP . 39.9 mt-30 -49.68 -73.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.304 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.77 -39.4 25.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.26 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.825 HD23 ' C ' ' A' ' 32' ' ' LEU . 0.7 OUTLIER -56.67 -48.31 77.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.549 ' N ' HD23 ' A' ' 32' ' ' LEU . 0.4 OUTLIER -54.4 -60.71 2.98 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -42.88 -27.51 0.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.412 ' N ' ' C ' ' A' ' 33' ' ' LYS . 4.3 t60 -85.86 -56.39 3.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 109.626 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.719 ' HG3' HG21 ' A' ' 55' ' ' VAL . 25.1 mmm -55.61 -40.43 72.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 110.978 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.502 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 1.7 mmm180 -42.09 -25.84 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.34 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.485 ' C ' ' O ' ' A' ' 37' ' ' ARG . 4.7 mm-40 -31.46 -40.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.297 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 1.086 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . . . -59.66 -75.02 0.06 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -153.07 -103.22 0.23 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.463 1.102 . . . . 0.0 110.987 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -122.85 128.34 50.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 0.762 . . . . 0.0 109.292 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.539 HG11 HG12 ' A' ' 55' ' ' VAL . 6.9 t -94.93 126.03 47.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.354 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.561 ' HB2' HD21 ' A' ' 58' ' ' LEU . 8.4 t -91.2 -26.47 19.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 108.299 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -145.81 142.28 28.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 111.003 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -150.66 115.65 5.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -134.06 165.85 24.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.322 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.466 HG23 ' HB3' ' A' ' 29' ' ' TRP . 30.5 t -142.12 144.43 25.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -120.58 167.96 11.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 110.349 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.556 ' O ' ' CB ' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -62.22 169.22 2.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 109.336 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.556 ' CB ' ' O ' ' A' ' 49' ' ' LYS . 6.0 t0 87.05 -42.2 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.929 ' O ' HD12 ' A' ' 23' ' ' LEU . . . 132.6 -3.01 5.0 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.551 1.157 . . . . 0.0 110.954 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.27 154.55 41.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 0.771 . . . . 0.0 110.972 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -150.63 171.96 30.4 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.519 1.137 . . . . 0.0 110.999 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -149.38 143.67 25.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 0.785 . . . . 0.0 111.026 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.81 HG23 HG23 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -151.1 124.47 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -93.77 153.61 18.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.429 1.081 . . . . 0.0 110.319 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.757 ' CE1' ' HB3' ' A' ' 39' ' ' ALA . 14.3 m-85 -128.12 142.7 51.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.558 1.162 . . . . 0.0 110.97 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.561 HD21 ' HB2' ' A' ' 43' ' ' CYS . 1.6 mm? -82.37 -4.31 57.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -131.27 134.31 46.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.331 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.9 tttp -61.5 -57.29 12.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.565 1.166 . . . . 0.0 109.315 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -44.18 -52.76 7.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.284 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.544 ' HB3' ' HB1' ' A' ' 39' ' ' ALA . 76.0 m-20 -44.44 -50.49 9.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 109.336 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.412 ' HA ' ' CD2' ' A' ' 57' ' ' TYR . 14.5 ttp -48.33 -60.98 2.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.997 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.527 ' HA ' HD12 ' A' ' 67' ' ' LEU . 19.0 mt-10 -62.58 -43.94 97.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.319 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.571 ' CD1' ' HA ' ' A' ' 39' ' ' ALA . 17.0 t80 -50.75 -61.8 1.99 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.961 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 1.086 ' HB2' ' HB2' ' A' ' 39' ' ' ALA . . . -59.41 -38.1 79.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.707 HD23 HG12 ' A' ' 87' ' ' VAL . 16.4 mt -52.73 -54.54 32.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.269 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.446 ' O ' ' C ' ' A' ' 69' ' ' LYS . 17.8 mmt180 -73.5 -67.38 0.59 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -36.24 -59.87 0.6 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.289 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.839 ' O ' HG23 ' A' ' 73' ' ' THR . 20.1 mt -66.21 -62.5 1.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.637 ' C ' ' O ' ' A' ' 70' ' ' LEU . 33.7 t70 18.14 89.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.556 ' OD1' ' CE2' ' A' ' 84' ' ' TYR . 5.6 t70 61.48 102.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 109.331 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.839 HG23 ' O ' ' A' ' 70' ' ' LEU . 3.3 p -132.17 -179.39 5.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 110.413 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.1 tttt -107.42 98.7 8.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.45 ' CE1' ' HA ' ' A' ' 32' ' ' LEU . 49.6 t80 -90.43 127.44 36.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.961 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.7 ttp180 -96.6 121.85 38.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 110.321 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 87.0 p -69.76 165.36 21.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 110.007 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.54 -12.87 61.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.582 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -96.59 -6.48 36.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.32 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 108.74 -40.68 2.46 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.471 1.107 . . . . 0.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -41.33 151.45 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 0.752 . . . . 0.0 110.286 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 31.8 p -130.33 148.91 52.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.423 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 11.7 m -148.91 165.37 31.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.979 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.556 ' CE2' ' OD1' ' A' ' 72' ' ' ASP . 0.1 OUTLIER -103.1 108.87 20.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 110.98 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.687 ' HB ' HG13 ' A' ' 20' ' ' VAL . 4.1 pt -105.92 130.03 58.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.67 149.98 21.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 110.314 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.719 HG21 ' HB2' ' A' ' 70' ' ' LEU . 1.8 t -116.77 114.92 47.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.436 ' HA ' HD22 ' A' ' 67' ' ' LEU . 14.2 p90 -145.81 156.87 51.81 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.986 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 177.33 8.72 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.483 1.781 . . . . 0.0 110.971 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.616 ' HG2' HD11 ' A' ' 19' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.326 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.549 ' CE2' ' HB2' ' A' ' 60' ' ' LYS . 26.0 m-85 . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.474 0.178 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.449 ' HD2' ' CD2' ' A' ' 19' ' ' LEU . 0.3 OUTLIER -125.73 176.7 6.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 110.286 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.909 HG23 HG23 ' A' ' 55' ' ' VAL . 17.0 m -133.9 119.86 33.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 0.0 109.276 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.461 HD11 ' HB3' ' A' ' 90' ' ' GLU . 40.3 mt -84.09 128.05 34.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 65.2 t -115.88 141.49 33.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 109.333 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.505 ' CB ' ' SD ' ' A' ' 52' ' ' MET . 51.9 p -143.8 154.52 43.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.023 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.888 ' O ' HG22 ' A' ' 85' ' ' ILE . . . 79.0 60.99 2.45 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.499 1.124 . . . . 0.0 110.979 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.467 HD23 ' CD2' ' A' ' 75' ' ' PHE . 3.9 mt -106.24 158.96 31.37 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.473 0.749 . . . . 0.0 109.3 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 171.36 18.47 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.526 1.803 . . . . 0.0 110.934 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -20.1 17.16 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.531 1.806 . . . . 0.0 111.054 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.402 ' HB2' ' CB ' ' A' ' 77' ' ' SER . 1.2 m -99.93 -14.97 18.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 110.04 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -48.92 134.07 22.56 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.523 1.14 . . . . 0.0 110.993 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.7 m -123.26 169.71 11.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 0.754 . . . . 0.0 109.995 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.613 ' CE3' ' N ' ' A' ' 30' ' ' GLN . 29.4 p-90 -71.6 -39.52 70.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 108.005 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.613 ' N ' ' CE3' ' A' ' 29' ' ' TRP . 1.4 tm0? -50.95 -73.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 110.251 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -50.09 -44.57 52.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.709 HD23 ' C ' ' A' ' 32' ' ' LEU . 3.1 tt -53.01 -51.66 60.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 109.325 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.516 ' O ' ' N ' ' A' ' 36' ' ' MET . 15.7 ttpt -58.11 -65.63 0.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.446 ' OD1' ' NE2' ' A' ' 30' ' ' GLN . 1.0 OUTLIER -39.86 -29.66 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.436 ' N ' ' O ' ' A' ' 33' ' ' LYS . 16.7 t-80 -82.66 -46.02 13.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.621 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.794 ' HG3' HG21 ' A' ' 55' ' ' VAL . 23.4 mmm -64.43 -39.21 93.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.98 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.486 ' O ' ' C ' ' A' ' 38' ' ' GLU . 5.0 mtm105 -42.47 -25.59 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.306 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.486 ' C ' ' O ' ' A' ' 37' ' ' ARG . 3.7 mm-40 -31.05 -40.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 110.265 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 1.009 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . . . -66.38 -81.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -148.74 -130.09 1.88 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.537 1.148 . . . . 0.0 111.027 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -88.49 136.86 32.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 0.745 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.8 t -106.77 117.06 51.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.282 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.444 ' HB2' HD21 ' A' ' 58' ' ' LEU . 43.0 t -92.42 -25.52 18.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 108.331 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.513 ' CD1' ' CE ' ' A' ' 54' ' ' MET . 6.6 t80 -127.88 132.81 49.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.127 . . . . 0.0 110.959 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -148.2 114.71 5.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -144.65 163.28 34.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.473 HG12 ' HB3' ' A' ' 29' ' ' TRP . 5.7 p -140.56 139.08 35.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 109.267 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 58.1 mt-30 -108.99 170.16 8.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.269 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.95 -174.26 1.18 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.158 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.4 t0 72.83 -59.44 0.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.277 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.42 ' O ' ' N ' ' A' ' 22' ' ' GLY . . . 149.15 43.98 0.03 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.452 1.095 . . . . 0.0 111.002 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.505 ' SD ' ' CB ' ' A' ' 21' ' ' SER . 26.0 mmm -116.98 171.01 8.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 0.75 . . . . 0.0 110.996 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -157.13 167.97 33.95 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.457 1.098 . . . . 0.0 111.016 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.513 ' CE ' ' CD1' ' A' ' 44' ' ' TYR . 0.0 OUTLIER -152.17 137.39 17.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 0.793 . . . . 0.0 110.961 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.909 HG23 HG23 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -147.9 148.79 15.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.577 1.173 . . . . 0.0 109.316 179.939 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.442 ' HB2' ' CB ' ' A' ' 44' ' ' TYR . 2.4 mm-40 -115.22 164.21 14.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.664 ' CE1' ' HB3' ' A' ' 39' ' ' ALA . 22.3 m-85 -138.84 143.89 39.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 111.019 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.445 HD22 ' N ' ' A' ' 58' ' ' LEU . 1.4 mm? -86.66 7.01 28.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -141.86 132.29 25.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.16 . . . . 0.0 110.297 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.549 ' HB2' ' CE2' ' A' ' 16' ' ' PHE . 12.8 tttt -58.46 -53.67 55.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.238 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -47.61 -54.02 13.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.334 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.404 ' O ' ' HB3' ' A' ' 65' ' ' TYR . 84.8 m-20 -43.09 -51.79 5.67 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 109.344 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.482 ' HG3' HG13 ' A' ' 18' ' ' VAL . 20.1 ttp -51.5 -64.18 0.89 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 111.037 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -55.72 -46.04 77.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.547 ' CD1' ' HA ' ' A' ' 39' ' ' ALA . 24.5 t80 -50.51 -64.88 0.67 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 1.009 ' HB2' ' HB2' ' A' ' 39' ' ' ALA . . . -58.16 -38.57 76.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.971 HD23 HG12 ' A' ' 87' ' ' VAL . 18.7 mt -51.13 -57.51 8.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.546 ' O ' ' CB ' ' A' ' 71' ' ' ASP . 4.5 mmp_? -71.65 -66.87 0.58 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 68' ' ' ARG . 0.2 OUTLIER -36.65 -62.81 0.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.778 ' HB2' HG21 ' A' ' 87' ' ' VAL . 30.6 mt -60.68 -50.24 74.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.682 ' C ' ' O ' ' A' ' 70' ' ' LEU . 27.0 t0 -9.49 106.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 14.5 t70 60.84 103.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.339 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.645 HG23 ' O ' ' A' ' 70' ' ' LEU . 0.2 OUTLIER -147.43 175.33 10.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 110.402 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.2 tttt -108.07 98.66 8.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.467 ' CD2' HD23 ' A' ' 23' ' ' LEU . 33.2 t80 -83.82 134.82 34.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 111.015 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.3 ttp180 -108.4 112.97 25.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.275 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.402 ' CB ' ' HB2' ' A' ' 26' ' ' SER . 10.1 p -62.38 168.22 3.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.01 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 2.4 p-80 -70.21 -10.77 59.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.555 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -89.68 -1.33 57.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.312 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 95.23 -23.21 34.54 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.478 1.111 . . . . 0.0 111.023 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -58.72 156.18 11.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 0.753 . . . . 0.0 110.319 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.2 p -130.24 146.52 51.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 110.404 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 18.7 m -151.61 166.73 30.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.063 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -100.4 127.19 46.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.996 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.888 HG22 ' O ' ' A' ' 22' ' ' GLY . 45.4 pt -115.77 -173.66 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.75 132.74 18.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.12 . . . . 0.0 110.277 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.971 HG12 HD23 ' A' ' 67' ' ' LEU . 2.3 t -105.73 121.06 57.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.449 ' CD1' ' O ' ' A' ' 19' ' ' LEU . 22.4 p90 -147.59 158.31 43.39 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 111.013 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -168.56 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.484 1.781 . . . . 0.0 111.003 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.461 ' HB3' HD11 ' A' ' 19' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 110.303 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.428 ' HA ' ' SD ' ' A' ' 63' ' ' MET . 11.8 m-85 . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.521 0.2 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.535 ' HD2' HD11 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -139.85 177.86 7.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.276 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.771 ' CG2' HG23 ' A' ' 55' ' ' VAL . 34.5 m -136.95 132.75 47.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.6 HD21 ' HB2' ' A' ' 90' ' ' GLU . 1.6 mm? -92.84 118.86 31.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.42 1.075 . . . . 0.0 109.29 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.608 HG13 ' HB ' ' A' ' 85' ' ' ILE . 10.0 t -99.12 136.49 29.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 75.2 m -145.84 135.81 23.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.098 . . . . 0.0 110.029 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 108.63 38.16 1.95 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.532 1.145 . . . . 0.0 110.968 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.564 HD23 ' CD2' ' A' ' 75' ' ' PHE . 2.3 mt -88.05 160.46 46.2 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.53 0.782 . . . . 0.0 109.278 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.476 ' HG2' ' CA ' ' A' ' 27' ' ' GLY . 18.4 Cg_endo -74.99 173.72 14.02 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.496 1.788 . . . . 0.0 110.998 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -21.91 15.5 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.537 1.809 . . . . 0.0 111.002 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.406 ' O ' ' O ' ' A' ' 27' ' ' GLY . 38.5 m -108.22 -13.26 14.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.983 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.476 ' CA ' ' HG2' ' A' ' 24' ' ' PRO . . . -40.07 161.89 0.01 OUTLIER Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.577 1.173 . . . . 0.0 111.01 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.9 p -136.79 177.84 7.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 0.747 . . . . 0.0 109.965 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.605 ' CH2' ' NE2' ' A' ' 30' ' ' GLN . 59.8 p-90 -92.94 -41.01 10.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 108.039 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.605 ' NE2' ' CH2' ' A' ' 29' ' ' TRP . 11.8 mm-40 -51.4 -61.6 2.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.281 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.403 ' HB3' ' CZ ' ' A' ' 75' ' ' PHE . 0.3 OUTLIER -58.02 -40.0 79.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.812 HD23 ' C ' ' A' ' 32' ' ' LEU . 0.6 OUTLIER -56.74 -51.02 70.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.643 ' N ' HD23 ' A' ' 32' ' ' LEU . 1.6 ttpt -53.09 -56.16 18.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.274 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -45.17 -25.82 0.4 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.403 ' N ' ' C ' ' A' ' 33' ' ' LYS . 6.5 t60 -87.94 -52.33 5.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.103 . . . . 0.0 109.56 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.716 ' HG3' HG21 ' A' ' 55' ' ' VAL . 28.5 mmm -58.62 -39.57 80.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 111.019 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.493 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 6.1 mtm180 -42.01 -26.02 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.483 ' C ' ' O ' ' A' ' 37' ' ' ARG . 0.4 OUTLIER -31.64 -40.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.277 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 1.008 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . . . -66.3 -80.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -146.31 -130.17 2.11 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.515 1.134 . . . . 0.0 110.952 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -91.85 135.87 33.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 0.786 . . . . 0.0 109.296 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.534 HG11 HG12 ' A' ' 55' ' ' VAL . 3.6 t -107.98 116.33 51.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.564 1.165 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 31.7 t -94.6 -29.03 15.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.549 1.155 . . . . 0.0 108.319 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.724 ' CD1' ' HE2' ' A' ' 54' ' ' MET . 7.3 t80 -117.89 129.51 55.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -146.73 114.77 6.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -145.51 155.22 42.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.554 HG12 ' HB3' ' A' ' 29' ' ' TRP . 7.7 p -136.94 139.1 45.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -110.33 169.94 8.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.34 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.481 ' O ' ' CB ' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -68.97 174.77 4.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.481 ' CB ' ' O ' ' A' ' 49' ' ' LYS . 1.2 t70 80.48 -58.14 0.32 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 147.36 44.69 0.03 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.545 1.153 . . . . 0.0 110.996 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.406 ' O ' HG23 ' A' ' 47' ' ' VAL . 1.1 mtt -111.7 163.53 14.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 0.773 . . . . 0.0 110.971 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -152.61 164.85 30.82 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.521 1.138 . . . . 0.0 111.017 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.724 ' HE2' ' CD1' ' A' ' 44' ' ' TYR . 1.6 ttp -152.7 123.14 7.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 0.769 . . . . 0.0 111.027 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.771 HG23 ' CG2' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -134.39 139.54 47.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 109.338 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.469 ' HG3' ' CE ' ' A' ' 54' ' ' MET . 10.7 mt-10 -112.73 142.54 45.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.275 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.899 ' CE1' ' HB3' ' A' ' 39' ' ' ALA . 45.7 m-85 -114.46 141.24 47.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 110.985 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.551 HD22 ' N ' ' A' ' 58' ' ' LEU . 1.9 mm? -80.53 2.14 26.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.26 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -137.95 132.29 32.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.306 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 30.7 tttt -57.85 -53.44 58.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -49.5 -51.2 37.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.286 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -46.5 -44.44 17.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.466 ' HG2' ' CD1' ' A' ' 67' ' ' LEU . 13.0 ttp -56.91 -63.68 1.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.445 ' HA ' HD12 ' A' ' 67' ' ' LEU . 15.7 mt-10 -54.79 -43.94 73.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.292 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.574 ' CD1' ' HA ' ' A' ' 39' ' ' ALA . 31.5 t80 -50.71 -67.68 0.23 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.127 . . . . 0.0 111.006 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 1.008 ' HB2' ' HB2' ' A' ' 39' ' ' ALA . . . -56.51 -38.08 71.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.724 HD23 HG12 ' A' ' 87' ' ' VAL . 20.6 mt -50.93 -58.57 5.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.567 1.167 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.462 ' O ' ' C ' ' A' ' 69' ' ' LYS . 0.1 OUTLIER -72.35 -66.14 0.69 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 110.285 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.462 ' C ' ' O ' ' A' ' 68' ' ' ARG . 1.7 mptp? -35.49 -61.66 0.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.164 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.854 ' HB2' HG21 ' A' ' 87' ' ' VAL . 21.8 mt -65.48 -62.48 1.5 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.638 ' C ' ' O ' ' A' ' 70' ' ' LEU . 67.3 t0 16.69 76.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.435 ' CB ' ' O ' ' A' ' 71' ' ' ASP . 8.3 t70 77.23 104.49 0.07 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.768 HG23 ' O ' ' A' ' 70' ' ' LEU . 22.7 p -140.88 166.12 25.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.357 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.9 tttt -93.11 99.44 12.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.564 ' CD2' HD23 ' A' ' 23' ' ' LEU . 18.9 t80 -90.63 112.59 24.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.536 1.148 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.579 ' CG ' HG22 ' A' ' 82' ' ' THR . 10.7 ttp180 -97.65 110.14 22.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 110.271 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.7 p -67.64 175.47 2.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.958 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 4.6 p-80 -72.29 -12.08 60.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 0.0 109.621 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -85.9 0.8 52.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.374 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 86.6 -16.49 45.18 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.501 1.125 . . . . 0.0 110.974 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -67.72 144.25 55.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 0.762 . . . . 0.0 110.337 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.579 HG22 ' CG ' ' A' ' 76' ' ' ARG . 65.0 p -126.99 135.38 50.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.433 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 21.1 m -140.27 146.97 39.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.004 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -81.65 111.95 18.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.961 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.608 ' HB ' HG13 ' A' ' 20' ' ' VAL . 13.3 pt -108.62 133.34 53.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.14 153.45 17.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 110.255 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.854 HG21 ' HB2' ' A' ' 70' ' ' LEU . 1.6 t -122.37 119.38 58.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.088 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.541 ' HA ' HD22 ' A' ' 67' ' ' LEU . 40.6 p90 -153.39 154.52 30.72 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 111.024 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.426 ' C ' HD23 ' A' ' 19' ' ' LEU . 18.2 Cg_endo -75.03 174.06 13.45 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.514 1.797 . . . . 0.0 110.985 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.6 ' HB2' HD21 ' A' ' 19' ' ' LEU . 13.2 tt0 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 110.283 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.512 ' CE2' ' HB2' ' A' ' 60' ' ' LYS . 27.2 m-85 . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.46 0.171 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.29 176.96 6.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.317 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.703 ' CG2' HG23 ' A' ' 55' ' ' VAL . 24.1 m -133.13 133.63 58.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.776 HD11 ' HG2' ' A' ' 90' ' ' GLU . 13.2 mt -91.78 120.87 32.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.337 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 54.4 t -101.29 141.71 17.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.401 ' O ' ' HA ' ' A' ' 85' ' ' ILE . 93.1 p -149.08 150.21 32.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.009 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.481 ' O ' HG22 ' A' ' 85' ' ' ILE . . . 84.33 44.93 6.38 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.512 1.132 . . . . 0.0 110.966 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.578 HD23 HG21 ' A' ' 85' ' ' ILE . 9.1 mt -91.31 158.27 41.29 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.508 0.769 . . . . 0.0 109.255 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 173.03 15.22 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.496 1.787 . . . . 0.0 110.959 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -20.95 16.29 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.522 1.801 . . . . 0.0 110.974 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.461 ' CB ' ' HB2' ' A' ' 79' ' ' GLU . 1.5 m -104.56 -11.53 16.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.976 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -50.8 128.47 29.35 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.525 1.14 . . . . 0.0 111.02 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 74.4 m -114.73 -179.03 3.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 0.779 . . . . 0.0 109.989 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.532 ' CZ3' ' HG2' ' A' ' 30' ' ' GLN . 55.2 p-90 -83.3 -39.56 20.64 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.532 ' HG2' ' CZ3' ' A' ' 29' ' ' TRP . 71.6 mt-30 -48.93 -73.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 110.311 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -49.32 -40.94 36.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.344 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.611 HD23 ' C ' ' A' ' 32' ' ' LEU . 5.7 tt -55.81 -55.11 36.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.118 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.474 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 2.1 tttm -53.42 -64.01 0.96 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.098 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -41.17 -28.79 0.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.253 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.422 ' N ' ' O ' ' A' ' 33' ' ' LYS . 6.2 t60 -85.38 -56.79 3.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.619 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.69 ' HG3' HG21 ' A' ' 55' ' ' VAL . 26.2 mmm -54.76 -39.62 68.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.979 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.483 ' O ' ' C ' ' A' ' 38' ' ' GLU . 5.8 mmm180 -43.25 -25.09 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.292 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.483 ' C ' ' O ' ' A' ' 37' ' ' ARG . 1.0 OUTLIER -31.68 -40.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.304 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 1.084 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . . . -66.98 -81.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.307 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -145.84 -136.1 2.89 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.503 1.127 . . . . 0.0 111.042 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -88.34 127.03 35.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 0.764 . . . . 0.0 109.257 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 22.4 t -92.22 111.67 24.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.427 ' HB3' HD21 ' A' ' 58' ' ' LEU . 16.4 p -86.43 -26.07 24.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 108.31 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -129.45 133.72 47.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.984 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -146.18 112.33 5.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -145.22 134.53 22.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.0 p -103.38 152.26 6.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.32 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -118.52 155.36 30.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.281 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.433 ' O ' ' CB ' ' A' ' 50' ' ' ASP . 0.1 OUTLIER -68.66 173.55 5.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.329 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.433 ' CB ' ' O ' ' A' ' 49' ' ' LYS . 8.7 t70 76.85 -56.92 0.54 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.463 ' O ' ' N ' ' A' ' 22' ' ' GLY . . . 153.08 43.98 0.02 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.454 1.096 . . . . 0.0 110.999 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -120.8 158.46 27.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 0.786 . . . . 0.0 111.002 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -145.35 167.44 27.44 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.525 1.14 . . . . 0.0 111.042 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.67 ' HE1' ' HG3' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -152.45 115.83 4.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 0.745 . . . . 0.0 111.023 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.703 HG23 ' CG2' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -130.59 147.99 33.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.67 ' HG3' ' HE1' ' A' ' 54' ' ' MET . 2.6 mt-10 -115.1 167.15 11.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.328 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.728 ' CE1' ' HB3' ' A' ' 39' ' ' ALA . 26.6 m-85 -139.34 147.97 42.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 111.024 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.427 HD21 ' HB3' ' A' ' 43' ' ' CYS . 23.9 mt -90.04 10.21 25.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -143.96 135.56 26.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 110.284 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.512 ' HB2' ' CE2' ' A' ' 16' ' ' PHE . 79.5 tttt -60.27 -55.86 28.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -48.9 -50.89 32.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.287 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -44.34 -46.26 9.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.427 ' HA ' ' CD2' ' A' ' 57' ' ' TYR . 17.7 ttp -55.26 -63.89 1.01 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.434 ' HA ' HD12 ' A' ' 67' ' ' LEU . 16.6 mt-10 -57.16 -43.3 82.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.274 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.564 ' CD1' ' HA ' ' A' ' 39' ' ' ALA . 30.8 t80 -50.16 -66.34 0.41 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 110.999 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 1.084 ' HB2' ' HB2' ' A' ' 39' ' ' ALA . . . -57.34 -38.74 74.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.828 HD23 HG12 ' A' ' 87' ' ' VAL . 20.1 mt -50.3 -58.49 5.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.46 ' O ' ' C ' ' A' ' 69' ' ' LYS . 21.0 mmt85 -72.73 -66.62 0.64 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.097 . . . . 0.0 110.334 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 68' ' ' ARG . 0.2 OUTLIER -35.22 -62.06 0.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.709 ' CD1' ' HB1' ' A' ' 66' ' ' ALA . 22.2 mt -64.15 -59.12 4.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.693 ' C ' ' O ' ' A' ' 70' ' ' LEU . 55.4 t0 10.17 93.45 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 20.0 t70 61.2 110.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.606 HG23 ' O ' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -152.48 157.34 41.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.386 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.5 ttpt -80.88 98.94 8.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -86.91 122.18 30.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 111.028 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.8 ttt-85 -88.28 114.22 24.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 110.336 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 60.4 p -69.81 163.27 26.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.994 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.18 -17.55 62.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.618 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.461 ' HB2' ' CB ' ' A' ' 26' ' ' SER . 3.2 mm-40 -93.56 6.05 49.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.268 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 91.64 -37.93 3.3 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.5 1.125 . . . . 0.0 111.019 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -46.27 132.03 10.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 0.737 . . . . 0.0 110.268 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 32.9 p -109.38 149.86 28.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.44 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 53.3 m -155.33 167.35 30.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.973 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -99.49 126.2 45.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.954 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.578 HG21 HD23 ' A' ' 23' ' ' LEU . 13.6 pt -121.46 133.22 68.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.327 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.82 147.6 23.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.333 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.828 HG12 HD23 ' A' ' 67' ' ' LEU . 1.9 t -120.47 114.23 43.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.343 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.575 ' CE1' ' O ' ' A' ' 19' ' ' LEU . 9.4 p90 -141.75 157.5 64.67 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 175.05 11.74 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.47 1.774 . . . . 0.0 111.02 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.776 ' HG2' HD11 ' A' ' 19' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.284 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.466 0.175 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.443 ' N ' ' SD ' ' A' ' 63' ' ' MET . 1.7 ptt-85 -141.33 174.71 10.29 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.135 . . . . 0.0 110.326 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.831 HG23 HG23 ' A' ' 55' ' ' VAL . 36.0 m -131.38 130.81 63.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.09 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.591 ' HB2' ' CE2' ' A' ' 88' ' ' TYR . 0.9 OUTLIER -93.14 116.14 28.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.665 HG13 ' HB ' ' A' ' 85' ' ' ILE . 57.9 t -96.54 139.03 20.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.0 m -143.63 143.21 31.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.994 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 51' ' ' GLY . . . 96.96 41.78 3.45 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.494 1.121 . . . . 0.0 111.031 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.579 HD23 ' CD2' ' A' ' 75' ' ' PHE . 6.7 mt -89.34 158.33 46.32 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.523 0.778 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 171.6 18.0 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.508 1.794 . . . . 0.0 111.014 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -24.24 12.98 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.456 1.766 . . . . 0.0 110.983 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.3 m -105.3 -4.82 21.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.019 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -60.5 145.84 46.9 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.488 1.117 . . . . 0.0 110.998 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 45.4 m -122.77 -177.5 3.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 0.784 . . . . 0.0 109.969 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.707 ' HB3' HG22 ' A' ' 47' ' ' VAL . 54.7 p-90 -90.54 -35.87 14.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.14 . . . . 0.0 108.034 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.571 ' HG2' ' CZ3' ' A' ' 29' ' ' TRP . 46.3 mt-30 -49.3 -73.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.34 -40.34 34.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.799 HD23 ' C ' ' A' ' 32' ' ' LEU . 0.8 OUTLIER -55.29 -48.91 73.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.535 ' N ' HD23 ' A' ' 32' ' ' LEU . 19.3 ttpt -55.71 -60.98 2.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -42.69 -27.25 0.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.415 ' N ' ' C ' ' A' ' 33' ' ' LYS . 6.1 t-80 -86.37 -57.36 3.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.63 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.738 ' HG3' HG21 ' A' ' 55' ' ' VAL . 28.0 mmm -54.45 -38.95 66.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 111.011 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.485 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 8.3 mmm-85 -42.25 -26.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.312 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.481 ' C ' ' O ' ' A' ' 37' ' ' ARG . 4.5 mm-40 -31.6 -40.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.31 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 1.034 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . . . -64.8 -81.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -146.21 -127.1 1.83 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.515 1.135 . . . . 0.0 110.992 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -97.0 126.16 41.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 0.779 . . . . 0.0 109.268 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.521 HG11 HG12 ' A' ' 55' ' ' VAL . 9.3 t -94.1 114.07 30.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 45.6 t -86.77 -31.02 21.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 108.283 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.549 ' CG ' ' OE2' ' A' ' 56' ' ' GLU . 31.2 t80 -126.29 137.69 53.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 111.0 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -152.03 114.08 4.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.552 1.157 . . . . 0.0 109.319 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -140.21 162.95 34.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.707 HG22 ' HB3' ' A' ' 29' ' ' TRP . 0.9 OUTLIER -134.4 152.54 33.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.259 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -121.89 169.99 10.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 110.314 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.411 ' O ' ' CB ' ' A' ' 50' ' ' ASP . 1.5 tttm -73.55 175.01 7.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.411 ' CB ' ' O ' ' A' ' 49' ' ' LYS . 11.2 t0 75.74 -57.45 0.57 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.336 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 22' ' ' GLY . . . 151.17 44.18 0.02 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.442 1.089 . . . . 0.0 110.97 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -113.11 160.9 17.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 0.756 . . . . 0.0 110.96 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -155.53 167.48 33.04 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.467 1.104 . . . . 0.0 111.021 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.44 ' HE3' ' HD3' ' A' ' 17' ' ' ARG . 2.7 ttp -153.19 129.89 10.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 0.775 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.831 HG23 HG23 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -138.24 133.17 43.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.269 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.549 ' OE2' ' CG ' ' A' ' 44' ' ' TYR . 32.5 mt-10 -105.84 148.35 27.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.3 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.925 ' CE1' ' HB3' ' A' ' 39' ' ' ALA . 41.9 m-85 -119.92 142.11 49.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 111.022 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 21.7 mt -75.96 -17.62 59.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.432 ' HB3' ' NH1' ' A' ' 59' ' ' ARG . 6.1 mmm180 -118.17 139.01 51.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 110.265 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 40.7 tttt -61.29 -54.27 46.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.335 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -47.75 -53.69 14.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.287 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.401 ' O ' ' HB3' ' A' ' 65' ' ' TYR . 78.2 m-20 -40.19 -51.61 2.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.495 ' HA ' ' CD2' ' A' ' 57' ' ' TYR . 11.1 ttp -51.53 -63.78 1.02 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 111.006 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.475 ' HA ' HD12 ' A' ' 67' ' ' LEU . 21.6 mt-10 -56.57 -45.56 81.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.311 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.574 ' CD1' ' HA ' ' A' ' 39' ' ' ALA . 24.3 t80 -50.55 -64.53 0.78 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.977 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 1.034 ' HB2' ' HB2' ' A' ' 39' ' ' ALA . . . -58.49 -37.96 76.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.917 HD23 HG12 ' A' ' 87' ' ' VAL . 18.5 mt -51.54 -57.59 8.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.351 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.453 ' O ' ' C ' ' A' ' 69' ' ' LYS . 20.8 mmt180 -72.5 -66.26 0.68 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 110.303 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 68' ' ' ARG . 2.8 mptp? -35.83 -61.1 0.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.678 ' O ' HG23 ' A' ' 73' ' ' THR . 20.4 mt -65.86 -63.01 1.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.63 ' C ' ' O ' ' A' ' 70' ' ' LEU . 31.8 t70 18.21 87.94 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.578 ' OD1' ' CD2' ' A' ' 84' ' ' TYR . 31.1 t0 68.27 98.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.558 1.162 . . . . 0.0 109.286 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.678 HG23 ' O ' ' A' ' 70' ' ' LEU . 17.9 p -131.59 163.74 27.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 110.436 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.8 tttt -92.98 100.21 12.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.298 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.579 ' CD2' HD23 ' A' ' 23' ' ' LEU . 38.5 t80 -87.1 126.56 34.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.153 . . . . 0.0 110.955 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 31.9 ttp180 -96.44 114.94 26.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.297 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 31.8 p -71.61 157.83 37.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.987 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -58.4 -18.36 27.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.632 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -92.15 2.85 56.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 110.286 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 93.33 -38.36 3.17 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.515 1.134 . . . . 0.0 110.995 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -42.98 128.66 4.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 0.769 . . . . 0.0 110.285 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.9 p -106.95 147.36 29.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.373 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 32.8 m -151.57 158.07 43.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.003 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.578 ' CD2' ' OD1' ' A' ' 72' ' ' ASP . 0.2 OUTLIER -93.46 119.0 32.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.425 1.078 . . . . 0.0 110.966 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.665 ' HB ' HG13 ' A' ' 20' ' ' VAL . 5.3 pt -112.34 129.88 67.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.89 151.0 20.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.301 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.917 HG12 HD23 ' A' ' 67' ' ' LEU . 2.3 t -121.28 121.81 65.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.591 ' CE2' ' HB2' ' A' ' 19' ' ' LEU . 33.7 p90 -151.92 156.99 34.46 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 110.984 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.46 ' C ' HD23 ' A' ' 19' ' ' LEU . 18.2 Cg_endo -75.0 175.05 11.76 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.493 1.786 . . . . 0.0 111.008 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.417 ' CB ' HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 120.497 0.189 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.1 ptp85 -124.01 170.7 10.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.298 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.998 HG23 HG23 ' A' ' 55' ' ' VAL . 18.2 m -133.93 122.11 41.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.832 HD11 ' HG2' ' A' ' 90' ' ' GLU . 10.8 mt -82.11 125.99 31.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 50.5 t -111.14 136.49 47.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.339 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 57.1 p -142.73 152.38 42.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.01 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.544 ' C ' HG22 ' A' ' 85' ' ' ILE . . . 87.9 41.65 6.26 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.561 1.163 . . . . 0.0 110.999 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.484 HD23 ' CD2' ' A' ' 75' ' ' PHE . 5.2 mt -88.98 156.9 49.1 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.486 0.757 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 171.66 17.89 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.512 1.796 . . . . 0.0 110.936 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -17.52 19.45 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.478 1.778 . . . . 0.0 111.0 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 45.6 m -106.72 -14.66 14.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 110.05 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -39.24 148.15 0.13 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.511 1.132 . . . . 0.0 111.015 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.2 m -132.04 172.48 12.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 0.773 . . . . 0.0 110.017 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.581 ' CE3' ' N ' ' A' ' 30' ' ' GLN . 31.6 p-90 -83.34 -39.13 21.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 108.014 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.581 ' N ' ' CE3' ' A' ' 29' ' ' TRP . 0.2 OUTLIER -50.05 -71.08 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.336 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.89 -40.48 60.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 0.0 109.335 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.714 HD23 ' C ' ' A' ' 32' ' ' LEU . 3.0 tt -57.16 -51.97 67.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.518 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 13.4 tttt -54.49 -62.14 1.85 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -47.24 -23.39 0.54 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.42 ' N ' ' C ' ' A' ' 33' ' ' LYS . 5.6 t60 -86.82 -51.53 6.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.6 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.676 ' HG3' HG21 ' A' ' 55' ' ' VAL . 27.0 mmm -63.49 -41.01 98.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.135 . . . . 0.0 110.993 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.518 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 1.5 mmm180 -41.43 -26.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.496 ' C ' ' O ' ' A' ' 37' ' ' ARG . 2.9 mm-40 -30.98 -40.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.277 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 1.004 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . . . -63.99 -82.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -151.0 -133.06 2.0 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.506 1.129 . . . . 0.0 111.04 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.724 ' HB3' HD13 ' A' ' 58' ' ' LEU . 1.3 t70 -84.17 126.06 32.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 0.793 . . . . 0.0 109.299 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.415 HG11 ' HB2' ' A' ' 45' ' ' ALA . 73.1 t -86.3 125.26 40.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 6.3 t -90.23 -21.78 21.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 108.369 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.508 ' CD2' ' HE2' ' A' ' 54' ' ' MET . 76.0 t80 -154.69 145.67 22.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 111.016 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.415 ' HB2' HG11 ' A' ' 42' ' ' VAL . . . -152.39 117.89 5.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.401 ' HB2' ' CE2' ' A' ' 44' ' ' TYR . 1.1 t70 -147.85 160.65 42.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.123 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.5 p -135.6 145.0 32.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 109.312 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -119.25 169.89 9.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 110.285 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.409 ' O ' ' CB ' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -69.71 -177.7 1.31 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.276 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.409 ' CB ' ' O ' ' A' ' 49' ' ' LYS . 8.2 t70 75.51 -57.63 0.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.436 1.085 . . . . 0.0 109.331 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 22' ' ' GLY . . . 142.88 44.61 0.05 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.532 1.145 . . . . 0.0 111.007 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 6.7 mtt -125.92 158.48 35.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.442 0.731 . . . . 0.0 110.958 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -153.07 173.38 31.97 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.552 1.158 . . . . 0.0 110.992 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.508 ' HE2' ' CD2' ' A' ' 44' ' ' TYR . 4.0 ttp -152.08 136.8 17.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 0.78 . . . . 0.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.998 HG23 HG23 ' A' ' 18' ' ' VAL . 0.1 OUTLIER -137.97 142.38 36.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -120.26 139.53 52.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.318 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.505 ' CE1' ' HB3' ' A' ' 39' ' ' ALA . 40.8 m-85 -113.7 167.58 10.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 111.008 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.724 HD13 ' HB3' ' A' ' 41' ' ' ASP . 2.1 mp -94.66 -26.15 16.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.267 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.9 mmm-85 -112.59 140.74 47.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.329 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 65.5 tttt -59.88 -54.44 46.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.342 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -44.37 -54.14 6.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.258 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.408 ' O ' ' HB3' ' A' ' 65' ' ' TYR . 70.5 m-20 -40.48 -51.73 2.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 109.3 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.475 ' HG3' HG13 ' A' ' 18' ' ' VAL . 22.4 ttp -52.9 -65.34 0.58 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 111.035 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -53.84 -46.23 71.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.155 . . . . 0.0 110.289 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.59 ' CD1' ' HA ' ' A' ' 39' ' ' ALA . 25.1 t80 -50.21 -65.7 0.52 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 1.004 ' HB2' ' HB2' ' A' ' 39' ' ' ALA . . . -57.17 -38.71 74.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.85 HD23 HG12 ' A' ' 87' ' ' VAL . 20.5 mt -51.22 -56.79 11.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.465 ' O ' ' C ' ' A' ' 69' ' ' LYS . 2.4 mmt180 -73.1 -67.43 0.57 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.281 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.465 ' C ' ' O ' ' A' ' 68' ' ' ARG . 0.2 OUTLIER -34.92 -60.45 0.45 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.831 ' O ' HG23 ' A' ' 73' ' ' THR . 19.8 mt -66.13 -62.29 1.57 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.657 ' C ' ' O ' ' A' ' 70' ' ' LEU . 22.7 t0 15.89 89.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.453 ' N ' ' OD1' ' A' ' 72' ' ' ASP . 0.2 OUTLIER 65.52 101.17 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.439 1.087 . . . . 0.0 109.329 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.831 HG23 ' O ' ' A' ' 70' ' ' LEU . 6.1 p -133.83 170.59 15.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.424 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.3 tttt -96.34 99.56 11.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.484 ' CD2' HD23 ' A' ' 23' ' ' LEU . 40.8 t80 -88.56 133.32 34.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.988 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 13.2 ttp180 -112.13 115.5 28.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.307 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 92.8 p -67.89 174.28 3.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.005 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -74.23 -8.56 56.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.616 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -90.69 -5.37 55.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 110.3 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 98.23 -26.61 22.92 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.531 1.145 . . . . 0.0 111.02 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -53.99 156.32 3.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 0.749 . . . . 0.0 110.29 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.7 p -132.51 146.76 52.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 110.354 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 39.1 m -151.92 167.58 27.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 109.988 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -103.39 116.9 33.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.994 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.544 HG22 ' C ' ' A' ' 22' ' ' GLY . 11.6 pt -113.87 133.09 60.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.338 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.419 ' N ' ' HD3' ' A' ' 86' ' ' ARG . 0.0 OUTLIER -90.88 154.3 19.59 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.465 1.103 . . . . 0.0 110.301 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.85 HG12 HD23 ' A' ' 67' ' ' LEU . 1.8 t -123.11 113.55 38.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.133 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.49 ' CE2' ' HB2' ' A' ' 19' ' ' LEU . 8.7 p90 -139.68 157.17 70.53 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.991 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 167.19 27.6 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.506 1.793 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.832 ' HG2' HD11 ' A' ' 19' ' ' LEU . 1.6 tm-20 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.33 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 120.502 0.192 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 11.8 ptp180 -121.9 177.8 5.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 110.259 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.905 HG23 HG23 ' A' ' 55' ' ' VAL . 12.6 m -135.05 122.64 37.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.0 mt -82.25 128.98 34.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.272 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.636 HG13 ' HB ' ' A' ' 85' ' ' ILE . 2.6 t -120.47 145.47 26.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.6 147.44 27.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.017 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 99.57 27.8 7.84 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.501 1.125 . . . . 0.0 111.038 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.482 HD12 ' O ' ' A' ' 51' ' ' GLY . 9.8 mt -70.54 155.95 92.65 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.485 0.756 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.41 ' HG2' ' CA ' ' A' ' 27' ' ' GLY . 18.3 Cg_endo -74.99 172.56 16.11 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.487 1.783 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -14.2 21.3 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.466 1.772 . . . . 0.0 111.009 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.8 m -112.07 -22.67 10.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.989 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.41 ' CA ' ' HG2' ' A' ' 24' ' ' PRO . . . -39.89 148.96 0.15 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.457 1.098 . . . . 0.0 111.053 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 93.3 p -134.82 169.03 17.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 0.771 . . . . 0.0 109.978 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.603 ' HB3' HG23 ' A' ' 47' ' ' VAL . 32.0 p-90 -72.38 -38.1 68.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 108.009 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.549 ' N ' ' CE3' ' A' ' 29' ' ' TRP . 0.0 OUTLIER -54.29 -71.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.292 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.51 -33.61 45.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.742 HD23 ' C ' ' A' ' 32' ' ' LEU . 2.1 tt -61.76 -51.72 67.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.54 1.15 . . . . 0.0 109.261 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.489 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 17.5 ttpt -55.5 -59.98 4.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.263 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -40.36 -29.21 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 109.295 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.435 ' N ' ' O ' ' A' ' 33' ' ' LYS . 3.5 t-160 -85.16 -60.53 2.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.639 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.667 ' HG3' HG21 ' A' ' 55' ' ' VAL . 28.7 mmm -50.98 -37.68 46.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.998 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.489 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 6.9 mmm180 -43.84 -25.14 0.17 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.46 1.1 . . . . 0.0 110.253 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.478 ' C ' ' O ' ' A' ' 37' ' ' ARG . 5.8 mm-40 -31.92 -40.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.302 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 1.071 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . . . -60.38 -72.29 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -156.73 -111.32 0.34 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.499 1.124 . . . . 0.0 110.996 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -114.37 121.74 44.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 0.777 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.581 HG11 HG12 ' A' ' 55' ' ' VAL . 14.2 t -85.58 127.8 39.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.605 ' HB2' HD21 ' A' ' 58' ' ' LEU . 19.2 t -89.66 -34.14 16.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 108.314 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 58.6 t80 -143.84 142.75 31.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -148.13 119.99 8.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.416 1.072 . . . . 0.0 109.297 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -134.96 166.8 22.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.603 HG23 ' HB3' ' A' ' 29' ' ' TRP . 54.8 t -137.34 142.91 35.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -117.65 166.54 12.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.274 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.565 ' O ' ' CB ' ' A' ' 50' ' ' ASP . 48.6 pttt -66.14 165.73 13.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.565 ' CB ' ' O ' ' A' ' 49' ' ' LYS . 4.0 t70 88.12 -34.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.482 ' O ' HD12 ' A' ' 23' ' ' LEU . . . 125.89 5.95 6.14 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.479 1.112 . . . . 0.0 110.985 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.4 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER -74.05 157.72 35.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 0.754 . . . . 0.0 110.999 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -149.05 163.79 29.16 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.515 1.134 . . . . 0.0 111.044 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -148.14 138.11 22.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 0.77 . . . . 0.0 110.988 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.905 HG23 HG23 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -144.26 121.65 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -99.52 116.89 32.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.267 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.766 ' CE1' ' HB3' ' A' ' 39' ' ' ALA . 27.6 m-85 -86.02 176.43 8.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 111.032 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.605 HD21 ' HB2' ' A' ' 43' ' ' CYS . 13.5 mt -101.66 -24.43 14.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.16 . . . . 0.0 109.33 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -121.87 143.59 49.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 69.3 tttt -59.92 -54.64 43.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.273 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.15 -55.31 2.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.266 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.558 ' HB3' ' HB1' ' A' ' 39' ' ' ALA . 49.9 m-20 -43.01 -50.99 5.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.122 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.492 ' HG3' HG13 ' A' ' 18' ' ' VAL . 16.3 ttp -50.31 -65.67 0.52 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.974 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.424 ' HA ' HD12 ' A' ' 67' ' ' LEU . 17.6 mt-10 -56.74 -45.35 82.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.272 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.583 ' CD1' ' HA ' ' A' ' 39' ' ' ALA . 20.0 t80 -50.7 -63.41 1.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.984 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 1.071 ' HB2' ' HB2' ' A' ' 39' ' ' ALA . . . -59.37 -37.39 77.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.94 HD23 HG12 ' A' ' 87' ' ' VAL . 18.9 mt -52.2 -56.21 16.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.448 ' O ' ' C ' ' A' ' 69' ' ' LYS . 22.2 mmt180 -73.18 -66.3 0.7 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 110.315 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 68' ' ' ARG . 1.8 mptm? -36.5 -60.53 0.58 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.86 ' HB2' HG21 ' A' ' 87' ' ' VAL . 18.1 mt -65.98 -62.28 1.58 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.635 ' C ' ' O ' ' A' ' 70' ' ' LEU . 38.7 t70 17.7 79.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 18.9 t0 73.68 104.92 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.739 HG23 ' O ' ' A' ' 70' ' ' LEU . 16.0 p -138.38 169.33 17.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.443 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.2 ttmt -95.98 98.95 10.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -85.81 132.29 34.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 110.982 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.7 ttp180 -108.01 111.56 23.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 110.334 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 85.3 p -64.0 172.12 2.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.976 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -72.89 -13.55 61.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.604 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -92.63 -4.97 52.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 110.273 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 102.66 -34.3 5.85 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.557 1.161 . . . . 0.0 111.037 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -42.83 149.22 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.562 0.801 . . . . 0.0 110.281 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.0 p -128.38 146.46 50.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 110.426 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 35.5 m -152.94 161.06 43.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 110.019 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -100.09 109.89 22.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.963 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.636 ' HB ' HG13 ' A' ' 20' ' ' VAL . 6.7 pt -106.52 130.48 58.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.335 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.7 148.69 22.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.33 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.94 HG12 HD23 ' A' ' 67' ' ' LEU . 2.2 t -114.56 119.3 61.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 109.301 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.431 ' HA ' HD22 ' A' ' 67' ' ' LEU . 13.7 p90 -148.51 157.63 41.41 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.537 1.148 . . . . 0.0 110.982 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 179.74 5.78 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.535 1.808 . . . . 0.0 111.004 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 0.0 110.302 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.497 ' CE2' ' HB2' ' A' ' 60' ' ' LYS . 30.1 m-85 . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.538 0.209 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -132.61 177.96 7.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.871 HG23 HG23 ' A' ' 55' ' ' VAL . 30.1 m -133.32 118.51 31.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.465 ' O ' ' CD1' ' A' ' 88' ' ' TYR . 30.0 mt -82.67 126.43 32.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.57 HG12 HD21 ' A' ' 23' ' ' LEU . 84.3 t -117.23 139.83 42.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 86.9 p -146.78 127.41 14.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.991 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 130.0 -0.95 5.8 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.525 1.14 . . . . 0.0 111.055 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.812 HD13 HG21 ' A' ' 85' ' ' ILE . 3.8 mm? -40.67 155.24 0.2 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.524 0.779 . . . . 0.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.505 ' HG2' ' CA ' ' A' ' 27' ' ' GLY . 18.3 Cg_endo -74.96 174.36 12.9 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.466 1.772 . . . . 0.0 111.029 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -18.08 19.07 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.518 1.799 . . . . 0.0 111.023 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 41.6 m -120.61 9.18 10.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 110.019 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.505 ' CA ' ' HG2' ' A' ' 24' ' ' PRO . . . -53.93 161.53 3.79 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.543 1.152 . . . . 0.0 110.999 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.5 m -143.03 147.17 34.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 0.759 . . . . 0.0 109.953 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.596 ' CE3' ' N ' ' A' ' 30' ' ' GLN . 53.8 p-90 -62.3 -49.08 77.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 108.023 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.596 ' N ' ' CE3' ' A' ' 29' ' ' TRP . 0.0 OUTLIER -42.56 -72.34 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.266 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.07 -47.31 68.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.747 HD12 HD11 ' A' ' 23' ' ' LEU . 3.5 tt -46.99 -53.59 12.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.659 ' HG3' HG11 ' A' ' 42' ' ' VAL . 16.1 ttpt -55.34 -60.19 3.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 33' ' ' LYS . 84.8 m-20 -36.8 -33.16 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.457 ' N ' ' O ' ' A' ' 33' ' ' LYS . 10.3 t-80 -80.8 -52.92 6.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.583 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.705 ' HG3' HG21 ' A' ' 55' ' ' VAL . 31.5 mmm -56.49 -40.3 74.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.51 ' HG2' HG21 ' A' ' 42' ' ' VAL . 10.4 mtm180 -40.41 -27.54 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.306 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.49 ' C ' ' O ' ' A' ' 37' ' ' ARG . 4.6 mm-40 -30.92 -40.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.293 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 1.054 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . . . -65.72 -78.93 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -150.95 -132.73 1.97 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.527 1.142 . . . . 0.0 111.011 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -90.19 123.18 33.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 0.79 . . . . 0.0 109.264 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.659 HG11 ' HG3' ' A' ' 33' ' ' LYS . 3.5 t -88.4 124.15 41.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.635 ' HB2' HD21 ' A' ' 58' ' ' LEU . 37.0 t -91.56 -29.02 17.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 108.245 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.564 ' CD1' ' HE2' ' A' ' 54' ' ' MET . 19.4 t80 -138.08 137.34 37.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 111.013 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.431 ' HB1' ' HB2' ' A' ' 33' ' ' LYS . . . -152.43 121.08 6.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.333 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -153.5 171.2 19.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.57 HG12 ' HB3' ' A' ' 29' ' ' TRP . 1.5 p -139.95 141.26 34.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -107.07 157.5 17.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.115 . . . . 0.0 110.305 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.4 ' O ' ' CB ' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -52.63 173.09 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.4 ' CB ' ' O ' ' A' ' 49' ' ' LYS . 0.9 OUTLIER 74.97 -57.04 0.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 109.307 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 148.31 44.01 0.03 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.53 1.144 . . . . 0.0 110.979 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.5 ' O ' HG23 ' A' ' 47' ' ' VAL . 0.4 OUTLIER -106.09 153.27 22.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 0.778 . . . . 0.0 110.995 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -143.44 156.46 26.57 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.526 1.141 . . . . 0.0 110.957 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.564 ' HE2' ' CD1' ' A' ' 44' ' ' TYR . 2.5 ttp -150.43 121.75 7.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 0.749 . . . . 0.0 110.984 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.871 HG23 HG23 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -132.28 137.23 54.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.459 ' HG3' ' CE ' ' A' ' 54' ' ' MET . 3.0 mt-10 -115.41 129.75 56.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.305 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.851 ' CE1' ' HB3' ' A' ' 39' ' ' ALA . 45.0 m-85 -98.78 160.24 14.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.635 HD21 ' HB2' ' A' ' 43' ' ' CYS . 18.3 mt -90.02 -19.62 24.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 21.4 mmt180 -118.68 137.54 53.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.152 . . . . 0.0 110.327 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.497 ' HB2' ' CE2' ' A' ' 16' ' ' PHE . 17.0 tttt -56.97 -53.1 61.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -45.98 -54.66 7.97 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.505 1.128 . . . . 0.0 110.287 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -41.34 -49.05 3.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.423 ' HG3' HG13 ' A' ' 18' ' ' VAL . 12.3 ttp -52.9 -68.63 0.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 111.002 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.432 ' HA ' HD12 ' A' ' 67' ' ' LEU . 13.5 mt-10 -53.93 -44.25 70.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 110.288 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.575 ' CD1' ' HA ' ' A' ' 39' ' ' ALA . 32.6 t80 -50.58 -67.84 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 111.015 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 1.054 ' HB2' ' HB2' ' A' ' 39' ' ' ALA . . . -56.77 -37.63 71.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.924 HD23 HG12 ' A' ' 87' ' ' VAL . 19.7 mt -50.78 -59.99 3.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.453 ' O ' ' C ' ' A' ' 69' ' ' LYS . 9.6 mtt85 -71.91 -65.28 0.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.263 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 68' ' ' ARG . 8.1 mptt -35.78 -61.88 0.45 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.82 ' O ' HG23 ' A' ' 73' ' ' THR . 21.6 mt -65.56 -63.67 1.04 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.088 . . . . 0.0 109.273 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.622 ' C ' ' O ' ' A' ' 70' ' ' LEU . 33.1 t70 20.33 87.48 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 23.2 t0 65.02 104.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.15 . . . . 0.0 109.317 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.82 HG23 ' O ' ' A' ' 70' ' ' LEU . 7.2 p -139.93 169.49 17.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.103 . . . . 0.0 110.381 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 16.7 ttpt -94.1 98.26 10.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.108 . . . . 0.0 109.363 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.531 ' CE1' ' HA ' ' A' ' 32' ' ' LEU . 9.4 t80 -85.96 132.39 34.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 111.002 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.0 ttt180 -109.23 111.11 22.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 99.1 p -68.31 -175.1 0.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.984 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -81.06 -12.63 59.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.632 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -95.87 0.81 52.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 0.0 110.323 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.516 ' O ' HG23 ' A' ' 82' ' ' THR . . . 90.26 -32.17 5.07 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.52 1.137 . . . . 0.0 110.986 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -49.8 115.78 1.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.434 0.726 . . . . 0.0 110.309 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.516 HG23 ' O ' ' A' ' 80' ' ' GLY . 20.5 p -99.52 152.68 19.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.378 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.2 m -154.84 163.0 40.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 110.02 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -96.27 110.39 22.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.812 HG21 HD13 ' A' ' 23' ' ' LEU . 6.7 pt -108.84 129.93 62.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.05 149.92 21.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.286 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.924 HG12 HD23 ' A' ' 67' ' ' LEU . 2.2 t -116.73 119.21 61.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.465 ' CD1' ' O ' ' A' ' 19' ' ' LEU . 24.3 p90 -146.62 158.33 46.57 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -173.69 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.515 1.797 . . . . 0.0 110.99 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 110.315 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.42 ' HA ' ' SD ' ' A' ' 63' ' ' MET . 12.0 m-85 . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.471 0.177 . . . . 0.0 111.008 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.423 ' NH1' ' HG3' ' A' ' 90' ' ' GLU . 0.3 OUTLIER -136.22 177.02 8.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.284 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.804 HG23 HG23 ' A' ' 55' ' ' VAL . 31.5 m -134.96 123.9 41.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 13.0 mt -86.22 120.71 27.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.648 HG12 HD21 ' A' ' 23' ' ' LEU . 84.3 t -107.92 138.39 34.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 83.5 p -148.39 128.61 13.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.983 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.459 ' C ' HG22 ' A' ' 85' ' ' ILE . . . 127.53 1.06 6.64 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.566 1.166 . . . . 0.0 110.989 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.674 HD11 HD12 ' A' ' 32' ' ' LEU . 3.9 mm? -41.03 154.3 0.22 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.471 0.748 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.5 ' HG2' ' CA ' ' A' ' 27' ' ' GLY . 18.4 Cg_endo -74.98 174.92 11.95 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.487 1.783 . . . . 0.0 111.046 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -19.11 18.27 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.468 1.773 . . . . 0.0 111.037 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.0 m -120.77 12.07 11.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.009 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.5 ' CA ' ' HG2' ' A' ' 24' ' ' PRO . . . -57.4 162.98 7.7 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.535 1.147 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.2 m -143.1 149.07 37.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 0.767 . . . . 0.0 109.981 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.629 ' HB3' HG12 ' A' ' 47' ' ' VAL . 48.0 p-90 -65.41 -40.97 94.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 107.992 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.569 ' HG3' ' CZ3' ' A' ' 29' ' ' TRP . 2.3 tt0 -50.02 -68.75 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.288 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.419 ' HB3' ' CE1' ' A' ' 75' ' ' PHE . 0.8 OUTLIER -55.31 -44.1 75.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.792 HD23 ' C ' ' A' ' 32' ' ' LEU . 1.3 tt -50.65 -49.47 56.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.472 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 9.6 tttt -57.77 -60.47 3.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 0.0 109.249 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -40.34 -29.37 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.432 ' N ' ' O ' ' A' ' 33' ' ' LYS . 6.7 t60 -82.75 -64.63 1.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.63 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.651 ' HG3' HG21 ' A' ' 55' ' ' VAL . 29.9 mmm -46.67 -39.37 11.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 111.035 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.485 ' O ' ' C ' ' A' ' 38' ' ' GLU . 4.8 mmm180 -43.76 -24.88 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 110.33 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.485 ' C ' ' O ' ' A' ' 37' ' ' ARG . 0.4 OUTLIER -31.77 -40.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.285 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 1.071 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . . . -64.55 -78.42 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.108 . . . . 0.0 109.338 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -149.13 -124.75 1.36 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.551 1.157 . . . . 0.0 110.999 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -98.96 124.43 43.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 0.759 . . . . 0.0 109.289 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.472 HG11 HG12 ' A' ' 55' ' ' VAL . 21.4 t -92.43 121.43 43.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 0.0 109.261 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.447 ' HB2' HD21 ' A' ' 58' ' ' LEU . 42.9 t -88.67 -29.32 19.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 108.298 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.716 ' CD1' ' HE2' ' A' ' 54' ' ' MET . 12.1 t80 -133.65 134.38 43.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.986 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -152.23 126.77 9.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.454 ' HA ' ' CB ' ' A' ' 29' ' ' TRP . 0.4 OUTLIER -159.15 173.27 16.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.629 HG12 ' HB3' ' A' ' 29' ' ' TRP . 2.3 p -141.6 139.32 31.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -105.46 162.68 13.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.328 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.37 174.02 0.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.8 t70 74.05 -57.63 0.61 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.417 1.073 . . . . 0.0 109.306 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 148.6 44.7 0.03 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.462 1.101 . . . . 0.0 110.977 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.446 ' O ' HG23 ' A' ' 47' ' ' VAL . 2.9 mtp -111.12 164.01 13.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 0.764 . . . . 0.0 111.0 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -158.41 166.74 34.35 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.553 1.158 . . . . 0.0 110.954 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.716 ' HE2' ' CD1' ' A' ' 44' ' ' TYR . 2.3 ttp -154.79 121.58 5.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 0.786 . . . . 0.0 110.974 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.804 HG23 HG23 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -129.09 135.07 62.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.272 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.408 ' HG2' ' CB ' ' A' ' 17' ' ' ARG . 2.7 mt-10 -113.0 127.58 56.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.246 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.863 ' CE1' ' HB3' ' A' ' 39' ' ' ALA . 37.3 m-85 -96.56 153.82 17.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 111.023 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.447 HD21 ' HB2' ' A' ' 43' ' ' CYS . 19.2 mt -84.97 -27.5 26.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -110.08 138.82 45.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 110.304 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 48.3 tttt -58.58 -55.86 29.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.06 -54.3 5.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.299 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -42.15 -48.7 4.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.449 ' HA ' ' CD2' ' A' ' 57' ' ' TYR . 16.8 ttp -52.6 -67.35 0.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -55.27 -44.29 75.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.269 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.578 ' CD1' ' HA ' ' A' ' 39' ' ' ALA . 29.4 t80 -50.54 -66.96 0.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.998 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 1.071 ' HB2' ' HB2' ' A' ' 39' ' ' ALA . . . -57.27 -38.05 73.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.901 HD23 HG12 ' A' ' 87' ' ' VAL . 19.0 mt -50.85 -59.07 4.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.257 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.46 ' O ' ' C ' ' A' ' 69' ' ' LYS . 26.6 mmt180 -72.24 -65.95 0.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.31 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 68' ' ' ARG . 3.0 mptp? -35.5 -61.76 0.44 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.544 1.153 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.796 ' O ' HG23 ' A' ' 73' ' ' THR . 22.0 mt -65.45 -62.66 1.4 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.641 ' C ' ' O ' ' A' ' 70' ' ' LEU . 31.1 t70 17.09 81.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 12.6 t0 73.32 103.24 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.796 HG23 ' O ' ' A' ' 70' ' ' LEU . 18.1 p -140.17 167.79 21.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 110.355 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.9 ttpt -95.64 99.02 10.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.435 1.084 . . . . 0.0 109.276 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.522 ' CE1' ' HA ' ' A' ' 32' ' ' LEU . 11.9 t80 -87.27 119.94 28.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 111.013 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 50.2 ttt180 -96.57 109.71 22.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.31 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 96.4 p -65.74 -173.1 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.592 1.183 . . . . 0.0 110.008 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.513 ' CE1' ' HG2' ' A' ' 79' ' ' GLU . 0.1 OUTLIER -81.76 -10.71 59.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.588 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.513 ' HG2' ' CE1' ' A' ' 78' ' ' HIS . 3.9 mm-40 -96.76 3.04 52.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.112 . . . . 0.0 110.312 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.434 ' O ' HG23 ' A' ' 82' ' ' THR . . . 89.57 -33.26 4.43 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.509 1.131 . . . . 0.0 111.018 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -50.52 132.32 25.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 0.788 . . . . 0.0 110.33 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.434 HG23 ' O ' ' A' ' 80' ' ' GLY . 65.8 p -118.63 153.55 34.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.132 . . . . 0.0 110.384 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.1 m -152.67 160.83 43.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.012 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -90.98 106.1 18.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.104 . . . . 0.0 111.014 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.511 HG21 HD13 ' A' ' 23' ' ' LEU . 3.3 pt -105.84 129.52 58.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.77 155.76 18.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.337 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.901 HG12 HD23 ' A' ' 67' ' ' LEU . 2.3 t -122.86 119.47 58.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.346 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 23.9 p90 -148.73 156.74 41.45 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 110.975 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 177.3 8.79 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.55 1.816 . . . . 0.0 111.027 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.423 ' HG3' ' NH1' ' A' ' 17' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.313 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.556 0.217 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.515 HH22 ' N ' ' A' ' 90' ' ' GLU . 0.0 OUTLIER -135.15 179.25 6.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 110.311 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.697 ' CG2' HG23 ' A' ' 55' ' ' VAL . 14.6 m -134.08 148.87 30.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.544 1.153 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.7 mt -99.95 120.9 40.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.421 HG13 ' HB ' ' A' ' 85' ' ' ILE . 76.7 t -105.58 134.67 46.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.42 ' O ' ' HA ' ' A' ' 85' ' ' ILE . 11.2 p -140.89 152.69 45.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.019 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.468 ' C ' HG22 ' A' ' 85' ' ' ILE . . . 82.61 45.82 6.67 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.455 1.097 . . . . 0.0 110.957 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.518 ' HG ' HG21 ' A' ' 85' ' ' ILE . 3.8 mt -91.39 158.47 40.84 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.538 0.787 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 171.76 17.69 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.446 1.761 . . . . 0.0 111.025 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -23.63 13.59 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.526 1.803 . . . . 0.0 111.031 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.1 m -102.39 -3.8 26.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.036 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -56.39 147.06 32.44 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.524 1.14 . . . . 0.0 110.997 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 m -131.81 -178.22 4.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 0.786 . . . . 0.0 110.037 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.518 ' CE3' ' N ' ' A' ' 30' ' ' GLN . 41.9 p-90 -88.06 -39.4 14.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 107.965 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.518 ' N ' ' CE3' ' A' ' 29' ' ' TRP . 0.3 OUTLIER -50.77 -70.63 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.282 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.2 -38.15 62.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.636 HD23 ' C ' ' A' ' 32' ' ' LEU . 4.8 tt -56.37 -55.27 35.55 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.514 1.133 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.487 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 11.2 ttpt -53.86 -59.46 4.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -41.91 -27.96 0.14 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.429 ' N ' ' C ' ' A' ' 33' ' ' LYS . 6.1 t60 -87.65 -55.46 3.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.566 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.663 ' HG3' HG21 ' A' ' 55' ' ' VAL . 28.8 mmm -55.73 -36.83 67.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.998 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.487 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 5.1 mmm180 -43.87 -24.7 0.15 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.324 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.476 ' C ' ' O ' ' A' ' 37' ' ' ARG . 4.5 mm-40 -31.93 -40.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 110.276 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 1.014 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . . . -62.5 -76.36 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -150.51 -120.14 0.95 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.469 1.105 . . . . 0.0 111.0 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -108.61 122.45 47.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 0.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.66 HG11 HG12 ' A' ' 55' ' ' VAL . 6.0 t -85.84 133.2 30.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.59 ' HB2' HD21 ' A' ' 58' ' ' LEU . 37.7 t -93.37 -32.84 14.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 108.31 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.506 ' CZ ' ' HB2' ' A' ' 46' ' ' ASP . 70.6 t80 -144.14 151.22 39.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 111.007 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -152.21 122.55 7.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.334 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.506 ' HB2' ' CZ ' ' A' ' 44' ' ' TYR . 27.3 t0 -133.85 160.22 38.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.258 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 5.7 p -140.82 140.3 33.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -115.4 170.13 8.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.312 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.437 ' O ' ' CB ' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -69.25 179.07 2.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.437 ' CB ' ' O ' ' A' ' 49' ' ' LYS . 1.1 t70 78.04 -58.37 0.46 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.26 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 22' ' ' GLY . . . 146.74 44.58 0.04 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.497 1.123 . . . . 0.0 110.954 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -117.68 153.94 32.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 0.754 . . . . 0.0 110.996 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -144.96 168.92 26.84 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.473 1.108 . . . . 0.0 111.064 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -154.86 130.39 9.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 0.765 . . . . 0.0 110.989 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.697 HG23 ' CG2' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -135.02 131.93 53.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.466 ' CG ' ' HB3' ' A' ' 17' ' ' ARG . 0.9 OUTLIER -105.69 114.72 29.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.307 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.789 ' CE1' ' HB3' ' A' ' 39' ' ' ALA . 27.4 m-85 -85.47 169.86 13.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 111.004 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.59 HD21 ' HB2' ' A' ' 43' ' ' CYS . 33.1 mt -109.11 12.2 25.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 109.33 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 24.0 mmt180 -149.39 136.44 19.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.32 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 61.1 tttt -62.07 -57.19 12.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.362 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.85 -50.89 17.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.294 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -50.66 -45.65 58.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.451 ' HA ' ' CD2' ' A' ' 57' ' ' TYR . 9.6 ttp -52.02 -55.49 20.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 111.042 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.43 ' HA ' HD12 ' A' ' 67' ' ' LEU . 21.7 mt-10 -65.52 -43.82 88.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 110.298 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.572 ' CD1' ' HA ' ' A' ' 39' ' ' ALA . 13.6 t80 -49.09 -59.19 3.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.99 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 1.014 ' HB2' ' HB2' ' A' ' 39' ' ' ALA . . . -61.0 -39.12 88.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.785 HD23 HG12 ' A' ' 87' ' ' VAL . 19.2 mt -51.76 -55.62 18.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 109.349 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.457 ' O ' ' C ' ' A' ' 69' ' ' LYS . 0.3 OUTLIER -72.65 -67.48 0.55 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 110.266 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.457 ' C ' ' O ' ' A' ' 68' ' ' ARG . 14.5 mptt -35.99 -61.56 0.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.795 ' HB2' HG21 ' A' ' 87' ' ' VAL . 22.9 mt -64.54 -62.29 1.68 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.237 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.644 ' C ' ' O ' ' A' ' 70' ' ' LEU . 62.5 t0 17.14 71.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.475 ' CB ' ' O ' ' A' ' 71' ' ' ASP . 8.3 t0 81.24 108.59 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.093 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.634 HG23 ' O ' ' A' ' 70' ' ' LEU . 29.1 p -141.82 173.73 11.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.426 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.2 ttmt -96.38 103.81 15.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.324 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.468 ' CD2' HD23 ' A' ' 23' ' ' LEU . 35.1 t80 -94.17 120.82 34.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 111.01 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 39.6 ttt-85 -98.58 115.16 28.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.296 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 32.5 p -68.6 169.77 10.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.992 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -69.54 -14.47 62.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 109.635 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -91.91 4.69 52.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 110.279 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 89.95 -27.38 8.26 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.489 1.118 . . . . 0.0 110.977 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -54.79 136.89 45.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 0.756 . . . . 0.0 110.29 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 24.5 p -116.24 148.74 40.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.413 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 17.0 m -150.45 164.87 34.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.044 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -103.32 111.2 23.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 111.042 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.518 HG21 ' HG ' ' A' ' 23' ' ' LEU . 3.7 pt -108.61 130.09 61.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 109.316 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.2 mmm-85 -90.95 145.01 25.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.277 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.795 HG21 ' HB2' ' A' ' 70' ' ' LEU . 2.1 t -111.13 115.05 48.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.549 1.155 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 19.4 p90 -144.02 161.66 44.4 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.98 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.408 ' HA ' ' NH2' ' A' ' 17' ' ' ARG . 18.3 Cg_endo -75.0 -166.81 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.518 1.799 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.515 ' N ' HH22 ' A' ' 17' ' ' ARG . 28.2 tt0 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 110.274 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.559 ' CZ ' ' HB2' ' A' ' 60' ' ' LYS . 47.1 m-85 . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 120.499 0.19 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.5 ptp85 -136.69 163.33 30.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.314 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.703 ' CG2' HG23 ' A' ' 55' ' ' VAL . 27.5 m -120.72 125.76 74.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.335 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.548 HD11 ' HG2' ' A' ' 90' ' ' GLU . 8.3 mt -81.98 118.88 23.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.553 1.158 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.422 ' O ' ' N ' ' A' ' 53' ' ' GLY . 19.8 t -107.12 134.83 47.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.346 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 89.2 p -141.42 145.27 35.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.028 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.526 ' C ' HG22 ' A' ' 85' ' ' ILE . . . 97.31 29.84 7.69 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.521 1.138 . . . . 0.0 111.022 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.3 mt -77.65 157.65 79.45 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.515 0.773 . . . . 0.0 109.306 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 173.18 14.96 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.526 1.803 . . . . 0.0 110.968 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -19.39 17.86 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.471 1.774 . . . . 0.0 110.977 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 12.8 t -107.32 -12.29 15.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.995 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -47.63 123.61 8.93 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.492 1.12 . . . . 0.0 111.033 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.9 m -111.21 161.39 16.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 0.734 . . . . 0.0 109.983 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.597 ' CE3' ' N ' ' A' ' 30' ' ' GLN . 42.4 p-90 -66.69 -43.86 83.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 108.02 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.597 ' N ' ' CE3' ' A' ' 29' ' ' TRP . 0.0 OUTLIER -44.34 -74.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 110.271 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -49.83 -45.86 50.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.595 HD23 ' C ' ' A' ' 32' ' ' LEU . 5.9 tt -49.43 -56.32 10.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.487 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 13.0 ttpt -51.44 -61.05 2.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.581 1.176 . . . . 0.0 109.35 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -41.12 -29.02 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.271 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.422 ' N ' ' C ' ' A' ' 33' ' ' LYS . 5.9 t60 -85.83 -58.45 2.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.577 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.636 ' HG3' HG21 ' A' ' 55' ' ' VAL . 27.8 mmm -52.75 -39.7 62.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 111.004 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.487 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 0.3 OUTLIER -41.1 -26.78 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.33 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.478 ' C ' ' O ' ' A' ' 37' ' ' ARG . 3.7 mm-40 -31.69 -40.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.324 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 1.066 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . . . -60.91 -75.97 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -153.44 -108.18 0.33 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.457 1.098 . . . . 0.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -114.68 130.44 56.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 0.794 . . . . 0.0 109.32 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.464 HG11 HG12 ' A' ' 55' ' ' VAL . 4.0 t -97.95 121.75 48.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 109.356 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.644 ' HB3' HD21 ' A' ' 58' ' ' LEU . 17.7 p -88.08 -32.39 18.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 108.323 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -138.45 144.39 40.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 111.028 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -150.79 112.95 4.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -132.7 163.75 28.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.473 ' CG2' HD13 ' A' ' 32' ' ' LEU . 25.7 t -141.98 145.55 23.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -114.9 170.2 8.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.333 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.63 -178.77 0.58 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.3 t0 72.82 -58.81 0.59 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.354 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' A' ' 22' ' ' GLY . . . 148.06 43.51 0.03 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.468 1.105 . . . . 0.0 111.034 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.439 ' O ' HG13 ' A' ' 47' ' ' VAL . 6.3 mtt -108.89 159.0 17.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 0.778 . . . . 0.0 111.0 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -148.63 161.07 28.58 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.487 1.117 . . . . 0.0 110.986 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -152.38 120.03 6.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 0.73 . . . . 0.0 110.978 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.703 HG23 ' CG2' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -129.43 140.71 48.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.117 . . . . 0.0 109.29 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -111.45 140.4 46.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 110.282 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.841 ' CE1' ' HB3' ' A' ' 39' ' ' ALA . 37.4 m-85 -113.18 149.91 32.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 110.994 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.644 HD21 ' HB3' ' A' ' 43' ' ' CYS . 1.8 mm? -86.6 3.82 42.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.348 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.0 mtp180 -139.16 127.94 23.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.325 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.559 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 76.8 tttt -58.04 -52.38 65.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -53.46 -46.92 70.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.148 . . . . 0.0 110.27 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -53.67 -34.79 59.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.512 ' SD ' HD11 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -61.06 -55.62 30.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 110.978 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.605 ' HA ' HD12 ' A' ' 67' ' ' LEU . 20.0 mt-10 -63.12 -39.11 93.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.354 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.603 ' CD1' ' HA ' ' A' ' 39' ' ' ALA . 24.7 t80 -50.81 -65.15 0.61 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.138 . . . . 0.0 110.971 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 1.066 ' HB2' ' HB2' ' A' ' 39' ' ' ALA . . . -57.03 -38.27 72.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.344 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.753 HD23 HG12 ' A' ' 87' ' ' VAL . 24.3 mt -51.49 -58.59 5.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.446 ' O ' ' C ' ' A' ' 69' ' ' LYS . 14.8 mmt85 -71.08 -66.23 0.64 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.288 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.455 ' HD3' ' CD2' ' A' ' 65' ' ' TYR . 0.1 OUTLIER -36.58 -63.27 0.41 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.333 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.84 ' O ' HG23 ' A' ' 73' ' ' THR . 25.1 mt -62.77 -63.52 1.19 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.27 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.634 ' C ' ' O ' ' A' ' 70' ' ' LEU . 39.1 t0 18.21 92.0 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.421 ' HB3' ' O ' ' A' ' 71' ' ' ASP . 20.8 t70 62.58 100.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.84 HG23 ' O ' ' A' ' 70' ' ' LEU . 5.0 p -133.37 174.14 10.72 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.535 1.147 . . . . 0.0 110.367 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.6 ttmt -102.32 99.18 9.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.418 ' CE1' ' HA ' ' A' ' 32' ' ' LEU . 40.4 t80 -91.29 129.43 37.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.135 . . . . 0.0 111.0 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.422 ' HA ' ' O ' ' A' ' 81' ' ' GLU . 4.2 ttp180 -112.09 121.54 45.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.301 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 52.2 p -78.01 179.32 6.86 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 110.04 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -74.86 -3.26 30.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.449 1.093 . . . . 0.0 109.563 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -99.45 16.65 22.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.316 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 64.74 9.31 38.35 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.454 1.096 . . . . 0.0 111.012 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.427 ' HG3' ' N ' ' A' ' 82' ' ' THR . 2.7 tt0 -86.17 137.12 32.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 0.776 . . . . 0.0 110.281 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.427 ' N ' ' HG3' ' A' ' 81' ' ' GLU . 11.7 p -118.61 147.63 43.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.356 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.3 p -158.89 148.6 19.13 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 109.976 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -83.22 118.53 23.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.442 1.089 . . . . 0.0 110.967 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.526 HG22 ' C ' ' A' ' 22' ' ' GLY . 7.5 pt -116.58 131.08 70.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.256 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.19 152.82 20.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.26 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.753 HG12 HD23 ' A' ' 67' ' ' LEU . 2.1 t -121.72 114.77 44.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.533 ' CE1' ' O ' ' A' ' 19' ' ' LEU . 9.1 p90 -142.24 157.62 62.89 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 111.048 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 179.66 5.87 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.514 1.797 . . . . 0.0 110.983 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.548 ' HG2' HD11 ' A' ' 19' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.295 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.566 ' CE1' ' HB2' ' A' ' 60' ' ' LYS . 7.8 m-85 . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.547 0.213 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.583 ' CG ' ' HG2' ' A' ' 56' ' ' GLU . 21.6 mtt85 -98.96 166.62 11.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.313 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.966 HG23 HG23 ' A' ' 55' ' ' VAL . 9.4 m -136.69 117.57 18.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.471 ' HB2' ' CD2' ' A' ' 88' ' ' TYR . 10.7 mt -82.34 132.79 35.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.26 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.47 HG11 HD12 ' A' ' 85' ' ' ILE . 43.6 t -126.3 133.8 67.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.9 m -136.09 154.69 50.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 110.03 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.494 ' C ' HG22 ' A' ' 85' ' ' ILE . . . 92.69 34.89 6.69 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.525 1.141 . . . . 0.0 110.976 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.511 ' HG ' HG21 ' A' ' 85' ' ' ILE . 1.2 mt -87.14 157.77 53.43 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.521 0.777 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 170.45 20.4 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.493 1.786 . . . . 0.0 111.005 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -19.01 18.28 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.477 1.777 . . . . 0.0 110.998 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.2 m -104.59 -3.3 24.0 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 109.999 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -55.54 148.01 27.15 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.462 1.101 . . . . 0.0 111.026 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.6 m -128.01 178.55 6.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 0.772 . . . . 0.0 109.982 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.518 ' CZ3' ' HG3' ' A' ' 30' ' ' GLN . 63.4 p-90 -87.62 -45.89 10.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.13 . . . . 0.0 107.997 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.518 ' HG3' ' CZ3' ' A' ' 29' ' ' TRP . 27.8 mt-30 -47.53 -65.63 0.53 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 110.3 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -55.13 -39.86 69.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.81 HD23 ' C ' ' A' ' 32' ' ' LEU . 0.8 OUTLIER -57.68 -48.53 79.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.523 ' N ' HD23 ' A' ' 32' ' ' LEU . 10.2 ttpt -57.43 -57.02 14.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -44.89 -25.42 0.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.426 ' N ' ' C ' ' A' ' 33' ' ' LYS . 5.7 t60 -88.05 -51.03 6.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.611 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.772 ' HG3' HG21 ' A' ' 55' ' ' VAL . 26.7 mmm -60.54 -41.08 93.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 111.022 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.492 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 6.3 mtm180 -41.12 -26.99 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.287 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.482 ' C ' ' O ' ' A' ' 37' ' ' ARG . 0.4 OUTLIER -31.39 -40.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 110.311 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 1.002 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . . . -64.43 -81.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -143.35 -120.34 1.49 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.454 1.096 . . . . 0.0 111.023 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -103.75 139.96 38.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 0.768 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.533 HG11 HG12 ' A' ' 55' ' ' VAL . 3.5 t -111.2 127.07 68.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 0.0 109.303 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 41.1 t -99.51 -27.54 13.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.436 1.085 . . . . 0.0 108.293 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.553 ' CG ' ' OE2' ' A' ' 56' ' ' GLU . 50.6 t80 -130.75 142.96 50.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -152.63 115.21 4.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.327 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -133.82 162.58 31.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 109.328 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.1 p -141.16 138.46 33.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.259 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -109.05 160.04 16.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 110.321 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.26 -178.97 0.4 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.8 t0 73.86 -58.71 0.58 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.437 ' O ' ' N ' ' A' ' 22' ' ' GLY . . . 152.44 43.92 0.02 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.499 1.124 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -110.31 159.33 17.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 0.78 . . . . 0.0 111.007 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -151.89 158.99 28.08 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.475 1.109 . . . . 0.0 111.024 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.489 ' HE3' ' HD3' ' A' ' 17' ' ' ARG . 2.1 ttp -149.95 148.41 29.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 0.749 . . . . 0.0 111.02 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.966 HG23 HG23 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -153.87 156.56 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.256 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.583 ' HG2' ' CG ' ' A' ' 17' ' ' ARG . 47.2 mt-10 -122.82 142.35 50.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.324 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.588 ' CE1' ' HB3' ' A' ' 39' ' ' ALA . 15.8 m-85 -118.04 145.03 45.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 111.011 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -88.3 10.34 20.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 7.0 mmt180 -147.73 131.89 17.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.342 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.566 ' HB2' ' CE1' ' A' ' 16' ' ' PHE . 31.8 tttt -60.89 -58.32 8.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -48.6 -56.04 9.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.324 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.782 ' O ' ' HB1' ' A' ' 39' ' ' ALA . 75.2 m-20 -47.07 -29.48 2.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.555 ' HA ' ' CD2' ' A' ' 57' ' ' TYR . 0.0 OUTLIER -67.52 -68.55 0.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.983 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.487 ' HA ' HD12 ' A' ' 67' ' ' LEU . 25.0 mt-10 -46.68 -40.46 13.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.281 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.588 ' CD1' ' HA ' ' A' ' 39' ' ' ALA . 26.3 t80 -49.91 -64.57 0.77 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 111.032 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 1.002 ' HB2' ' HB2' ' A' ' 39' ' ' ALA . . . -57.48 -40.04 77.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.866 HD23 HG12 ' A' ' 87' ' ' VAL . 28.1 mt -50.12 -57.79 6.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.289 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.474 ' O ' ' C ' ' A' ' 69' ' ' LYS . 6.9 mmp_? -72.49 -67.9 0.52 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 110.304 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.474 ' C ' ' O ' ' A' ' 68' ' ' ARG . 10.1 mptt -34.48 -61.78 0.37 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.721 ' O ' HG23 ' A' ' 73' ' ' THR . 21.8 mt -63.79 -59.59 4.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.691 ' C ' ' O ' ' A' ' 70' ' ' LEU . 46.4 t0 9.45 77.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.5 ' CB ' ' O ' ' A' ' 71' ' ' ASP . 5.9 t0 81.76 102.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.721 HG23 ' O ' ' A' ' 70' ' ' LEU . 21.1 p -135.97 172.56 12.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.43 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 16.7 tttt -100.68 100.04 10.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.505 ' CD2' HD23 ' A' ' 23' ' ' LEU . 42.1 t80 -88.81 139.96 29.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.988 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -110.92 111.79 23.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 110.297 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.7 p -63.83 162.03 14.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.133 . . . . 0.0 110.003 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.475 ' CE1' ' HG2' ' A' ' 79' ' ' GLU . 0.1 OUTLIER -65.93 -13.17 59.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.579 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.475 ' HG2' ' CE1' ' A' ' 78' ' ' HIS . 4.8 mm-40 -93.21 -6.16 48.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 110.313 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 102.12 -30.51 10.23 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.488 1.118 . . . . 0.0 110.995 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -51.35 133.97 28.62 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.47 0.747 . . . . 0.0 110.276 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.1 p -110.6 149.95 29.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 110.391 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 49.7 m -158.89 154.48 26.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 110.024 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -89.36 119.86 30.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.511 HG21 ' HG ' ' A' ' 23' ' ' LEU . 7.2 pt -114.48 131.69 65.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.262 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.406 ' O ' ' HA ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER -91.22 151.99 20.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 110.253 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.866 HG12 HD23 ' A' ' 67' ' ' LEU . 3.3 t -118.95 121.09 65.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.356 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.471 ' CD2' ' HB2' ' A' ' 19' ' ' LEU . 10.8 p90 -146.31 158.23 47.87 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 111.035 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 177.88 8.0 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.457 1.767 . . . . 0.0 111.003 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 110.28 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.534 0.207 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 30.2 ptt-85 -137.08 164.0 29.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 0.0 110.306 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.712 ' CG2' HG23 ' A' ' 55' ' ' VAL . 27.2 m -122.74 135.5 62.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.602 ' O ' ' CE1' ' A' ' 88' ' ' TYR . 0.9 OUTLIER -94.41 114.35 26.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.316 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.436 HG13 ' HB ' ' A' ' 85' ' ' ILE . 93.2 t -94.81 133.99 33.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 9.6 p -138.78 141.9 38.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 110.019 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 51' ' ' GLY . . . 96.83 34.84 5.57 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.47 1.106 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.444 HD23 ' CD2' ' A' ' 75' ' ' PHE . 5.5 mt -82.07 156.74 69.33 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.479 0.752 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 171.61 17.96 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.436 1.756 . . . . 0.0 110.996 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -17.83 19.16 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.462 1.77 . . . . 0.0 111.012 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.6 t -106.86 -20.74 13.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.157 . . . . 0.0 110.011 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -38.08 142.42 0.32 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.459 1.099 . . . . 0.0 110.974 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -126.69 171.15 11.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 0.736 . . . . 0.0 109.992 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.631 ' CE3' ' N ' ' A' ' 30' ' ' GLN . 48.8 p-90 -76.91 -48.52 18.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 108.008 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.631 ' N ' ' CE3' ' A' ' 29' ' ' TRP . 5.2 tm0? -45.03 -61.29 1.69 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.306 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -57.14 -44.84 83.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.268 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.688 HD23 ' C ' ' A' ' 32' ' ' LEU . 2.1 tt -54.6 -52.61 61.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.264 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.494 ' N ' HD23 ' A' ' 32' ' ' LEU . 9.9 tttt -52.29 -63.63 1.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 109.261 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -41.06 -28.92 0.1 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.464 1.103 . . . . 0.0 109.32 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.429 ' N ' ' C ' ' A' ' 33' ' ' LYS . 6.4 t60 -85.88 -54.33 4.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.626 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.712 ' HG3' HG21 ' A' ' 55' ' ' VAL . 27.6 mmm -56.56 -40.83 75.82 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.561 1.163 . . . . 0.0 110.96 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.461 ' O ' ' C ' ' A' ' 38' ' ' GLU . 5.8 mmm-85 -40.15 -27.85 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.287 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 37' ' ' ARG . 3.7 mm-40 -33.1 -39.53 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.289 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 1.064 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . . . -61.96 -74.19 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -158.99 -114.98 0.4 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -101.93 131.06 48.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 0.793 . . . . 0.0 109.328 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.408 ' HB ' ' CE ' ' A' ' 33' ' ' LYS . 3.3 t -108.09 123.12 63.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.155 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 18.7 t -102.49 -29.14 11.78 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.501 1.126 . . . . 0.0 108.329 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.543 ' O ' HG12 ' A' ' 55' ' ' VAL . 14.3 t80 -119.02 134.57 55.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 110.96 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -152.46 112.44 4.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.325 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -142.47 150.17 40.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.56 ' CG2' HD13 ' A' ' 32' ' ' LEU . 75.3 t -141.05 140.82 32.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -118.57 170.1 9.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.151 . . . . 0.0 110.32 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.3 -171.55 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 72.76 -59.37 0.57 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 22' ' ' GLY . . . 140.99 44.26 0.06 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.532 1.145 . . . . 0.0 110.97 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -122.35 140.36 52.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 0.79 . . . . 0.0 111.003 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -132.52 165.63 23.68 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.509 1.13 . . . . 0.0 111.028 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.497 ' HE2' ' CD1' ' A' ' 44' ' ' TYR . 2.0 ttp -151.24 130.68 12.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 0.774 . . . . 0.0 110.956 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.712 HG23 ' CG2' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -138.14 146.49 26.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.339 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.422 ' HB2' ' CB ' ' A' ' 44' ' ' TYR . 5.5 mt-10 -119.24 146.61 45.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 110.305 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.697 ' CE1' ' HB3' ' A' ' 39' ' ' ALA . 55.5 m-85 -122.0 156.3 33.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.972 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.644 HD22 ' N ' ' A' ' 58' ' ' LEU . 1.1 mm? -94.08 16.7 13.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.275 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 13.9 mmt180 -147.34 137.38 23.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 110.279 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -65.06 -57.92 7.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -48.29 -47.07 36.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 110.274 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.641 ' OD1' ' HB1' ' A' ' 39' ' ' ALA . 1.3 t0 -49.63 -44.23 47.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.32 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.684 ' SD ' HD11 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -57.94 -58.77 6.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.157 . . . . 0.0 111.016 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.52 ' HA ' HD12 ' A' ' 67' ' ' LEU . 9.9 mt-10 -58.89 -42.4 89.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 110.263 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.612 ' CD1' ' HA ' ' A' ' 39' ' ' ALA . 30.4 t80 -50.45 -67.04 0.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.163 . . . . 0.0 111.014 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 1.064 ' HB2' ' HB2' ' A' ' 39' ' ' ALA . . . -55.6 -40.36 71.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.577 1.173 . . . . 0.0 109.349 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.767 HD23 HG12 ' A' ' 87' ' ' VAL . 23.4 mt -49.52 -59.38 3.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.469 ' O ' ' C ' ' A' ' 69' ' ' LYS . 3.7 mmp_? -71.35 -67.64 0.5 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.282 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.469 ' C ' ' O ' ' A' ' 68' ' ' ARG . 0.3 OUTLIER -34.81 -63.62 0.3 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.806 ' O ' HG23 ' A' ' 73' ' ' THR . 27.0 mt -63.01 -62.49 1.68 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.65 ' C ' ' O ' ' A' ' 70' ' ' LEU . 64.5 t0 16.21 88.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 12.5 t0 67.26 100.98 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 109.278 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.806 HG23 ' O ' ' A' ' 70' ' ' LEU . 11.7 p -135.22 168.06 19.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 110.368 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.6 ttpt -96.94 98.75 10.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.282 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.444 ' CD2' HD23 ' A' ' 23' ' ' LEU . 32.3 t80 -89.08 132.35 34.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -102.46 115.54 30.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 110.278 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 24.2 p -67.35 168.32 10.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 110.013 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -68.07 -12.09 60.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.574 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -97.32 5.75 49.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.15 . . . . 0.0 110.312 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 90.08 -37.13 3.4 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.543 1.152 . . . . 0.0 110.996 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -48.85 122.59 5.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 0.736 . . . . 0.0 110.292 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 20.0 p -99.14 155.88 17.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 110.442 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 7.8 m -155.55 159.63 39.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 110.012 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -92.17 113.31 25.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.993 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.436 ' HB ' HG13 ' A' ' 20' ' ' VAL . 12.4 pt -108.02 132.83 54.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 -97.95 154.14 17.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.279 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.767 HG12 HD23 ' A' ' 67' ' ' LEU . 2.0 t -125.02 123.33 65.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.602 ' CE1' ' O ' ' A' ' 19' ' ' LEU . 35.6 p90 -153.22 156.51 32.61 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 0.0 111.017 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.452 ' C ' HD23 ' A' ' 19' ' ' LEU . 18.2 Cg_endo -75.02 174.53 12.63 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.499 1.789 . . . . 0.0 110.955 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.407 ' CB ' HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.3 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.506 ' CE2' ' HB2' ' A' ' 60' ' ' LYS . 22.1 m-85 . . . . . 0 N--CA 1.454 -0.263 0 CA-C-O 120.495 0.188 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.422 ' NH2' ' OE1' ' A' ' 90' ' ' GLU . 10.7 ptt180 -136.51 166.84 22.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.25 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.652 ' CG2' HG23 ' A' ' 55' ' ' VAL . 27.3 m -120.42 129.27 75.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.54 ' O ' ' CD1' ' A' ' 88' ' ' TYR . 15.9 mt -87.9 122.93 32.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.6 HG12 HD21 ' A' ' 23' ' ' LEU . 72.5 t -114.0 134.83 55.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.363 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 56.0 p -143.65 126.04 15.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.003 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.486 ' C ' HG22 ' A' ' 85' ' ' ILE . . . 135.51 -6.17 4.2 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.496 1.123 . . . . 0.0 111.041 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.931 HD13 HG21 ' A' ' 85' ' ' ILE . 3.3 mm? -40.19 151.65 0.24 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.455 0.738 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.402 ' HD2' ' HA3' ' A' ' 27' ' ' GLY . 18.2 Cg_endo -75.0 174.1 13.37 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.52 1.8 . . . . 0.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -15.71 20.52 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.561 1.821 . . . . 0.0 110.993 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.4 m -120.63 8.42 10.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.021 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.402 ' HA3' ' HD2' ' A' ' 24' ' ' PRO . . . -61.44 163.9 21.38 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.499 1.124 . . . . 0.0 111.044 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 64.9 m -142.95 163.5 32.63 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.473 0.749 . . . . 0.0 110.067 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.537 ' HB3' HG12 ' A' ' 47' ' ' VAL . 59.8 p-90 -75.24 -47.76 26.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 107.983 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.487 ' HG3' ' CH2' ' A' ' 29' ' ' TRP . 50.6 mt-30 -38.9 -70.26 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.276 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.445 ' HB3' ' CE1' ' A' ' 75' ' ' PHE . 0.1 OUTLIER -52.51 -48.42 66.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.562 1.163 . . . . 0.0 109.278 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.646 HD23 ' C ' ' A' ' 32' ' ' LEU . 4.6 tt -48.15 -53.13 17.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.466 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 1.9 tttt -53.59 -65.89 0.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 33' ' ' LYS . 54.3 m-20 -38.98 -30.51 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.337 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.447 ' N ' ' O ' ' A' ' 33' ' ' LYS . 9.5 t-80 -83.9 -61.52 1.8 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 109.573 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.658 ' HG3' HG21 ' A' ' 55' ' ' VAL . 24.6 mmm -49.6 -39.61 36.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 0.0 110.997 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.48 ' O ' ' C ' ' A' ' 38' ' ' GLU . 4.6 mmm180 -41.91 -25.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.48 ' C ' ' O ' ' A' ' 37' ' ' ARG . 0.4 OUTLIER -31.85 -40.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.317 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 1.036 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . . . -60.97 -81.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -146.77 -111.57 0.68 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.498 1.124 . . . . 0.0 111.014 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -108.68 128.75 55.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 0.773 . . . . 0.0 109.277 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.432 ' CG2' ' HA ' ' A' ' 37' ' ' ARG . 11.7 t -102.63 116.61 46.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.337 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 15.1 t -95.53 -23.73 16.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 108.325 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.596 ' CD2' ' OE2' ' A' ' 56' ' ' GLU . 18.2 t80 -129.14 131.89 47.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.98 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -152.52 116.47 4.86 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -145.45 163.61 34.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.69 HG23 ' O ' ' A' ' 52' ' ' MET . 2.3 p -142.07 142.78 27.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.575 1.172 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -113.66 157.93 21.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.292 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.8 -178.84 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 0.0 109.325 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.2 t70 71.16 -58.55 0.57 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.272 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 145.99 54.43 0.02 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.69 ' O ' HG23 ' A' ' 47' ' ' VAL . 0.3 OUTLIER -118.18 158.94 24.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 0.751 . . . . 0.0 111.003 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -151.87 159.58 28.38 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.482 1.114 . . . . 0.0 110.987 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.498 ' HE2' ' CD1' ' A' ' 44' ' ' TYR . 2.3 ttp -153.53 117.47 4.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 0.766 . . . . 0.0 111.006 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.658 HG21 ' HG3' ' A' ' 36' ' ' MET . 0.0 OUTLIER -126.45 139.38 51.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.596 ' OE2' ' CD2' ' A' ' 44' ' ' TYR . 48.6 mt-10 -105.59 153.06 22.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.298 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.681 ' CE1' ' HB3' ' A' ' 39' ' ' ALA . 24.4 m-85 -127.42 140.64 52.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.987 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.575 HD22 ' N ' ' A' ' 58' ' ' LEU . 1.2 mm? -85.88 9.78 15.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.6 mmt180 -143.73 136.36 27.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.244 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.506 ' HB2' ' CE2' ' A' ' 16' ' ' PHE . 72.8 tttt -62.56 -57.08 12.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -46.72 -51.22 16.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 110.26 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.423 ' O ' ' HB3' ' A' ' 65' ' ' TYR . 74.7 m-20 -46.34 -50.06 16.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.549 ' HA ' ' CD2' ' A' ' 57' ' ' TYR . 18.6 ttp -51.97 -61.54 2.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 111.03 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.444 ' HA ' HD12 ' A' ' 67' ' ' LEU . 16.5 mt-10 -59.2 -44.32 92.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.325 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.578 ' CD1' ' HA ' ' A' ' 39' ' ' ALA . 22.2 t80 -50.06 -64.16 0.89 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.983 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 1.036 ' HB2' ' HB2' ' A' ' 39' ' ' ALA . . . -58.35 -38.74 77.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.564 1.165 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.738 HD23 HG12 ' A' ' 87' ' ' VAL . 19.3 mt -51.02 -57.34 8.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.261 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.465 ' O ' ' C ' ' A' ' 69' ' ' LYS . 3.3 mmp_? -73.08 -67.08 0.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.313 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.465 ' C ' ' O ' ' A' ' 68' ' ' ARG . 0.1 OUTLIER -34.86 -60.22 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.857 ' O ' HG23 ' A' ' 73' ' ' THR . 21.5 mt -66.87 -62.81 1.25 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.639 ' C ' ' O ' ' A' ' 70' ' ' LEU . 35.3 t70 17.67 88.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 37.0 t0 64.97 105.92 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.149 . . . . 0.0 109.275 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.857 HG23 ' O ' ' A' ' 70' ' ' LEU . 5.6 p -140.59 176.07 9.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 110.367 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.0 ttpt -100.41 98.44 9.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 109.307 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.523 ' CE1' ' HA ' ' A' ' 32' ' ' LEU . 21.2 t80 -85.38 133.77 34.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.994 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.2 ttt-85 -108.07 113.72 27.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 0.0 110.298 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 33.2 p -69.37 177.23 2.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 110.0 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.533 ' CE1' ' HG2' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -75.91 -15.15 60.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.594 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.533 ' HG2' ' CE1' ' A' ' 78' ' ' HIS . 4.1 mm-40 -90.38 -1.17 57.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.326 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 94.79 -31.36 6.95 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.508 1.13 . . . . 0.0 111.041 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -50.09 137.45 17.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 0.781 . . . . 0.0 110.274 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 20.2 p -120.05 141.3 49.87 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.475 1.109 . . . . 0.0 110.406 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.0 m -142.58 174.96 10.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.012 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -106.19 118.96 37.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 111.004 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.931 HG21 HD13 ' A' ' 23' ' ' LEU . 8.9 pt -120.42 134.05 65.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.18 158.91 15.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.317 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.738 HG12 HD23 ' A' ' 67' ' ' LEU . 1.6 t -123.72 112.46 33.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.438 1.086 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.54 ' CD1' ' O ' ' A' ' 19' ' ' LEU . 11.8 p90 -138.01 158.68 70.79 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 110.985 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -179.3 4.86 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.483 1.781 . . . . 0.0 111.03 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.422 ' OE1' ' NH2' ' A' ' 17' ' ' ARG . 6.7 tt0 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.2 m -152.73 -56.92 0.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 0.762 . . . . 0.0 110.008 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.4 t 62.8 131.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 110.004 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.21 106.31 0.23 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.462 1.101 . . . . 0.0 111.02 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -142.58 154.39 44.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 0.766 . . . . 0.0 110.031 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 m -68.05 -58.47 4.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 110.016 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -48.75 -86.01 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.53 1.144 . . . . 0.0 111.016 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 68.46 68.72 1.56 Allowed Glycine 0 CA--C 1.531 1.049 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 172.23 16.77 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.533 1.807 . . . . 0.0 110.997 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 76.55 3.38 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.506 1.793 . . . . 0.0 110.972 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 11.7 t -93.72 149.34 21.31 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.512 1.133 . . . . 0.0 110.384 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -119.06 87.85 2.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.321 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.7 mmm180 -53.38 -25.57 16.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 110.271 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 17.3 m -143.3 174.79 10.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.999 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -105.79 -41.36 5.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -75.55 104.94 6.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.98 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.55 178.13 6.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 110.314 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 1.055 HG23 HG23 ' A' ' 55' ' ' VAL . 14.7 m -139.12 123.06 19.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.239 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 20.3 mt -83.59 126.5 32.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.628 HG13 ' HB ' ' A' ' 85' ' ' ILE . 40.4 t -114.05 128.17 71.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 109.261 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.405 ' O ' ' HA ' ' A' ' 85' ' ' ILE . 0.4 OUTLIER -135.76 148.37 48.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.049 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 51' ' ' GLY . . . 95.42 30.99 7.77 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.506 1.129 . . . . 0.0 111.006 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.48 ' HG ' HG21 ' A' ' 85' ' ' ILE . 2.9 mt -77.3 157.59 80.47 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.51 0.77 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 169.55 22.35 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.485 1.782 . . . . 0.0 111.011 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -13.91 21.37 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.453 1.765 . . . . 0.0 110.977 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.4 m -111.82 -10.25 14.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.002 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -52.47 147.67 13.45 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.478 1.111 . . . . 0.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 78.8 p -127.62 -177.87 4.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 0.787 . . . . 0.0 109.991 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.524 ' CZ3' ' HG2' ' A' ' 30' ' ' GLN . 44.7 p-90 -92.2 -31.14 15.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 107.977 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.524 ' HG2' ' CZ3' ' A' ' 29' ' ' TRP . 91.4 mt-30 -56.76 -64.11 0.98 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.473 1.108 . . . . 0.0 110.313 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.09 -43.05 95.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.249 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.745 HD23 ' C ' ' A' ' 32' ' ' LEU . 2.2 tt -52.28 -51.25 59.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.502 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 4.8 tttt -56.23 -62.2 1.87 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.142 . . . . 0.0 109.322 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -41.27 -28.47 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.418 ' N ' ' O ' ' A' ' 33' ' ' LYS . 4.7 t60 -83.93 -61.31 1.85 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.574 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.74 ' HG3' HG21 ' A' ' 55' ' ' VAL . 27.6 mmm -50.6 -39.46 49.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 110.981 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.502 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 1.4 mmm180 -43.91 -24.81 0.16 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 110.306 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.49 ' C ' ' O ' ' A' ' 37' ' ' ARG . 5.2 mm-40 -31.65 -40.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.299 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 1.047 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . . . -64.82 -81.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -142.11 -119.0 1.44 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.442 1.089 . . . . 0.0 110.966 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.74 ' HB3' HD13 ' A' ' 58' ' ' LEU . 8.1 t0 -106.82 134.56 49.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 0.756 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.732 HG11 HG12 ' A' ' 55' ' ' VAL . 15.6 t -100.35 119.16 48.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 23.2 p -92.35 -24.86 18.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 108.29 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -131.16 136.64 48.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 110.99 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -152.2 111.85 3.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -139.3 153.23 47.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.341 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.425 HG12 ' HB3' ' A' ' 29' ' ' TRP . 14.7 p -141.85 143.83 26.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -124.76 170.3 11.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.322 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.99 -171.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 73.46 -59.68 0.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.427 ' O ' ' N ' ' A' ' 22' ' ' GLY . . . 141.0 45.19 0.06 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.5 1.125 . . . . 0.0 110.955 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.424 ' HE3' ' O ' ' A' ' 20' ' ' VAL . 0.9 OUTLIER -119.84 160.99 21.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 0.775 . . . . 0.0 110.981 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -154.47 173.33 32.96 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.469 1.106 . . . . 0.0 110.99 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.442 ' HE3' ' CG ' ' A' ' 56' ' ' GLU . 2.6 ttp -155.08 133.53 11.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.543 0.79 . . . . 0.0 110.937 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 1.055 HG23 HG23 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -139.18 141.15 36.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.266 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.442 ' CG ' ' HE3' ' A' ' 54' ' ' MET . 3.0 mt-10 -121.44 135.17 55.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 110.315 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.684 ' CE1' ' HB3' ' A' ' 39' ' ' ALA . 38.4 m-85 -104.46 168.67 8.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.568 1.168 . . . . 0.0 111.009 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.74 HD13 ' HB3' ' A' ' 41' ' ' ASP . 3.7 mp -96.82 -17.67 20.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 32.7 mmt180 -122.09 145.5 48.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.338 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 32.8 tttt -63.29 -55.11 27.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.36 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -43.24 -50.92 6.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.335 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -44.15 -51.77 7.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.25 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.476 ' HG2' HD11 ' A' ' 67' ' ' LEU . 9.8 ttp -51.64 -67.16 0.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.989 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.444 ' HA ' HD12 ' A' ' 67' ' ' LEU . 16.1 mt-10 -53.69 -46.39 70.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.113 . . . . 0.0 110.24 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.573 ' CD1' ' HA ' ' A' ' 39' ' ' ALA . 28.7 t80 -50.09 -66.03 0.46 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 111.019 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 1.047 ' HB2' ' HB2' ' A' ' 39' ' ' ALA . . . -57.79 -38.08 74.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.625 HD23 HG12 ' A' ' 87' ' ' VAL . 19.7 mt -50.87 -58.1 6.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.258 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.455 ' O ' ' C ' ' A' ' 69' ' ' LYS . 7.2 mmt180 -72.9 -66.33 0.68 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.284 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.455 ' C ' ' O ' ' A' ' 68' ' ' ARG . 13.9 mptt -35.56 -61.1 0.47 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.839 ' O ' HG23 ' A' ' 73' ' ' THR . 21.2 mt -66.22 -62.09 1.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.259 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.635 ' C ' ' O ' ' A' ' 70' ' ' LEU . 34.0 t70 17.96 88.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 44.3 t0 63.96 106.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.429 1.081 . . . . 0.0 109.281 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.839 HG23 ' O ' ' A' ' 70' ' ' LEU . 5.4 p -140.46 170.2 16.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 0.0 110.407 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 21.9 tttt -95.72 99.3 11.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.421 ' CE1' ' HA ' ' A' ' 32' ' ' LEU . 44.6 t80 -89.48 129.64 35.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.942 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.6 ttt180 -98.83 121.42 40.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 110.294 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 52.7 p -72.87 178.51 4.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 110.017 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -79.08 -6.6 56.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.587 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -104.28 12.65 33.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 0.0 110.317 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 87.8 -41.57 3.08 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.559 1.162 . . . . 0.0 111.032 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -43.46 165.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 0.75 . . . . 0.0 110.288 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.41 ' HA ' ' O ' ' A' ' 75' ' ' PHE . 67.8 p -141.5 165.9 26.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.399 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 37.6 m -162.38 153.85 18.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.998 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -89.27 106.84 18.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.991 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.628 ' HB ' HG13 ' A' ' 20' ' ' VAL . 4.2 pt -105.94 129.57 58.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -90.9 152.01 20.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.255 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.773 HG21 ' HB2' ' A' ' 70' ' ' LEU . 1.8 t -118.25 113.44 42.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.496 ' HA ' HD22 ' A' ' 67' ' ' LEU . 11.0 p90 -144.89 159.61 49.6 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.977 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 178.12 7.7 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.519 1.8 . . . . 0.0 110.99 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -105.74 122.32 45.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.61 151.41 39.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.326 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 89.8 p -177.24 95.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.028 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 40.34 79.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.953 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.97 159.15 43.99 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.537 1.148 . . . . 0.0 110.999 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -47.27 0.21 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.491 1.785 . . . . 0.0 110.958 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 71.74 -59.62 0.55 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.988 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 56.7 p -159.61 131.44 6.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.01 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.447 1.092 . . . . 0.0 110.992 -179.999 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.8 p -157.36 96.96 1.59 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 0.747 . . . . 0.0 109.99 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -128.88 95.44 4.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 110.042 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.83 -71.24 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.534 1.146 . . . . 0.0 110.967 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 59.6 95.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 0.744 . . . . 0.0 110.011 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.4 t 61.94 85.84 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 109.959 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.54 100.35 0.19 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.535 1.147 . . . . 0.0 110.979 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 60.11 97.12 0.01 OUTLIER Glycine 0 CA--C 1.531 1.035 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 151.78 40.0 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.522 1.801 . . . . 0.0 111.048 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 143.29 28.98 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.525 1.803 . . . . 0.0 111.016 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.2 t -70.82 150.97 45.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.456 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.75 33.41 1.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.298 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 28.8 mtp180 -61.73 -17.09 54.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 110.28 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.53 ' HB3' ' CD2' ' A' ' 16' ' ' PHE . 60.2 m -161.5 172.69 16.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.965 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.566 ' O ' ' CD1' ' A' ' 16' ' ' PHE . 1.1 m-20 -132.18 68.69 1.49 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.566 ' CD1' ' O ' ' A' ' 15' ' ' ASP . 11.2 m-85 -150.92 109.43 3.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 110.992 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.446 ' NH1' ' OE1' ' A' ' 90' ' ' GLU . 0.1 OUTLIER -139.18 177.85 7.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.27 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.867 HG23 HG23 ' A' ' 55' ' ' VAL . 29.8 m -136.47 126.12 38.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.263 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.6 mt -84.76 123.88 30.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.299 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 92.4 t -107.11 137.23 39.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.421 ' O ' ' HA ' ' A' ' 85' ' ' ILE . 0.5 OUTLIER -146.53 152.65 39.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.988 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.489 ' C ' HG22 ' A' ' 85' ' ' ILE . . . 87.53 34.88 9.84 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.459 1.099 . . . . 0.0 111.013 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.403 ' HG ' HG21 ' A' ' 85' ' ' ILE . 2.2 mt -81.0 157.46 71.32 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.514 0.773 . . . . 0.0 109.314 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 170.83 19.55 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.502 1.791 . . . . 0.0 111.009 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -12.05 21.51 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.471 1.774 . . . . 0.0 110.975 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.8 p -113.71 -8.48 13.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.565 1.165 . . . . 0.0 109.982 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -50.24 145.85 9.03 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.471 1.107 . . . . 0.0 110.992 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.8 m -128.1 -177.49 4.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 0.763 . . . . 0.0 110.001 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.632 ' CH2' ' NE2' ' A' ' 30' ' ' GLN . 62.1 p-90 -90.96 -41.75 10.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 108.03 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.632 ' NE2' ' CH2' ' A' ' 29' ' ' TRP . 10.6 mm-40 -48.54 -71.62 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 110.312 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.73 -43.14 65.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.693 HD23 ' C ' ' A' ' 32' ' ' LEU . 3.5 tt -52.26 -54.0 36.83 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.482 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 7.2 ttpt -55.35 -59.98 4.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -42.1 -27.34 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.42 ' N ' ' C ' ' A' ' 33' ' ' LYS . 4.1 t60 -86.42 -56.55 3.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.644 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.716 ' HG3' HG21 ' A' ' 55' ' ' VAL . 28.4 mmm -55.8 -40.19 72.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 111.031 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.486 ' O ' ' C ' ' A' ' 38' ' ' GLU . 7.0 mmm-85 -41.08 -26.61 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.325 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.486 ' C ' ' O ' ' A' ' 37' ' ' ARG . 0.4 OUTLIER -31.74 -40.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.299 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 1.031 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . . . -60.82 -80.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -147.61 -108.87 0.53 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.477 1.111 . . . . 0.0 111.02 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -114.53 129.73 56.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 0.749 . . . . 0.0 109.287 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.643 HG11 HG12 ' A' ' 55' ' ' VAL . 7.9 t -101.36 119.75 49.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 10.7 t -95.52 -29.26 14.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 108.286 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.47 ' CB ' ' OE1' ' A' ' 56' ' ' GLU . 6.7 t80 -125.66 132.16 52.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -152.14 114.22 4.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -135.95 155.78 49.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.294 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.448 HG12 ' HB3' ' A' ' 29' ' ' TRP . 10.9 p -142.18 140.87 29.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -123.45 170.64 10.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.32 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.12 -172.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 74.16 -58.94 0.57 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 139.79 44.75 0.07 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -117.71 161.21 20.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 0.788 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -154.93 169.7 33.09 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.454 1.097 . . . . 0.0 111.001 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.468 ' CE ' ' HG3' ' A' ' 56' ' ' GLU . 1.2 ttp -154.8 127.57 8.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 0.785 . . . . 0.0 110.987 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.867 HG23 HG23 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -135.75 138.24 48.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 109.319 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.47 ' OE1' ' CB ' ' A' ' 44' ' ' TYR . 40.9 mt-10 -111.99 149.15 32.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.345 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.927 ' CE1' ' HB3' ' A' ' 39' ' ' ALA . 44.4 m-85 -121.14 146.41 46.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 110.963 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.454 HD22 ' N ' ' A' ' 58' ' ' LEU . 2.2 mm? -83.6 -5.22 59.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 109.269 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 9.7 mmt180 -129.67 133.27 47.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 110.278 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 75.0 tttt -57.41 -53.07 62.33 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -48.62 -55.53 10.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.155 . . . . 0.0 110.336 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.41 ' O ' ' HB3' ' A' ' 65' ' ' TYR . 81.6 m-20 -40.06 -53.04 2.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.534 ' HA ' ' CD2' ' A' ' 57' ' ' TYR . 17.0 ttp -49.25 -61.96 1.8 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 111.023 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.422 ' HA ' HD12 ' A' ' 67' ' ' LEU . 13.5 mt-10 -59.36 -45.27 91.89 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 110.276 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.568 ' CD1' ' HA ' ' A' ' 39' ' ' ALA . 18.0 t80 -50.47 -62.04 1.83 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 111.001 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 1.031 ' HB2' ' HB2' ' A' ' 39' ' ' ALA . . . -60.08 -38.29 82.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.816 HD23 HG12 ' A' ' 87' ' ' VAL . 18.7 mt -51.77 -56.18 15.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.453 ' O ' ' C ' ' A' ' 69' ' ' LYS . 11.2 mmt180 -72.97 -66.92 0.61 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 110.288 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 68' ' ' ARG . 9.9 mptt -35.93 -60.79 0.52 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.87 ' O ' HG23 ' A' ' 73' ' ' THR . 20.5 mt -65.78 -62.68 1.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 109.27 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.633 ' C ' ' O ' ' A' ' 70' ' ' LEU . 36.1 t0 18.46 90.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.3 t70 60.86 106.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.87 HG23 ' O ' ' A' ' 70' ' ' LEU . 3.0 p -138.2 178.03 7.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 110.391 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -101.93 99.2 9.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 109.257 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -83.57 149.35 26.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 111.02 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 45.3 ttp85 -123.64 114.99 20.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 74.8 p -72.02 173.89 7.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.966 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -72.5 -15.29 61.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.611 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -96.18 5.35 51.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.304 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 92.91 -41.48 2.72 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.493 1.12 . . . . 0.0 111.044 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -38.81 139.32 0.45 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 0.781 . . . . 0.0 110.251 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 77.6 p -124.11 155.12 38.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 110.379 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 83.0 p -156.08 164.15 38.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.035 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -96.92 109.13 21.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.093 . . . . 0.0 110.974 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.489 HG22 ' C ' ' A' ' 22' ' ' GLY . 5.9 pt -107.89 130.37 60.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.127 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.64 152.23 20.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.269 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.816 HG12 HD23 ' A' ' 67' ' ' LEU . 2.0 t -117.25 115.86 50.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.514 ' HA ' HD22 ' A' ' 67' ' ' LEU . 10.9 p90 -146.37 158.01 48.0 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.122 . . . . 0.0 110.933 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 178.65 6.99 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.498 1.788 . . . . 0.0 111.013 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.446 ' OE1' ' NH1' ' A' ' 17' ' ' ARG . 1.4 tt0 -101.94 80.68 2.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.112 . . . . 0.0 110.29 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.02 166.68 0.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 110.278 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.7 t -108.49 124.75 50.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.005 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 64.19 126.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 110.005 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -57.67 126.61 42.73 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.476 1.11 . . . . 0.0 111.008 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 63.67 6.03 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.512 1.796 . . . . 0.0 111.019 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 25.0 m 41.09 91.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.019 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 8.9 t -68.47 157.11 36.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.003 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 O-C-N 124.45 1.094 . . . . 0.0 110.994 -179.967 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.9 m -126.57 -58.49 1.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 0.76 . . . . 0.0 110.037 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.8 p -96.66 165.79 11.97 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.47 1.106 . . . . 0.0 109.978 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.87 74.9 1.28 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.524 1.14 . . . . 0.0 111.034 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.98 -57.34 1.52 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 0.766 . . . . 0.0 110.01 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.41 145.45 26.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.989 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.23 -74.68 1.28 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.462 1.101 . . . . 0.0 110.934 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -153.43 75.27 0.23 Allowed Glycine 0 CA--C 1.53 1.009 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 164.86 32.51 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.499 1.789 . . . . 0.0 111.021 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 83.54 1.8 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.482 1.78 . . . . 0.0 111.017 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 58.5 m -68.92 98.19 0.92 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.546 1.154 . . . . 0.0 110.406 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.84 81.71 1.48 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 110.294 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -139.86 176.59 8.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.28 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.8 m -42.33 153.84 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.973 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.529 ' O ' ' CD1' ' A' ' 16' ' ' PHE . 0.5 OUTLIER -118.13 70.35 0.8 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.137 . . . . 0.0 109.258 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.529 ' CD1' ' O ' ' A' ' 15' ' ' ASP . 29.1 m-85 -148.16 107.04 3.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.095 . . . . 0.0 110.981 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.57 177.7 7.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 110.268 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.88 HG23 HG23 ' A' ' 55' ' ' VAL . 27.8 m -137.93 124.8 27.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.675 HD11 ' HG2' ' A' ' 90' ' ' GLU . 15.0 mt -83.67 128.04 34.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.552 HG13 ' HB ' ' A' ' 85' ' ' ILE . 70.4 t -112.26 135.96 49.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.342 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 75.1 p -143.34 138.99 29.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.957 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.416 ' O ' HG22 ' A' ' 85' ' ' ILE . . . 99.23 51.0 1.38 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.522 1.139 . . . . 0.0 111.021 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.451 HD23 ' CD2' ' A' ' 75' ' ' PHE . 1.7 mt -100.38 157.22 34.18 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.505 0.767 . . . . 0.0 109.273 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.41 ' CG ' ' HB3' ' A' ' 77' ' ' SER . 18.4 Cg_endo -75.0 168.17 25.43 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.463 1.77 . . . . 0.0 111.039 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -12.97 21.55 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.482 1.78 . . . . 0.0 111.024 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.7 m -109.89 -14.41 14.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.021 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -47.33 155.57 0.92 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.461 1.101 . . . . 0.0 111.009 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 45.6 m -134.67 174.64 10.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 0.779 . . . . 0.0 109.991 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.542 ' HB3' HG12 ' A' ' 47' ' ' VAL . 56.4 p-90 -81.41 -42.77 19.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 108.01 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.525 ' CG ' ' CH2' ' A' ' 29' ' ' TRP . 29.1 mt-30 -48.79 -72.37 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.06 -42.53 60.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.829 HD23 ' C ' ' A' ' 32' ' ' LEU . 0.8 OUTLIER -53.12 -48.4 67.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.504 ' N ' HD23 ' A' ' 32' ' ' LEU . 21.8 ttpt -59.64 -59.2 5.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -40.18 -29.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.434 ' N ' ' O ' ' A' ' 33' ' ' LYS . 5.7 t60 -83.0 -47.88 11.25 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.419 1.074 . . . . 0.0 109.6 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.756 ' HG3' HG21 ' A' ' 55' ' ' VAL . 29.8 mmm -62.87 -41.36 99.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.966 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.485 ' O ' ' C ' ' A' ' 38' ' ' GLU . 14.5 mtm180 -40.66 -26.96 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.283 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.485 ' C ' ' O ' ' A' ' 37' ' ' ARG . 0.4 OUTLIER -31.0 -40.61 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.299 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 1.02 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . . . -63.88 -81.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -147.15 -115.86 0.9 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.505 1.128 . . . . 0.0 111.031 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -105.5 134.85 47.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 0.748 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.452 HG11 HG12 ' A' ' 55' ' ' VAL . 2.8 t -103.95 126.36 58.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.488 ' HB2' HD11 ' A' ' 58' ' ' LEU . 4.5 t -99.26 -32.84 11.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 108.306 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.408 ' CB ' ' HB2' ' A' ' 56' ' ' GLU . 14.8 t80 -121.02 140.04 52.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -151.61 113.14 4.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -140.8 148.44 40.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.419 1.074 . . . . 0.0 109.292 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.542 HG12 ' HB3' ' A' ' 29' ' ' TRP . 7.0 p -131.2 137.73 54.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -105.97 164.43 11.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.288 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.462 ' O ' ' CB ' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -67.93 175.89 2.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 109.338 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.462 ' CB ' ' O ' ' A' ' 49' ' ' LYS . 8.2 t70 79.53 -58.04 0.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.269 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 151.36 44.29 0.02 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.49 1.119 . . . . 0.0 111.006 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.47 ' O ' HG23 ' A' ' 47' ' ' VAL . 0.8 OUTLIER -111.56 158.62 19.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 0.767 . . . . 0.0 110.992 -179.942 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -148.69 158.1 27.54 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.484 1.115 . . . . 0.0 110.966 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.521 ' CE ' ' CG ' ' A' ' 56' ' ' GLU . 0.4 OUTLIER -150.04 132.28 15.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 0.746 . . . . 0.0 110.973 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.88 HG23 HG23 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -141.58 138.4 32.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 109.29 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.521 ' CG ' ' CE ' ' A' ' 54' ' ' MET . 9.5 mt-10 -117.82 123.36 45.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.097 . . . . 0.0 110.311 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.707 ' CE1' ' HB3' ' A' ' 39' ' ' ALA . 51.1 m-85 -91.11 162.54 14.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 110.941 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.49 HD22 ' N ' ' A' ' 58' ' ' LEU . 2.9 mm? -83.25 -38.78 21.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.432 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 11.0 mmp_? -99.81 -174.42 2.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 110.297 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 44.9 tttt -99.5 -57.95 2.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -43.58 -50.32 7.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.288 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' A' ' 59' ' ' ARG . 2.2 p30 -45.92 -48.84 16.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.558 ' HA ' ' CD2' ' A' ' 57' ' ' TYR . 26.6 ttp -56.07 -65.94 0.51 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 111.042 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -52.27 -45.61 65.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.313 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.583 ' CD1' ' HA ' ' A' ' 39' ' ' ALA . 17.9 t80 -50.41 -61.8 1.97 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 110.972 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 1.02 ' HB2' ' HB2' ' A' ' 39' ' ' ALA . . . -59.98 -38.87 83.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.95 HD23 HG12 ' A' ' 87' ' ' VAL . 19.7 mt -51.59 -55.3 20.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.466 ' O ' ' C ' ' A' ' 69' ' ' LYS . 26.3 mmt85 -73.86 -67.89 0.56 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.466 ' C ' ' O ' ' A' ' 68' ' ' ARG . 9.6 mptt -35.27 -59.5 0.52 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.345 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.762 ' HB2' HG21 ' A' ' 87' ' ' VAL . 17.0 mt -66.7 -61.27 2.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.344 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.655 ' C ' ' O ' ' A' ' 70' ' ' LEU . 27.0 t70 15.04 80.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.407 ' CB ' ' O ' ' A' ' 71' ' ' ASP . 7.5 t0 75.04 100.86 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.334 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.712 HG23 ' O ' ' A' ' 70' ' ' LEU . 17.2 p -133.66 168.35 18.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 110.405 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.1 tttt -97.15 100.82 12.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.451 ' CD2' HD23 ' A' ' 23' ' ' LEU . 54.2 t80 -88.77 127.28 35.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.565 1.165 . . . . 0.0 111.007 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 28.5 ttp180 -96.65 114.03 25.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.33 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.41 ' HB3' ' CG ' ' A' ' 24' ' ' PRO . 46.7 p -65.59 159.03 25.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 110.001 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -62.43 -15.47 49.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.632 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -94.55 5.78 50.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.271 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 94.22 -39.81 2.85 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.477 1.11 . . . . 0.0 110.997 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -43.29 136.73 2.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 0.752 . . . . 0.0 110.293 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.9 p -114.24 143.38 44.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.39 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 60.1 m -145.96 161.33 40.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 110.003 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -98.06 120.25 38.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 0.0 110.998 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.552 ' HB ' HG13 ' A' ' 20' ' ' VAL . 4.8 pt -114.3 130.15 69.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.29 144.76 25.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.323 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.95 HG12 HD23 ' A' ' 67' ' ' LEU . 2.0 t -114.47 120.1 63.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.26 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 24.0 p90 -151.12 156.8 35.39 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 171.31 18.57 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.462 1.77 . . . . 0.0 110.994 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.675 ' HG2' HD11 ' A' ' 19' ' ' LEU . 0.3 OUTLIER -83.78 118.39 23.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.317 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -158.4 150.95 22.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.31 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 22.7 t -86.18 -60.73 1.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.033 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 67.4 m 64.98 81.58 0.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.008 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -119.02 -119.96 2.88 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.46 1.1 . . . . 0.0 111.023 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 123.18 7.67 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.486 1.782 . . . . 0.0 110.959 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 10.3 t -168.25 154.95 7.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.152 . . . . 0.0 109.985 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 48.0 t -78.79 -59.16 2.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.044 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 O-C-N 124.497 1.123 . . . . 0.0 110.992 -179.989 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.7 t 71.33 -60.49 0.51 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 0.759 . . . . 0.0 110.016 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.7 t -46.6 139.51 5.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.142 . . . . 0.0 110.03 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.42 -77.57 0.07 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.518 1.136 . . . . 0.0 110.97 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.6 p -63.32 159.37 18.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 0.791 . . . . 0.0 110.036 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -132.83 104.88 6.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 110.041 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.92 90.4 0.17 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.521 1.138 . . . . 0.0 110.957 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 62.0 85.75 0.05 OUTLIER Glycine 0 CA--C 1.529 0.951 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 163.27 35.59 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.467 1.772 . . . . 0.0 110.956 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 167.67 26.53 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.498 1.788 . . . . 0.0 111.038 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.8 m 63.28 107.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 110.393 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.59 46.51 1.69 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.287 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.1 mmm180 -55.14 -20.6 10.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 110.319 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 9.8 m -167.03 158.35 12.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.016 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.45 ' O ' ' CD1' ' A' ' 16' ' ' PHE . 21.0 m-20 -107.12 58.3 0.63 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.45 ' CD1' ' O ' ' A' ' 15' ' ' ASP . 37.9 m-85 -147.78 90.92 1.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 111.009 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.416 ' HB3' ' CG ' ' A' ' 56' ' ' GLU . 4.1 ptp180 -116.83 177.34 4.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.33 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.901 HG23 HG23 ' A' ' 55' ' ' VAL . 14.6 m -134.48 124.82 45.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.413 HD11 ' HG2' ' A' ' 90' ' ' GLU . 13.6 mt -82.79 127.54 33.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.441 ' CG1' HD11 ' A' ' 23' ' ' LEU . 12.9 t -114.15 134.36 57.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 9.0 p -141.83 153.22 44.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.036 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.54 ' C ' HG22 ' A' ' 85' ' ' ILE . . . 87.99 40.57 6.58 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.543 1.152 . . . . 0.0 111.007 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.51 HD23 ' CD2' ' A' ' 75' ' ' PHE . 3.7 mt -90.73 158.41 42.46 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.489 0.758 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 171.01 19.15 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.51 1.795 . . . . 0.0 110.993 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -21.79 15.47 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.498 1.788 . . . . 0.0 111.024 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.5 m -104.63 -8.63 18.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.015 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -57.36 136.78 50.27 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.516 1.135 . . . . 0.0 110.977 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.4 m -114.4 177.04 4.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 0.773 . . . . 0.0 109.981 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.695 ' HB3' HG22 ' A' ' 47' ' ' VAL . 51.1 p-90 -84.34 -36.56 22.44 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.448 ' HG3' ' CZ3' ' A' ' 29' ' ' TRP . 52.0 mt-30 -50.38 -73.21 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 110.295 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -49.67 -39.24 35.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 109.263 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.807 HD23 ' C ' ' A' ' 32' ' ' LEU . 0.9 OUTLIER -57.01 -48.99 77.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.518 ' N ' HD23 ' A' ' 32' ' ' LEU . 9.6 ttpt -57.79 -56.08 26.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -47.51 -23.84 0.72 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -88.81 -48.62 7.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 109.597 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.649 ' HG3' HG21 ' A' ' 55' ' ' VAL . 28.3 mmm -63.51 -40.54 97.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 111.004 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.501 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 1.4 mtm180 -42.21 -25.56 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 110.3 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.493 ' C ' ' O ' ' A' ' 37' ' ' ARG . 0.4 OUTLIER -31.22 -40.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 110.295 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 1.019 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . . . -63.35 -83.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -140.31 -122.74 1.94 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.499 1.124 . . . . 0.0 110.997 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -107.12 130.26 54.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 0.735 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.459 HG11 HG12 ' A' ' 55' ' ' VAL . 21.5 t -90.78 133.44 32.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.462 ' HB2' HD21 ' A' ' 58' ' ' LEU . 22.8 t -99.32 -32.13 11.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 108.317 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -140.92 139.72 34.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 111.014 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -144.01 128.15 17.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -144.17 161.64 38.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.695 HG22 ' HB3' ' A' ' 29' ' ' TRP . 0.9 OUTLIER -133.69 152.32 34.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.328 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -124.43 162.52 23.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.298 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.402 ' O ' ' CB ' ' A' ' 50' ' ' ASP . 2.2 pttp -65.89 178.08 1.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.402 ' CB ' ' O ' ' A' ' 49' ' ' LYS . 0.9 OUTLIER 75.03 -57.89 0.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 22' ' ' GLY . . . 149.36 44.4 0.03 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.531 1.144 . . . . 0.0 111.008 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -113.66 160.93 18.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 0.774 . . . . 0.0 110.982 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -152.16 167.06 31.19 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.475 1.11 . . . . 0.0 110.977 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -152.01 136.22 16.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 0.76 . . . . 0.0 110.979 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.901 HG23 HG23 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -142.07 130.92 22.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.416 ' CG ' ' HB3' ' A' ' 17' ' ' ARG . 1.4 mt-10 -110.52 113.24 25.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.297 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.578 ' CE1' ' HB3' ' A' ' 39' ' ' ALA . 25.1 m-85 -82.01 176.28 9.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 111.003 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.462 HD21 ' HB2' ' A' ' 43' ' ' CYS . 13.0 mt -105.54 -11.87 16.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 16.1 mmm180 -129.51 144.42 51.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 110.338 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 20.3 tttp -67.43 -53.45 28.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.239 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -48.49 -38.12 19.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.265 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 -59.6 -45.42 91.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.522 ' HG3' HG13 ' A' ' 18' ' ' VAL . 9.4 ttp -54.91 -60.58 3.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 111.033 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -56.76 -45.28 82.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.341 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.58 ' CD1' ' HA ' ' A' ' 39' ' ' ALA . 18.2 t80 -51.03 -62.16 1.79 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.978 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 1.019 ' HB2' ' HB2' ' A' ' 39' ' ' ALA . . . -59.73 -39.79 85.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.582 1.176 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.877 HD23 HG12 ' A' ' 87' ' ' VAL . 18.5 mt -51.03 -55.46 17.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.465 ' O ' ' C ' ' A' ' 69' ' ' LYS . 22.0 mmm180 -73.12 -68.4 0.49 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.267 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.465 ' C ' ' O ' ' A' ' 68' ' ' ARG . 1.1 mptp? -34.97 -60.65 0.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.083 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.752 ' O ' HG23 ' A' ' 73' ' ' THR . 20.4 mt -65.36 -62.06 1.75 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.262 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.658 ' C ' ' O ' ' A' ' 70' ' ' LEU . 29.1 t70 15.97 86.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.405 ' OD1' ' CD2' ' A' ' 84' ' ' TYR . 7.6 t0 68.77 104.49 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.752 HG23 ' O ' ' A' ' 70' ' ' LEU . 9.9 p -136.69 171.45 14.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 110.398 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.404 ' HE3' HG21 ' A' ' 82' ' ' THR . 14.1 tttt -99.0 99.48 10.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.51 ' CD2' HD23 ' A' ' 23' ' ' LEU . 50.1 t80 -87.08 127.88 35.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.113 . . . . 0.0 111.004 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 21.9 ttp180 -99.87 111.83 24.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.427 1.08 . . . . 0.0 110.308 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 23.7 p -64.06 159.73 19.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.581 1.176 . . . . 0.0 109.963 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -61.46 -18.04 57.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.608 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -87.51 -3.03 59.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 98.66 -29.92 10.66 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.527 1.142 . . . . 0.0 110.955 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -49.12 156.06 0.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 0.785 . . . . 0.0 110.319 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.404 HG21 ' HE3' ' A' ' 74' ' ' LYS . 10.0 p -125.24 157.41 36.61 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 110.425 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 38.1 m -163.5 152.48 14.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.029 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.405 ' CD2' ' OD1' ' A' ' 72' ' ' ASP . 0.1 OUTLIER -94.35 111.43 23.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.962 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.54 HG22 ' C ' ' A' ' 22' ' ' GLY . 12.0 pt -109.89 132.84 57.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.277 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.22 152.57 19.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.349 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.877 HG12 HD23 ' A' ' 67' ' ' LEU . 1.9 t -117.86 114.36 45.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.444 1.09 . . . . 0.0 109.32 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.423 ' HA ' HD22 ' A' ' 67' ' ' LEU . 12.4 p90 -144.84 156.68 55.58 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -177.09 3.23 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.476 1.777 . . . . 0.0 110.984 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.413 ' HG2' HD11 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -91.27 87.16 6.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 110.313 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.79 155.94 46.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.282 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 99.6 p -170.96 151.18 3.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.969 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 9.6 t -42.77 155.73 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.01 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 165.13 -154.88 25.94 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.514 1.134 . . . . 0.0 110.971 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 168.44 24.82 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.473 1.775 . . . . 0.0 111.029 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.62 78.8 0.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.978 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 34.4 t -179.05 131.2 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.001 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.526 1.141 . . . . 0.0 111.005 179.992 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 59.07 102.23 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 0.783 . . . . 0.0 109.982 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.3 m -143.17 168.84 18.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 109.957 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.94 122.82 13.86 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.546 1.154 . . . . 0.0 110.999 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.7 p -128.44 144.84 51.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 0.785 . . . . 0.0 109.996 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 m -169.94 117.59 0.57 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.977 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 53.03 -138.74 34.57 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.48 1.112 . . . . 0.0 111.017 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 40.7 -103.83 0.04 OUTLIER Glycine 0 CA--C 1.531 1.056 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.415 ' HA ' ' HD3' ' A' ' 10' ' ' PRO . 18.2 Cg_endo -75.08 151.45 39.17 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.511 1.795 . . . . 0.0 110.993 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 9' ' ' PRO . 18.1 Cg_endo -75.03 177.6 8.38 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.511 1.795 . . . . 0.0 110.956 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.466 HG22 ' HD3' ' A' ' 13' ' ' ARG . 19.8 m -53.04 -66.18 0.43 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.379 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 55.91 70.71 0.61 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.309 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.466 ' HD3' HG22 ' A' ' 11' ' ' THR . 0.2 OUTLIER -141.33 -179.59 6.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.429 1.081 . . . . 0.0 110.337 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 50.1 m -49.73 176.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.968 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.593 ' O ' ' CD1' ' A' ' 16' ' ' PHE . 7.8 m-20 -124.67 62.92 1.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.345 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.593 ' CD1' ' O ' ' A' ' 15' ' ' ASP . 53.2 m-85 -156.55 104.2 2.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.987 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.3 ptp85 -129.06 177.71 6.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.319 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.958 HG23 HG23 ' A' ' 55' ' ' VAL . 21.2 m -132.74 122.97 48.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.528 ' O ' ' CD1' ' A' ' 88' ' ' TYR . 7.6 mt -82.48 124.25 29.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.272 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.435 ' O ' ' N ' ' A' ' 53' ' ' GLY . 79.6 t -110.07 140.26 29.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 93.3 p -149.03 129.06 13.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.97 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.622 ' O ' HG22 ' A' ' 85' ' ' ILE . . . 110.78 48.37 0.74 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.497 1.123 . . . . 0.0 111.025 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.904 HD12 ' O ' ' A' ' 51' ' ' GLY . 5.4 mt -91.79 157.46 41.55 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.507 0.769 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 170.15 21.05 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.513 1.796 . . . . 0.0 110.974 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -13.26 21.38 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.529 1.805 . . . . 0.0 111.03 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.407 ' CB ' ' HB2' ' A' ' 79' ' ' GLU . 42.0 p -113.94 -12.52 12.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 109.995 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -51.28 158.02 2.54 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.502 1.126 . . . . 0.0 111.019 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 58.7 m -141.21 173.37 11.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 0.75 . . . . 0.0 110.001 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.569 ' CZ2' ' HG3' ' A' ' 30' ' ' GLN . 47.3 p-90 -77.52 -44.62 28.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 108.018 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.569 ' HG3' ' CZ2' ' A' ' 29' ' ' TRP . 47.2 mt-30 -45.95 -73.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.327 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.423 ' HB3' ' CE1' ' A' ' 75' ' ' PHE . 0.5 OUTLIER -49.93 -47.85 52.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.26 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.809 HD23 ' C ' ' A' ' 32' ' ' LEU . 1.0 OUTLIER -47.45 -48.2 26.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.492 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 12.8 ttpt -56.62 -60.54 3.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -40.72 -29.09 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.428 ' N ' ' O ' ' A' ' 33' ' ' LYS . 4.4 t60 -84.77 -60.03 2.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.581 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.747 ' HG3' HG21 ' A' ' 55' ' ' VAL . 27.2 mmm -51.52 -38.32 53.54 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.097 . . . . 0.0 111.013 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.492 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 6.6 mmm180 -44.2 -25.01 0.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 110.288 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.476 ' C ' ' O ' ' A' ' 37' ' ' ARG . 3.4 mm-40 -32.04 -40.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.298 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 1.093 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . . . -61.19 -82.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -142.74 -106.17 0.57 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.453 1.096 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.444 ' HB3' HD23 ' A' ' 58' ' ' LEU . 24.8 t0 -120.37 131.24 54.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 0.762 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.512 HG11 HG12 ' A' ' 55' ' ' VAL . 9.8 t -96.47 119.14 44.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.618 ' HB2' HD11 ' A' ' 58' ' ' LEU . 19.3 t -88.26 -20.28 25.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 108.306 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 52.4 t80 -150.39 141.75 23.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.983 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -151.35 114.87 4.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -131.5 167.22 19.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.477 HG23 ' HB3' ' A' ' 29' ' ' TRP . 52.0 t -142.01 143.2 27.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -118.69 166.36 12.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.56 ' O ' ' CB ' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -62.55 165.74 5.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.166 . . . . 0.0 109.287 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.56 ' CB ' ' O ' ' A' ' 49' ' ' LYS . 3.0 t0 88.02 -37.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.904 ' O ' HD12 ' A' ' 23' ' ' LEU . . . 130.32 -1.65 5.73 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.523 1.139 . . . . 0.0 111.027 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.19 161.48 13.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.566 0.804 . . . . 0.0 111.059 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -154.23 163.74 31.17 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.447 1.092 . . . . 0.0 110.955 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.9 131.99 16.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 0.742 . . . . 0.0 111.01 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.958 HG23 HG23 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -143.7 132.97 20.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -103.35 157.54 16.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 110.273 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.749 ' CE1' ' HB3' ' A' ' 39' ' ' ALA . 25.8 m-85 -130.38 146.44 51.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.986 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.618 HD11 ' HB2' ' A' ' 43' ' ' CYS . 1.3 mm? -86.58 9.79 17.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.353 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 19.9 mmt180 -146.2 127.46 14.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 110.296 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.487 ' HB2' ' CE2' ' A' ' 16' ' ' PHE . 81.0 tttt -57.93 -57.02 14.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -48.78 -47.7 41.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.329 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -53.93 -37.1 63.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.329 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.681 ' SD ' HD11 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -59.51 -53.86 53.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 111.009 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.592 ' HA ' HD12 ' A' ' 67' ' ' LEU . 25.3 mt-10 -64.94 -40.3 94.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.581 ' CD1' ' HA ' ' A' ' 39' ' ' ALA . 20.3 t80 -50.12 -63.4 1.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.973 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 1.093 ' HB2' ' HB2' ' A' ' 39' ' ' ALA . . . -58.93 -38.47 79.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.718 HD23 HG12 ' A' ' 87' ' ' VAL . 19.6 mt -51.32 -56.98 10.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.461 ' O ' ' C ' ' A' ' 69' ' ' LYS . 3.2 mmt180 -72.86 -66.89 0.61 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.299 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.461 ' C ' ' O ' ' A' ' 68' ' ' ARG . 13.3 mptt -35.5 -60.73 0.49 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.762 ' HB2' HG21 ' A' ' 87' ' ' VAL . 19.2 mt -65.65 -62.08 1.72 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.648 ' C ' ' O ' ' A' ' 70' ' ' LEU . 38.5 t70 15.91 76.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.327 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.451 ' CB ' ' O ' ' A' ' 71' ' ' ASP . 9.1 t0 78.82 102.63 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.746 HG23 ' O ' ' A' ' 70' ' ' LEU . 20.3 p -138.96 166.86 23.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.373 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.5 tttt -94.57 105.86 17.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.532 ' CE1' ' HA ' ' A' ' 32' ' ' LEU . 35.5 t80 -93.87 127.9 39.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.992 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.8 ttp180 -94.63 118.13 31.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 110.287 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 84.3 p -70.38 167.54 17.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 110.038 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -69.21 -14.47 62.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.441 1.088 . . . . 0.0 109.58 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.407 ' HB2' ' CB ' ' A' ' 26' ' ' SER . 1.0 OUTLIER -94.28 -3.56 50.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.283 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 103.71 -38.83 3.05 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.506 1.129 . . . . 0.0 110.983 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -41.89 159.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 0.773 . . . . 0.0 110.299 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 23.6 p -137.38 156.77 47.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.372 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 51.4 p -160.47 162.28 33.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.007 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -95.38 112.37 24.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 110.957 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.622 HG22 ' O ' ' A' ' 22' ' ' GLY . 6.5 pt -106.63 130.72 58.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.59 153.8 20.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.268 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.762 HG21 ' HB2' ' A' ' 70' ' ' LEU . 2.2 t -124.29 116.85 48.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.528 ' CD1' ' O ' ' A' ' 19' ' ' LEU . 13.7 p90 -145.45 157.83 51.77 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 166.63 28.81 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.469 1.773 . . . . 0.0 111.007 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.417 ' HG2' HD11 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -77.28 167.68 21.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.317 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -177.84 50.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 110.302 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.0 t -100.27 101.34 12.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.99 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.3 t -143.91 162.05 37.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.96 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -119.49 138.69 13.53 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.502 1.126 . . . . 0.0 110.994 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 73.97 4.12 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.503 1.791 . . . . 0.0 111.039 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 5.1 t -154.44 148.81 26.12 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.527 1.142 . . . . 0.0 110.018 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.7 t -100.83 85.15 2.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.03 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 O-C-N 124.501 1.126 . . . . 0.0 111.011 -179.981 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.6 t -68.13 141.82 55.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 0.739 . . . . 0.0 110.002 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -148.61 130.6 15.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.978 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 126.27 -156.97 19.99 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.458 1.098 . . . . 0.0 110.983 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.38 88.01 1.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 0.769 . . . . 0.0 109.972 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.4 t 61.11 109.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.999 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.26 152.18 23.28 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.523 1.139 . . . . 0.0 111.028 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 122.93 -138.69 11.88 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 156.67 42.94 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.513 1.796 . . . . 0.0 110.955 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 126.43 9.94 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.452 1.764 . . . . 0.0 110.991 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.419 HG22 ' NH1' ' A' ' 13' ' ' ARG . 19.1 m -96.51 99.18 10.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.405 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.3 mtt-85 -109.75 83.18 1.71 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 110.262 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.419 ' NH1' HG22 ' A' ' 11' ' ' THR . 0.0 OUTLIER -125.54 -175.64 3.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.313 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 13' ' ' ARG . 49.3 m -38.97 127.1 1.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.025 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.606 ' O ' ' CD1' ' A' ' 16' ' ' PHE . 1.3 m-20 -93.62 70.06 4.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.352 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.606 ' CD1' ' O ' ' A' ' 15' ' ' ASP . 42.2 m-85 -162.48 100.86 1.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.14 . . . . 0.0 110.947 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.555 ' HD2' HD11 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -128.59 177.97 6.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.165 . . . . 0.0 110.271 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.859 HG23 HG23 ' A' ' 55' ' ' VAL . 27.8 m -139.3 124.8 21.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 109.293 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.713 HD21 ' CG ' ' A' ' 90' ' ' GLU . 1.1 mm? -84.46 128.7 34.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.271 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.429 ' O ' ' N ' ' A' ' 53' ' ' GLY . 62.4 t -115.57 134.7 57.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.407 ' O ' ' HA ' ' A' ' 85' ' ' ILE . 0.4 OUTLIER -142.9 149.97 39.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 110.009 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 51' ' ' GLY . . . 91.01 47.35 3.64 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.453 1.096 . . . . 0.0 111.065 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.456 ' HG ' ' CG2' ' A' ' 85' ' ' ILE . 1.5 mt -94.74 157.05 37.55 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.509 0.77 . . . . 0.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 172.04 17.14 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.49 1.784 . . . . 0.0 110.956 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -19.3 17.97 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.497 1.788 . . . . 0.0 110.984 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.4 m -105.3 -10.22 17.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.991 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -55.46 144.87 32.69 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.482 1.113 . . . . 0.0 110.992 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.15 -177.42 4.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 0.733 . . . . 0.0 110.028 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.57 ' CH2' ' HG2' ' A' ' 30' ' ' GLN . 39.7 p-90 -88.75 -36.33 16.19 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.57 ' HG2' ' CH2' ' A' ' 29' ' ' TRP . 7.0 mt-30 -47.08 -70.74 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.336 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.37 -50.82 68.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.815 HD23 ' C ' ' A' ' 32' ' ' LEU . 0.9 OUTLIER -45.48 -47.14 14.02 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.513 ' O ' ' N ' ' A' ' 36' ' ' MET . 7.5 tttt -55.26 -69.67 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 33' ' ' LYS . 5.9 t0 -39.45 -38.0 0.52 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -68.36 -47.63 66.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.622 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.73 ' HG3' HG21 ' A' ' 55' ' ' VAL . 28.8 mmm -67.7 -41.81 83.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.14 . . . . 0.0 111.011 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.494 ' O ' ' C ' ' A' ' 38' ' ' GLU . 21.5 mtp180 -39.58 -28.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 110.304 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.494 ' C ' ' O ' ' A' ' 37' ' ' ARG . 5.2 mm-40 -31.18 -40.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.322 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 1.085 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . . . -62.2 -81.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -149.18 -123.15 1.24 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.505 1.128 . . . . 0.0 110.978 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.683 ' HB3' HD13 ' A' ' 58' ' ' LEU . 0.7 OUTLIER -95.4 133.62 39.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 0.788 . . . . 0.0 109.289 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.45 HG21 ' HG2' ' A' ' 37' ' ' ARG . 24.9 t -104.18 116.56 48.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 25.8 p -93.78 -24.14 17.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 108.35 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.522 ' CD1' ' HE2' ' A' ' 54' ' ' MET . 16.1 t80 -129.9 137.46 50.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -152.22 114.43 4.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.265 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -145.34 158.92 43.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 109.329 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 52' ' ' MET . 7.8 p -139.18 140.68 37.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -109.64 162.28 14.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.32 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.31 -178.37 0.25 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 109.262 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.1 t70 74.22 -58.85 0.57 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.419 ' O ' ' N ' ' A' ' 22' ' ' GLY . . . 149.91 44.14 0.03 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.474 1.109 . . . . 0.0 110.983 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.504 ' O ' HG23 ' A' ' 47' ' ' VAL . 0.9 OUTLIER -110.14 166.38 11.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 0.779 . . . . 0.0 111.018 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -158.5 160.62 31.13 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.485 1.115 . . . . 0.0 110.989 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.522 ' HE2' ' CD1' ' A' ' 44' ' ' TYR . 2.0 ttp -153.34 130.83 11.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 0.756 . . . . 0.0 111.009 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.859 HG23 HG23 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -138.89 142.46 34.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.34 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.434 ' CG ' ' HE3' ' A' ' 54' ' ' MET . 13.7 mt-10 -117.66 140.36 49.76 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.475 1.109 . . . . 0.0 110.283 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.722 ' CE1' ' HB3' ' A' ' 39' ' ' ALA . 43.1 m-85 -111.08 169.49 8.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 111.023 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.683 HD13 ' HB3' ' A' ' 41' ' ' ASP . 4.6 mp -95.89 -35.97 11.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.115 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 5.6 mmt-85 -105.29 139.35 40.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.262 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.565 ' HG3' ' CD1' ' A' ' 16' ' ' PHE . 25.1 tttp -58.43 -56.64 19.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.238 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -45.23 -52.68 9.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.301 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.583 ' O ' ' HB1' ' A' ' 39' ' ' ALA . 97.1 m-20 -46.81 -37.17 8.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.703 ' SD ' HD11 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -62.91 -67.69 0.4 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 111.019 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.649 ' HA ' HD12 ' A' ' 67' ' ' LEU . 27.0 mt-10 -52.61 -39.43 61.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 110.312 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.588 ' CD1' ' HA ' ' A' ' 39' ' ' ALA . 34.2 t80 -50.64 -68.51 0.16 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.997 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 1.085 ' HB2' ' HB2' ' A' ' 39' ' ' ALA . . . -55.79 -38.09 69.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.821 HD23 HG12 ' A' ' 87' ' ' VAL . 25.4 mt -50.81 -57.96 7.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.332 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.46 ' O ' ' C ' ' A' ' 69' ' ' LYS . 3.0 mmt180 -73.61 -66.38 0.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.298 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.497 ' HD3' ' CD2' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -35.07 -60.0 0.48 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.853 ' O ' HG23 ' A' ' 73' ' ' THR . 18.9 mt -67.56 -62.0 1.62 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.64 ' C ' ' O ' ' A' ' 70' ' ' LEU . 38.5 t0 17.0 91.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.7 t0 61.74 106.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.853 HG23 ' O ' ' A' ' 70' ' ' LEU . 3.5 p -138.62 171.43 14.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 110.395 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.4 tttt -95.51 99.15 11.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.411 ' CD2' HD23 ' A' ' 23' ' ' LEU . 59.1 t80 -88.14 136.96 32.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 111.003 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 50.1 ttp180 -114.55 120.06 38.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.286 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 86.3 p -68.93 173.16 5.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.986 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -73.8 -10.9 60.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.602 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -90.81 -9.3 46.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 0.0 110.31 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 104.09 -23.97 30.59 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.481 1.113 . . . . 0.0 110.992 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -52.4 157.4 1.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 0.801 . . . . 0.0 110.302 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.6 p -127.54 147.98 50.33 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 110.367 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 51.1 m -154.33 164.87 37.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.115 . . . . 0.0 110.013 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -105.83 117.16 33.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 0.0 110.997 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.456 ' CG2' ' HG ' ' A' ' 23' ' ' LEU . 14.3 pt -114.87 133.12 62.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.55 158.06 15.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 110.272 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.821 HG12 HD23 ' A' ' 67' ' ' LEU . 2.2 t -127.3 120.14 54.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.166 . . . . 0.0 109.272 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.4 ' HA ' HD22 ' A' ' 67' ' ' LEU . 37.2 p90 -153.44 155.73 31.86 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 111.048 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.44 ' C ' HD23 ' A' ' 19' ' ' LEU . 18.3 Cg_endo -74.96 171.02 19.13 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.488 1.783 . . . . 0.0 110.978 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.713 ' CG ' HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -94.66 178.29 5.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.28 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.5 tpt85 -132.19 123.13 26.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.287 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 60.5 p -122.69 121.36 36.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.977 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -148.31 134.64 19.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 110.037 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 161.09 132.19 1.31 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.523 1.14 . . . . 0.0 111.014 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -43.18 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.539 1.81 . . . . 0.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -172.9 -57.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.993 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.1 t -87.51 140.14 29.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.143 . . . . 0.0 109.989 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.479 1.112 . . . . 0.0 110.999 -179.944 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.2 m -61.93 164.15 6.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 0.784 . . . . 0.0 109.967 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -39.39 147.06 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.022 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.52 -128.07 2.24 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.474 1.109 . . . . 0.0 110.994 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -120.11 170.98 8.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 0.79 . . . . 0.0 109.974 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 m -172.83 158.26 3.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.953 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.3 -116.47 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.499 1.124 . . . . 0.0 111.006 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.12 172.91 0.02 OUTLIER Glycine 0 CA--C 1.531 1.034 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 159.41 41.53 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.513 1.796 . . . . 0.0 111.078 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 69.0 5.67 Favored 'Trans proline' 0 C--N 1.359 1.093 0 O-C-N 124.511 1.795 . . . . 0.0 110.952 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 55.3 p -107.02 142.37 36.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.424 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.97 45.63 0.92 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.8 143.83 51.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 110.283 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 17.3 m 50.04 -177.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.008 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.509 ' O ' ' CD1' ' A' ' 16' ' ' PHE . 4.2 m-20 -165.06 62.75 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.509 ' CD1' ' O ' ' A' ' 15' ' ' ASP . 48.6 m-85 -153.37 107.81 3.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 111.004 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.5 ptt180 -131.96 177.15 7.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.305 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.81 HG23 HG23 ' A' ' 55' ' ' VAL . 21.3 m -131.01 131.43 64.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.616 HD11 ' HG2' ' A' ' 90' ' ' GLU . 10.0 mt -89.9 124.25 34.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.687 HG13 ' HB ' ' A' ' 85' ' ' ILE . 10.3 t -112.71 139.49 37.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 58.2 m -148.71 130.14 14.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 110.031 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.579 ' C ' HG22 ' A' ' 85' ' ' ILE . . . 115.67 32.83 1.67 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.929 HD12 ' O ' ' A' ' 51' ' ' GLY . 4.7 mt -77.23 156.69 81.55 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.493 0.76 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 169.9 21.57 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.497 1.788 . . . . 0.0 110.97 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -12.84 21.47 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.556 1.819 . . . . 0.0 111.018 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.2 m -117.68 0.91 12.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.132 . . . . 0.0 110.029 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -62.81 161.57 32.04 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.53 1.144 . . . . 0.0 111.015 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.1 m -140.67 175.48 9.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 0.743 . . . . 0.0 109.986 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.532 ' CZ2' ' HG3' ' A' ' 30' ' ' GLN . 44.7 p-90 -84.81 -40.54 17.06 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.532 ' HG3' ' CZ2' ' A' ' 29' ' ' TRP . 39.9 mt-30 -49.68 -73.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.304 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.77 -39.4 25.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.26 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.825 HD23 ' C ' ' A' ' 32' ' ' LEU . 0.7 OUTLIER -56.67 -48.31 77.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.549 ' N ' HD23 ' A' ' 32' ' ' LEU . 0.4 OUTLIER -54.4 -60.71 2.98 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -42.88 -27.51 0.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.412 ' N ' ' C ' ' A' ' 33' ' ' LYS . 4.3 t60 -85.86 -56.39 3.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 109.626 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.719 ' HG3' HG21 ' A' ' 55' ' ' VAL . 25.1 mmm -55.61 -40.43 72.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 110.978 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.502 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 1.7 mmm180 -42.09 -25.84 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.34 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.485 ' C ' ' O ' ' A' ' 37' ' ' ARG . 4.7 mm-40 -31.46 -40.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.297 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 1.086 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . . . -59.66 -75.02 0.06 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -153.07 -103.22 0.23 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.463 1.102 . . . . 0.0 110.987 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -122.85 128.34 50.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 0.762 . . . . 0.0 109.292 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.539 HG11 HG12 ' A' ' 55' ' ' VAL . 6.9 t -94.93 126.03 47.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.354 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.561 ' HB2' HD21 ' A' ' 58' ' ' LEU . 8.4 t -91.2 -26.47 19.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 108.299 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -145.81 142.28 28.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 111.003 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -150.66 115.65 5.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -134.06 165.85 24.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.322 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.466 HG23 ' HB3' ' A' ' 29' ' ' TRP . 30.5 t -142.12 144.43 25.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -120.58 167.96 11.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 110.349 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.556 ' O ' ' CB ' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -62.22 169.22 2.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 109.336 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.556 ' CB ' ' O ' ' A' ' 49' ' ' LYS . 6.0 t0 87.05 -42.2 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.929 ' O ' HD12 ' A' ' 23' ' ' LEU . . . 132.6 -3.01 5.0 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.551 1.157 . . . . 0.0 110.954 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.27 154.55 41.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 0.771 . . . . 0.0 110.972 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -150.63 171.96 30.4 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.519 1.137 . . . . 0.0 110.999 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -149.38 143.67 25.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 0.785 . . . . 0.0 111.026 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.81 HG23 HG23 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -151.1 124.47 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -93.77 153.61 18.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.429 1.081 . . . . 0.0 110.319 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.757 ' CE1' ' HB3' ' A' ' 39' ' ' ALA . 14.3 m-85 -128.12 142.7 51.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.558 1.162 . . . . 0.0 110.97 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.561 HD21 ' HB2' ' A' ' 43' ' ' CYS . 1.6 mm? -82.37 -4.31 57.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -131.27 134.31 46.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.331 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.9 tttp -61.5 -57.29 12.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.565 1.166 . . . . 0.0 109.315 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -44.18 -52.76 7.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.284 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.544 ' HB3' ' HB1' ' A' ' 39' ' ' ALA . 76.0 m-20 -44.44 -50.49 9.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 109.336 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.412 ' HA ' ' CD2' ' A' ' 57' ' ' TYR . 14.5 ttp -48.33 -60.98 2.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.997 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.527 ' HA ' HD12 ' A' ' 67' ' ' LEU . 19.0 mt-10 -62.58 -43.94 97.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.319 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.571 ' CD1' ' HA ' ' A' ' 39' ' ' ALA . 17.0 t80 -50.75 -61.8 1.99 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.961 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 1.086 ' HB2' ' HB2' ' A' ' 39' ' ' ALA . . . -59.41 -38.1 79.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.707 HD23 HG12 ' A' ' 87' ' ' VAL . 16.4 mt -52.73 -54.54 32.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.269 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.446 ' O ' ' C ' ' A' ' 69' ' ' LYS . 17.8 mmt180 -73.5 -67.38 0.59 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -36.24 -59.87 0.6 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.289 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.839 ' O ' HG23 ' A' ' 73' ' ' THR . 20.1 mt -66.21 -62.5 1.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.637 ' C ' ' O ' ' A' ' 70' ' ' LEU . 33.7 t70 18.14 89.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.556 ' OD1' ' CE2' ' A' ' 84' ' ' TYR . 5.6 t70 61.48 102.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 109.331 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.839 HG23 ' O ' ' A' ' 70' ' ' LEU . 3.3 p -132.17 -179.39 5.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 110.413 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.1 tttt -107.42 98.7 8.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.45 ' CE1' ' HA ' ' A' ' 32' ' ' LEU . 49.6 t80 -90.43 127.44 36.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.961 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.7 ttp180 -96.6 121.85 38.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 110.321 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 87.0 p -69.76 165.36 21.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 110.007 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.54 -12.87 61.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.582 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -96.59 -6.48 36.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.32 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 108.74 -40.68 2.46 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.471 1.107 . . . . 0.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -41.33 151.45 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 0.752 . . . . 0.0 110.286 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 31.8 p -130.33 148.91 52.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.423 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 11.7 m -148.91 165.37 31.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.979 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.556 ' CE2' ' OD1' ' A' ' 72' ' ' ASP . 0.1 OUTLIER -103.1 108.87 20.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 110.98 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.687 ' HB ' HG13 ' A' ' 20' ' ' VAL . 4.1 pt -105.92 130.03 58.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.67 149.98 21.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 110.314 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.719 HG21 ' HB2' ' A' ' 70' ' ' LEU . 1.8 t -116.77 114.92 47.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.436 ' HA ' HD22 ' A' ' 67' ' ' LEU . 14.2 p90 -145.81 156.87 51.81 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.986 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 177.33 8.72 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.483 1.781 . . . . 0.0 110.971 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.616 ' HG2' HD11 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -88.63 141.68 28.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.326 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.0 ttt-85 -175.66 120.27 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.313 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -139.85 78.57 1.67 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.968 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 19.8 t 61.53 156.6 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 110.021 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -77.75 115.85 4.34 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.496 1.122 . . . . 0.0 110.992 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 147.73 34.35 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.48 1.779 . . . . 0.0 110.998 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 26.7 t -146.99 87.27 1.67 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.47 1.106 . . . . 0.0 109.983 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 8.6 t -132.61 -58.49 0.93 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.032 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.479 1.112 . . . . 0.0 111.036 -179.984 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -155.29 -58.59 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 0.736 . . . . 0.0 110.032 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 t -63.37 146.36 53.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.155 . . . . 0.0 109.992 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.94 101.21 0.23 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.493 1.12 . . . . 0.0 110.978 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.8 p -136.5 127.13 27.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 0.768 . . . . 0.0 110.034 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 57.76 164.47 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 110.001 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 63.62 -145.02 49.66 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.472 1.108 . . . . 0.0 111.04 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 140.23 121.32 1.81 Allowed Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 159.26 41.35 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.513 1.797 . . . . 0.0 110.975 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 171.2 18.8 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.476 1.777 . . . . 0.0 110.983 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 38.7 m -144.12 103.28 3.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 110.367 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.4 49.64 1.84 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.287 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -123.53 173.29 8.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 110.306 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 39.6 m -53.33 159.91 1.27 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.142 . . . . 0.0 110.013 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -116.04 68.43 0.72 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.549 ' CE2' ' HB2' ' A' ' 60' ' ' LYS . 26.0 m-85 -141.6 105.79 4.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 111.004 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.449 ' HD2' ' CD2' ' A' ' 19' ' ' LEU . 0.3 OUTLIER -125.73 176.7 6.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 110.286 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.909 HG23 HG23 ' A' ' 55' ' ' VAL . 17.0 m -133.9 119.86 33.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 0.0 109.276 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.461 HD11 ' HB3' ' A' ' 90' ' ' GLU . 40.3 mt -84.09 128.05 34.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 65.2 t -115.88 141.49 33.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 109.333 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.505 ' CB ' ' SD ' ' A' ' 52' ' ' MET . 51.9 p -143.8 154.52 43.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.023 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.888 ' O ' HG22 ' A' ' 85' ' ' ILE . . . 79.0 60.99 2.45 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.499 1.124 . . . . 0.0 110.979 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.467 HD23 ' CD2' ' A' ' 75' ' ' PHE . 3.9 mt -106.24 158.96 31.37 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.473 0.749 . . . . 0.0 109.3 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 171.36 18.47 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.526 1.803 . . . . 0.0 110.934 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -20.1 17.16 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.531 1.806 . . . . 0.0 111.054 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.402 ' HB2' ' CB ' ' A' ' 77' ' ' SER . 1.2 m -99.93 -14.97 18.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 110.04 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -48.92 134.07 22.56 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.523 1.14 . . . . 0.0 110.993 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.7 m -123.26 169.71 11.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 0.754 . . . . 0.0 109.995 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.613 ' CE3' ' N ' ' A' ' 30' ' ' GLN . 29.4 p-90 -71.6 -39.52 70.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 108.005 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.613 ' N ' ' CE3' ' A' ' 29' ' ' TRP . 1.4 tm0? -50.95 -73.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 110.251 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -50.09 -44.57 52.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.709 HD23 ' C ' ' A' ' 32' ' ' LEU . 3.1 tt -53.01 -51.66 60.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 109.325 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.516 ' O ' ' N ' ' A' ' 36' ' ' MET . 15.7 ttpt -58.11 -65.63 0.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.446 ' OD1' ' NE2' ' A' ' 30' ' ' GLN . 1.0 OUTLIER -39.86 -29.66 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.436 ' N ' ' O ' ' A' ' 33' ' ' LYS . 16.7 t-80 -82.66 -46.02 13.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.621 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.794 ' HG3' HG21 ' A' ' 55' ' ' VAL . 23.4 mmm -64.43 -39.21 93.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.98 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.486 ' O ' ' C ' ' A' ' 38' ' ' GLU . 5.0 mtm105 -42.47 -25.59 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.306 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.486 ' C ' ' O ' ' A' ' 37' ' ' ARG . 3.7 mm-40 -31.05 -40.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 110.265 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 1.009 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . . . -66.38 -81.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -148.74 -130.09 1.88 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.537 1.148 . . . . 0.0 111.027 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -88.49 136.86 32.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 0.745 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.8 t -106.77 117.06 51.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.282 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.444 ' HB2' HD21 ' A' ' 58' ' ' LEU . 43.0 t -92.42 -25.52 18.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 108.331 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.513 ' CD1' ' CE ' ' A' ' 54' ' ' MET . 6.6 t80 -127.88 132.81 49.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.127 . . . . 0.0 110.959 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -148.2 114.71 5.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -144.65 163.28 34.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.473 HG12 ' HB3' ' A' ' 29' ' ' TRP . 5.7 p -140.56 139.08 35.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 109.267 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 58.1 mt-30 -108.99 170.16 8.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.269 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.95 -174.26 1.18 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.158 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.4 t0 72.83 -59.44 0.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.277 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.42 ' O ' ' N ' ' A' ' 22' ' ' GLY . . . 149.15 43.98 0.03 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.452 1.095 . . . . 0.0 111.002 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.505 ' SD ' ' CB ' ' A' ' 21' ' ' SER . 26.0 mmm -116.98 171.01 8.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 0.75 . . . . 0.0 110.996 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -157.13 167.97 33.95 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.457 1.098 . . . . 0.0 111.016 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.513 ' CE ' ' CD1' ' A' ' 44' ' ' TYR . 0.0 OUTLIER -152.17 137.39 17.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 0.793 . . . . 0.0 110.961 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.909 HG23 HG23 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -147.9 148.79 15.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.577 1.173 . . . . 0.0 109.316 179.939 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.442 ' HB2' ' CB ' ' A' ' 44' ' ' TYR . 2.4 mm-40 -115.22 164.21 14.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.664 ' CE1' ' HB3' ' A' ' 39' ' ' ALA . 22.3 m-85 -138.84 143.89 39.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 111.019 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.445 HD22 ' N ' ' A' ' 58' ' ' LEU . 1.4 mm? -86.66 7.01 28.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -141.86 132.29 25.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.16 . . . . 0.0 110.297 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.549 ' HB2' ' CE2' ' A' ' 16' ' ' PHE . 12.8 tttt -58.46 -53.67 55.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.238 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -47.61 -54.02 13.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.334 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.404 ' O ' ' HB3' ' A' ' 65' ' ' TYR . 84.8 m-20 -43.09 -51.79 5.67 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 109.344 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.482 ' HG3' HG13 ' A' ' 18' ' ' VAL . 20.1 ttp -51.5 -64.18 0.89 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 111.037 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -55.72 -46.04 77.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.547 ' CD1' ' HA ' ' A' ' 39' ' ' ALA . 24.5 t80 -50.51 -64.88 0.67 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 1.009 ' HB2' ' HB2' ' A' ' 39' ' ' ALA . . . -58.16 -38.57 76.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.971 HD23 HG12 ' A' ' 87' ' ' VAL . 18.7 mt -51.13 -57.51 8.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.546 ' O ' ' CB ' ' A' ' 71' ' ' ASP . 4.5 mmp_? -71.65 -66.87 0.58 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 68' ' ' ARG . 0.2 OUTLIER -36.65 -62.81 0.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.778 ' HB2' HG21 ' A' ' 87' ' ' VAL . 30.6 mt -60.68 -50.24 74.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.682 ' C ' ' O ' ' A' ' 70' ' ' LEU . 27.0 t0 -9.49 106.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 14.5 t70 60.84 103.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.339 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.645 HG23 ' O ' ' A' ' 70' ' ' LEU . 0.2 OUTLIER -147.43 175.33 10.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 110.402 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.2 tttt -108.07 98.66 8.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.467 ' CD2' HD23 ' A' ' 23' ' ' LEU . 33.2 t80 -83.82 134.82 34.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 111.015 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.3 ttp180 -108.4 112.97 25.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.275 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.402 ' CB ' ' HB2' ' A' ' 26' ' ' SER . 10.1 p -62.38 168.22 3.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.01 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 2.4 p-80 -70.21 -10.77 59.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.555 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -89.68 -1.33 57.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.312 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 95.23 -23.21 34.54 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.478 1.111 . . . . 0.0 111.023 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -58.72 156.18 11.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 0.753 . . . . 0.0 110.319 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.2 p -130.24 146.52 51.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 110.404 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 18.7 m -151.61 166.73 30.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.063 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -100.4 127.19 46.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.996 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.888 HG22 ' O ' ' A' ' 22' ' ' GLY . 45.4 pt -115.77 -173.66 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.75 132.74 18.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.12 . . . . 0.0 110.277 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.971 HG12 HD23 ' A' ' 67' ' ' LEU . 2.3 t -105.73 121.06 57.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.449 ' CD1' ' O ' ' A' ' 19' ' ' LEU . 22.4 p90 -147.59 158.31 43.39 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 111.013 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -168.56 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.484 1.781 . . . . 0.0 111.003 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.461 ' HB3' HD11 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -126.9 47.46 2.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 110.303 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 67.6 92.45 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.283 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.5 -60.96 1.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.005 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 53.0 p -141.18 138.03 33.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.988 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -108.64 172.84 17.09 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.583 1.177 . . . . 0.0 111.028 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 92.28 0.99 Allowed 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.528 1.804 . . . . 0.0 111.021 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -96.0 -59.2 1.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.021 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.3 m -170.87 152.05 3.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.035 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.5 1.125 . . . . 0.0 110.997 -179.994 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 68.86 -74.29 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 0.756 . . . . 0.0 110.004 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.4 p 51.92 96.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.949 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.85 75.14 0.13 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.475 1.109 . . . . 0.0 111.004 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.3 m -153.89 141.26 19.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 0.776 . . . . 0.0 109.985 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.7 t -50.25 160.45 0.37 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.968 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.31 59.43 0.63 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.458 1.099 . . . . 0.0 111.032 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -45.21 -84.91 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 173.01 15.24 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.51 1.795 . . . . 0.0 110.995 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 167.67 26.54 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.48 1.779 . . . . 0.0 110.989 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 65.1 m 58.98 94.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 110.393 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -136.46 84.56 2.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.335 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.68 -179.43 5.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 0.0 110.291 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.492 ' HB3' ' CD2' ' A' ' 16' ' ' PHE . 10.3 m -43.59 150.81 0.21 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.967 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.466 ' O ' ' CD1' ' A' ' 16' ' ' PHE . 2.3 p-10 -108.76 60.21 0.6 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.492 ' CD2' ' HB3' ' A' ' 14' ' ' SER . 11.8 m-85 -143.35 110.69 5.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.1 . . . . 0.0 111.01 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.535 ' HD2' HD11 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -139.85 177.86 7.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.276 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.771 ' CG2' HG23 ' A' ' 55' ' ' VAL . 34.5 m -136.95 132.75 47.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.6 HD21 ' HB2' ' A' ' 90' ' ' GLU . 1.6 mm? -92.84 118.86 31.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.42 1.075 . . . . 0.0 109.29 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.608 HG13 ' HB ' ' A' ' 85' ' ' ILE . 10.0 t -99.12 136.49 29.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 75.2 m -145.84 135.81 23.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.098 . . . . 0.0 110.029 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 108.63 38.16 1.95 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.532 1.145 . . . . 0.0 110.968 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.564 HD23 ' CD2' ' A' ' 75' ' ' PHE . 2.3 mt -88.05 160.46 46.2 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.53 0.782 . . . . 0.0 109.278 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.476 ' HG2' ' CA ' ' A' ' 27' ' ' GLY . 18.4 Cg_endo -74.99 173.72 14.02 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.496 1.788 . . . . 0.0 110.998 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -21.91 15.5 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.537 1.809 . . . . 0.0 111.002 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.406 ' O ' ' O ' ' A' ' 27' ' ' GLY . 38.5 m -108.22 -13.26 14.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.983 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.476 ' CA ' ' HG2' ' A' ' 24' ' ' PRO . . . -40.07 161.89 0.01 OUTLIER Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.577 1.173 . . . . 0.0 111.01 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.9 p -136.79 177.84 7.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 0.747 . . . . 0.0 109.965 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.605 ' CH2' ' NE2' ' A' ' 30' ' ' GLN . 59.8 p-90 -92.94 -41.01 10.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 108.039 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.605 ' NE2' ' CH2' ' A' ' 29' ' ' TRP . 11.8 mm-40 -51.4 -61.6 2.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.281 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.403 ' HB3' ' CZ ' ' A' ' 75' ' ' PHE . 0.3 OUTLIER -58.02 -40.0 79.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.812 HD23 ' C ' ' A' ' 32' ' ' LEU . 0.6 OUTLIER -56.74 -51.02 70.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.643 ' N ' HD23 ' A' ' 32' ' ' LEU . 1.6 ttpt -53.09 -56.16 18.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.274 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -45.17 -25.82 0.4 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.403 ' N ' ' C ' ' A' ' 33' ' ' LYS . 6.5 t60 -87.94 -52.33 5.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.103 . . . . 0.0 109.56 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.716 ' HG3' HG21 ' A' ' 55' ' ' VAL . 28.5 mmm -58.62 -39.57 80.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 111.019 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.493 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 6.1 mtm180 -42.01 -26.02 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.483 ' C ' ' O ' ' A' ' 37' ' ' ARG . 0.4 OUTLIER -31.64 -40.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.277 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 1.008 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . . . -66.3 -80.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -146.31 -130.17 2.11 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.515 1.134 . . . . 0.0 110.952 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -91.85 135.87 33.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 0.786 . . . . 0.0 109.296 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.534 HG11 HG12 ' A' ' 55' ' ' VAL . 3.6 t -107.98 116.33 51.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.564 1.165 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 31.7 t -94.6 -29.03 15.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.549 1.155 . . . . 0.0 108.319 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.724 ' CD1' ' HE2' ' A' ' 54' ' ' MET . 7.3 t80 -117.89 129.51 55.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -146.73 114.77 6.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -145.51 155.22 42.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.554 HG12 ' HB3' ' A' ' 29' ' ' TRP . 7.7 p -136.94 139.1 45.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -110.33 169.94 8.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.34 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.481 ' O ' ' CB ' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -68.97 174.77 4.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.481 ' CB ' ' O ' ' A' ' 49' ' ' LYS . 1.2 t70 80.48 -58.14 0.32 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 147.36 44.69 0.03 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.545 1.153 . . . . 0.0 110.996 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.406 ' O ' HG23 ' A' ' 47' ' ' VAL . 1.1 mtt -111.7 163.53 14.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 0.773 . . . . 0.0 110.971 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -152.61 164.85 30.82 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.521 1.138 . . . . 0.0 111.017 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.724 ' HE2' ' CD1' ' A' ' 44' ' ' TYR . 1.6 ttp -152.7 123.14 7.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 0.769 . . . . 0.0 111.027 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.771 HG23 ' CG2' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -134.39 139.54 47.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 109.338 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.469 ' HG3' ' CE ' ' A' ' 54' ' ' MET . 10.7 mt-10 -112.73 142.54 45.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.275 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.899 ' CE1' ' HB3' ' A' ' 39' ' ' ALA . 45.7 m-85 -114.46 141.24 47.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 110.985 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.551 HD22 ' N ' ' A' ' 58' ' ' LEU . 1.9 mm? -80.53 2.14 26.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.26 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -137.95 132.29 32.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.306 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 30.7 tttt -57.85 -53.44 58.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -49.5 -51.2 37.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.286 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -46.5 -44.44 17.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.466 ' HG2' ' CD1' ' A' ' 67' ' ' LEU . 13.0 ttp -56.91 -63.68 1.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.445 ' HA ' HD12 ' A' ' 67' ' ' LEU . 15.7 mt-10 -54.79 -43.94 73.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.292 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.574 ' CD1' ' HA ' ' A' ' 39' ' ' ALA . 31.5 t80 -50.71 -67.68 0.23 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.127 . . . . 0.0 111.006 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 1.008 ' HB2' ' HB2' ' A' ' 39' ' ' ALA . . . -56.51 -38.08 71.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.724 HD23 HG12 ' A' ' 87' ' ' VAL . 20.6 mt -50.93 -58.57 5.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.567 1.167 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.462 ' O ' ' C ' ' A' ' 69' ' ' LYS . 0.1 OUTLIER -72.35 -66.14 0.69 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 110.285 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.462 ' C ' ' O ' ' A' ' 68' ' ' ARG . 1.7 mptp? -35.49 -61.66 0.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.164 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.854 ' HB2' HG21 ' A' ' 87' ' ' VAL . 21.8 mt -65.48 -62.48 1.5 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.638 ' C ' ' O ' ' A' ' 70' ' ' LEU . 67.3 t0 16.69 76.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.435 ' CB ' ' O ' ' A' ' 71' ' ' ASP . 8.3 t70 77.23 104.49 0.07 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.768 HG23 ' O ' ' A' ' 70' ' ' LEU . 22.7 p -140.88 166.12 25.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.357 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.9 tttt -93.11 99.44 12.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.564 ' CD2' HD23 ' A' ' 23' ' ' LEU . 18.9 t80 -90.63 112.59 24.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.536 1.148 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.579 ' CG ' HG22 ' A' ' 82' ' ' THR . 10.7 ttp180 -97.65 110.14 22.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 110.271 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.7 p -67.64 175.47 2.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.958 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 4.6 p-80 -72.29 -12.08 60.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 0.0 109.621 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -85.9 0.8 52.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.374 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 86.6 -16.49 45.18 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.501 1.125 . . . . 0.0 110.974 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -67.72 144.25 55.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 0.762 . . . . 0.0 110.337 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.579 HG22 ' CG ' ' A' ' 76' ' ' ARG . 65.0 p -126.99 135.38 50.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.433 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 21.1 m -140.27 146.97 39.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.004 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -81.65 111.95 18.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.961 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.608 ' HB ' HG13 ' A' ' 20' ' ' VAL . 13.3 pt -108.62 133.34 53.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.14 153.45 17.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 110.255 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.854 HG21 ' HB2' ' A' ' 70' ' ' LEU . 1.6 t -122.37 119.38 58.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.088 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.541 ' HA ' HD22 ' A' ' 67' ' ' LEU . 40.6 p90 -153.39 154.52 30.72 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 111.024 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.426 ' C ' HD23 ' A' ' 19' ' ' LEU . 18.2 Cg_endo -75.03 174.06 13.45 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.514 1.797 . . . . 0.0 110.985 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.6 ' HB2' HD21 ' A' ' 19' ' ' LEU . 13.2 tt0 -89.0 152.21 21.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 110.283 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -128.84 111.83 13.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.266 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -159.64 -68.01 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.987 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.0 m 55.05 77.16 0.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.015 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 168.04 80.57 0.04 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.545 1.153 . . . . 0.0 111.01 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 60.27 5.37 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.569 1.826 . . . . 0.0 111.041 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.45 140.58 30.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.095 . . . . 0.0 110.008 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 14.6 m 62.13 146.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.989 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.493 1.121 . . . . 0.0 110.994 -179.964 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -55.71 162.8 1.58 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 0.787 . . . . 0.0 109.965 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -122.56 159.68 27.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.981 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 68.93 -109.1 2.73 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.488 1.118 . . . . 0.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -169.03 131.06 1.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 0.766 . . . . 0.0 109.989 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.4 t 62.54 135.71 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.957 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.92 123.27 0.83 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.506 1.129 . . . . 0.0 111.006 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 131.35 -149.76 19.31 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 166.67 28.76 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.531 1.806 . . . . 0.0 111.029 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 11' ' ' THR . 18.2 Cg_endo -75.04 61.98 5.81 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.469 1.773 . . . . 0.0 110.995 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 10' ' ' PRO . 54.5 p -37.66 116.34 0.48 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 110.44 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -138.84 36.02 2.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.331 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.499 ' CZ ' ' HB3' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -92.11 -29.71 16.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 110.33 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.46 ' O ' ' CE2' ' A' ' 16' ' ' PHE . 0.9 OUTLIER -149.46 -47.99 0.14 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.119 . . . . 0.0 110.008 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.588 ' O ' ' CD1' ' A' ' 16' ' ' PHE . 19.1 t70 57.87 59.78 3.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.588 ' CD1' ' O ' ' A' ' 15' ' ' ASP . 27.2 m-85 -148.83 102.05 3.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.991 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.29 176.96 6.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.317 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.703 ' CG2' HG23 ' A' ' 55' ' ' VAL . 24.1 m -133.13 133.63 58.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.776 HD11 ' HG2' ' A' ' 90' ' ' GLU . 13.2 mt -91.78 120.87 32.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.337 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 54.4 t -101.29 141.71 17.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.401 ' O ' ' HA ' ' A' ' 85' ' ' ILE . 93.1 p -149.08 150.21 32.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.009 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.481 ' O ' HG22 ' A' ' 85' ' ' ILE . . . 84.33 44.93 6.38 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.512 1.132 . . . . 0.0 110.966 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.578 HD23 HG21 ' A' ' 85' ' ' ILE . 9.1 mt -91.31 158.27 41.29 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.508 0.769 . . . . 0.0 109.255 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 173.03 15.22 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.496 1.787 . . . . 0.0 110.959 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -20.95 16.29 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.522 1.801 . . . . 0.0 110.974 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.461 ' CB ' ' HB2' ' A' ' 79' ' ' GLU . 1.5 m -104.56 -11.53 16.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.976 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -50.8 128.47 29.35 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.525 1.14 . . . . 0.0 111.02 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 74.4 m -114.73 -179.03 3.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 0.779 . . . . 0.0 109.989 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.532 ' CZ3' ' HG2' ' A' ' 30' ' ' GLN . 55.2 p-90 -83.3 -39.56 20.64 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.532 ' HG2' ' CZ3' ' A' ' 29' ' ' TRP . 71.6 mt-30 -48.93 -73.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 110.311 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -49.32 -40.94 36.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.344 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.611 HD23 ' C ' ' A' ' 32' ' ' LEU . 5.7 tt -55.81 -55.11 36.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.118 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.474 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 2.1 tttm -53.42 -64.01 0.96 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.098 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -41.17 -28.79 0.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.253 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.422 ' N ' ' O ' ' A' ' 33' ' ' LYS . 6.2 t60 -85.38 -56.79 3.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.619 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.69 ' HG3' HG21 ' A' ' 55' ' ' VAL . 26.2 mmm -54.76 -39.62 68.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.979 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.483 ' O ' ' C ' ' A' ' 38' ' ' GLU . 5.8 mmm180 -43.25 -25.09 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.292 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.483 ' C ' ' O ' ' A' ' 37' ' ' ARG . 1.0 OUTLIER -31.68 -40.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.304 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 1.084 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . . . -66.98 -81.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.307 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -145.84 -136.1 2.89 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.503 1.127 . . . . 0.0 111.042 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -88.34 127.03 35.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 0.764 . . . . 0.0 109.257 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 22.4 t -92.22 111.67 24.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.427 ' HB3' HD21 ' A' ' 58' ' ' LEU . 16.4 p -86.43 -26.07 24.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 108.31 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -129.45 133.72 47.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.984 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -146.18 112.33 5.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -145.22 134.53 22.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.0 p -103.38 152.26 6.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.32 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -118.52 155.36 30.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.281 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.433 ' O ' ' CB ' ' A' ' 50' ' ' ASP . 0.1 OUTLIER -68.66 173.55 5.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.329 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.433 ' CB ' ' O ' ' A' ' 49' ' ' LYS . 8.7 t70 76.85 -56.92 0.54 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.463 ' O ' ' N ' ' A' ' 22' ' ' GLY . . . 153.08 43.98 0.02 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.454 1.096 . . . . 0.0 110.999 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -120.8 158.46 27.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 0.786 . . . . 0.0 111.002 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -145.35 167.44 27.44 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.525 1.14 . . . . 0.0 111.042 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.67 ' HE1' ' HG3' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -152.45 115.83 4.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 0.745 . . . . 0.0 111.023 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.703 HG23 ' CG2' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -130.59 147.99 33.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.67 ' HG3' ' HE1' ' A' ' 54' ' ' MET . 2.6 mt-10 -115.1 167.15 11.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.328 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.728 ' CE1' ' HB3' ' A' ' 39' ' ' ALA . 26.6 m-85 -139.34 147.97 42.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 111.024 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.427 HD21 ' HB3' ' A' ' 43' ' ' CYS . 23.9 mt -90.04 10.21 25.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -143.96 135.56 26.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 110.284 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.512 ' HB2' ' CE2' ' A' ' 16' ' ' PHE . 79.5 tttt -60.27 -55.86 28.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -48.9 -50.89 32.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.287 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -44.34 -46.26 9.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.427 ' HA ' ' CD2' ' A' ' 57' ' ' TYR . 17.7 ttp -55.26 -63.89 1.01 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.434 ' HA ' HD12 ' A' ' 67' ' ' LEU . 16.6 mt-10 -57.16 -43.3 82.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.274 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.564 ' CD1' ' HA ' ' A' ' 39' ' ' ALA . 30.8 t80 -50.16 -66.34 0.41 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 110.999 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 1.084 ' HB2' ' HB2' ' A' ' 39' ' ' ALA . . . -57.34 -38.74 74.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.828 HD23 HG12 ' A' ' 87' ' ' VAL . 20.1 mt -50.3 -58.49 5.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.46 ' O ' ' C ' ' A' ' 69' ' ' LYS . 21.0 mmt85 -72.73 -66.62 0.64 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.097 . . . . 0.0 110.334 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 68' ' ' ARG . 0.2 OUTLIER -35.22 -62.06 0.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.709 ' CD1' ' HB1' ' A' ' 66' ' ' ALA . 22.2 mt -64.15 -59.12 4.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.693 ' C ' ' O ' ' A' ' 70' ' ' LEU . 55.4 t0 10.17 93.45 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 20.0 t70 61.2 110.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.606 HG23 ' O ' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -152.48 157.34 41.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.386 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.5 ttpt -80.88 98.94 8.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -86.91 122.18 30.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 111.028 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.8 ttt-85 -88.28 114.22 24.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 110.336 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 60.4 p -69.81 163.27 26.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.994 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.18 -17.55 62.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.618 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.461 ' HB2' ' CB ' ' A' ' 26' ' ' SER . 3.2 mm-40 -93.56 6.05 49.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.268 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 91.64 -37.93 3.3 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.5 1.125 . . . . 0.0 111.019 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -46.27 132.03 10.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 0.737 . . . . 0.0 110.268 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 32.9 p -109.38 149.86 28.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.44 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 53.3 m -155.33 167.35 30.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.973 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -99.49 126.2 45.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.954 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.578 HG21 HD23 ' A' ' 23' ' ' LEU . 13.6 pt -121.46 133.22 68.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.327 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.82 147.6 23.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.333 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.828 HG12 HD23 ' A' ' 67' ' ' LEU . 1.9 t -120.47 114.23 43.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.343 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.575 ' CE1' ' O ' ' A' ' 19' ' ' LEU . 9.4 p90 -141.75 157.5 64.67 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 175.05 11.74 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.47 1.774 . . . . 0.0 111.02 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.776 ' HG2' HD11 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -97.88 147.97 23.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.284 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.428 ' NH1' ' HB3' ' A' ' 91' ' ' ARG . 4.0 ptp180 -88.52 148.29 24.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.263 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -158.96 117.31 2.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.02 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 88.3 p -179.54 166.77 1.42 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.038 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -163.27 147.03 12.37 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.523 1.139 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 74.82 3.9 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.529 1.805 . . . . 0.0 111.014 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 50.3 m -110.84 -60.95 1.76 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.537 1.148 . . . . 0.0 109.999 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 27.1 p -162.82 168.92 20.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.985 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.491 1.119 . . . . 0.0 110.999 -179.952 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.6 t -115.68 -58.26 2.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 0.777 . . . . 0.0 110.032 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.6 m -89.44 107.57 19.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.974 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.85 112.17 3.04 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.539 1.149 . . . . 0.0 110.999 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.1 m -73.18 129.02 37.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 0.77 . . . . 0.0 109.978 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.18 -55.39 32.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.984 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.45 61.72 5.16 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.486 1.116 . . . . 0.0 110.984 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 85.25 -145.27 21.24 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 165.5 31.19 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.455 1.766 . . . . 0.0 110.993 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 123.43 7.87 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.527 1.804 . . . . 0.0 110.968 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.8 t -62.82 152.12 36.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 110.378 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.76 85.06 1.81 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.28 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.24 176.12 7.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 110.294 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -41.09 145.93 0.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.993 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -97.77 38.13 1.33 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -124.93 111.28 15.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 110.968 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.443 ' N ' ' SD ' ' A' ' 63' ' ' MET . 1.7 ptt-85 -141.33 174.71 10.29 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.135 . . . . 0.0 110.326 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.831 HG23 HG23 ' A' ' 55' ' ' VAL . 36.0 m -131.38 130.81 63.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.09 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.591 ' HB2' ' CE2' ' A' ' 88' ' ' TYR . 0.9 OUTLIER -93.14 116.14 28.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.665 HG13 ' HB ' ' A' ' 85' ' ' ILE . 57.9 t -96.54 139.03 20.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.0 m -143.63 143.21 31.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.994 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 51' ' ' GLY . . . 96.96 41.78 3.45 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.494 1.121 . . . . 0.0 111.031 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.579 HD23 ' CD2' ' A' ' 75' ' ' PHE . 6.7 mt -89.34 158.33 46.32 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.523 0.778 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 171.6 18.0 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.508 1.794 . . . . 0.0 111.014 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -24.24 12.98 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.456 1.766 . . . . 0.0 110.983 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.3 m -105.3 -4.82 21.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.019 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -60.5 145.84 46.9 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.488 1.117 . . . . 0.0 110.998 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 45.4 m -122.77 -177.5 3.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 0.784 . . . . 0.0 109.969 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.707 ' HB3' HG22 ' A' ' 47' ' ' VAL . 54.7 p-90 -90.54 -35.87 14.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.14 . . . . 0.0 108.034 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.571 ' HG2' ' CZ3' ' A' ' 29' ' ' TRP . 46.3 mt-30 -49.3 -73.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.34 -40.34 34.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.799 HD23 ' C ' ' A' ' 32' ' ' LEU . 0.8 OUTLIER -55.29 -48.91 73.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.535 ' N ' HD23 ' A' ' 32' ' ' LEU . 19.3 ttpt -55.71 -60.98 2.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -42.69 -27.25 0.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.415 ' N ' ' C ' ' A' ' 33' ' ' LYS . 6.1 t-80 -86.37 -57.36 3.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.63 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.738 ' HG3' HG21 ' A' ' 55' ' ' VAL . 28.0 mmm -54.45 -38.95 66.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 111.011 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.485 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 8.3 mmm-85 -42.25 -26.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.312 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.481 ' C ' ' O ' ' A' ' 37' ' ' ARG . 4.5 mm-40 -31.6 -40.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.31 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 1.034 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . . . -64.8 -81.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -146.21 -127.1 1.83 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.515 1.135 . . . . 0.0 110.992 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -97.0 126.16 41.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 0.779 . . . . 0.0 109.268 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.521 HG11 HG12 ' A' ' 55' ' ' VAL . 9.3 t -94.1 114.07 30.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 45.6 t -86.77 -31.02 21.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 108.283 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.549 ' CG ' ' OE2' ' A' ' 56' ' ' GLU . 31.2 t80 -126.29 137.69 53.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 111.0 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -152.03 114.08 4.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.552 1.157 . . . . 0.0 109.319 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -140.21 162.95 34.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.707 HG22 ' HB3' ' A' ' 29' ' ' TRP . 0.9 OUTLIER -134.4 152.54 33.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.259 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -121.89 169.99 10.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 110.314 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.411 ' O ' ' CB ' ' A' ' 50' ' ' ASP . 1.5 tttm -73.55 175.01 7.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.411 ' CB ' ' O ' ' A' ' 49' ' ' LYS . 11.2 t0 75.74 -57.45 0.57 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.336 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 22' ' ' GLY . . . 151.17 44.18 0.02 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.442 1.089 . . . . 0.0 110.97 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -113.11 160.9 17.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 0.756 . . . . 0.0 110.96 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -155.53 167.48 33.04 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.467 1.104 . . . . 0.0 111.021 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.44 ' HE3' ' HD3' ' A' ' 17' ' ' ARG . 2.7 ttp -153.19 129.89 10.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 0.775 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.831 HG23 HG23 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -138.24 133.17 43.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.269 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.549 ' OE2' ' CG ' ' A' ' 44' ' ' TYR . 32.5 mt-10 -105.84 148.35 27.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.3 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.925 ' CE1' ' HB3' ' A' ' 39' ' ' ALA . 41.9 m-85 -119.92 142.11 49.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 111.022 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 21.7 mt -75.96 -17.62 59.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.432 ' HB3' ' NH1' ' A' ' 59' ' ' ARG . 6.1 mmm180 -118.17 139.01 51.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 110.265 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 40.7 tttt -61.29 -54.27 46.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.335 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -47.75 -53.69 14.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.287 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.401 ' O ' ' HB3' ' A' ' 65' ' ' TYR . 78.2 m-20 -40.19 -51.61 2.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.495 ' HA ' ' CD2' ' A' ' 57' ' ' TYR . 11.1 ttp -51.53 -63.78 1.02 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 111.006 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.475 ' HA ' HD12 ' A' ' 67' ' ' LEU . 21.6 mt-10 -56.57 -45.56 81.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.311 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.574 ' CD1' ' HA ' ' A' ' 39' ' ' ALA . 24.3 t80 -50.55 -64.53 0.78 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.977 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 1.034 ' HB2' ' HB2' ' A' ' 39' ' ' ALA . . . -58.49 -37.96 76.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.917 HD23 HG12 ' A' ' 87' ' ' VAL . 18.5 mt -51.54 -57.59 8.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.351 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.453 ' O ' ' C ' ' A' ' 69' ' ' LYS . 20.8 mmt180 -72.5 -66.26 0.68 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 110.303 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 68' ' ' ARG . 2.8 mptp? -35.83 -61.1 0.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.678 ' O ' HG23 ' A' ' 73' ' ' THR . 20.4 mt -65.86 -63.01 1.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.63 ' C ' ' O ' ' A' ' 70' ' ' LEU . 31.8 t70 18.21 87.94 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.578 ' OD1' ' CD2' ' A' ' 84' ' ' TYR . 31.1 t0 68.27 98.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.558 1.162 . . . . 0.0 109.286 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.678 HG23 ' O ' ' A' ' 70' ' ' LEU . 17.9 p -131.59 163.74 27.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 110.436 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.8 tttt -92.98 100.21 12.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.298 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.579 ' CD2' HD23 ' A' ' 23' ' ' LEU . 38.5 t80 -87.1 126.56 34.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.153 . . . . 0.0 110.955 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 31.9 ttp180 -96.44 114.94 26.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.297 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 31.8 p -71.61 157.83 37.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.987 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -58.4 -18.36 27.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.632 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -92.15 2.85 56.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 110.286 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 93.33 -38.36 3.17 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.515 1.134 . . . . 0.0 110.995 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -42.98 128.66 4.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 0.769 . . . . 0.0 110.285 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.9 p -106.95 147.36 29.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.373 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 32.8 m -151.57 158.07 43.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.003 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.578 ' CD2' ' OD1' ' A' ' 72' ' ' ASP . 0.2 OUTLIER -93.46 119.0 32.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.425 1.078 . . . . 0.0 110.966 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.665 ' HB ' HG13 ' A' ' 20' ' ' VAL . 5.3 pt -112.34 129.88 67.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.89 151.0 20.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.301 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.917 HG12 HD23 ' A' ' 67' ' ' LEU . 2.3 t -121.28 121.81 65.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.591 ' CE2' ' HB2' ' A' ' 19' ' ' LEU . 33.7 p90 -151.92 156.99 34.46 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 110.984 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.46 ' C ' HD23 ' A' ' 19' ' ' LEU . 18.2 Cg_endo -75.0 175.05 11.76 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.493 1.786 . . . . 0.0 111.008 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.417 ' CB ' HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -95.77 147.57 23.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -137.44 112.71 9.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.274 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.23 139.62 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.029 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 67.6 p -81.07 155.66 26.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 109.989 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -170.04 161.8 35.03 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.535 1.147 . . . . 0.0 110.944 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 100.64 1.38 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.465 1.771 . . . . 0.0 111.032 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.5 -58.51 3.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.003 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 15.8 m 59.29 107.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.016 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.531 1.144 . . . . 0.0 111.01 179.998 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 65.53 123.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 0.76 . . . . 0.0 109.994 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.9 t -138.13 153.55 49.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.006 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 119.85 -134.79 10.73 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.56 1.162 . . . . 0.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.3 p -134.43 106.72 7.19 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 0.743 . . . . 0.0 110.004 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.33 165.89 10.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.145 . . . . 0.0 110.015 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.53 157.08 48.99 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.494 1.121 . . . . 0.0 110.987 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -156.83 -145.88 4.32 Favored Glycine 0 CA--C 1.529 0.944 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 153.89 41.77 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.499 1.789 . . . . 0.0 110.993 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.749 ' O ' HG22 ' A' ' 11' ' ' THR . 18.2 Cg_endo -75.01 156.33 42.93 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.532 1.806 . . . . 0.0 110.981 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.749 HG22 ' O ' ' A' ' 10' ' ' PRO . 5.6 t 51.66 172.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.375 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.46 ' C ' ' CD ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -110.07 -142.18 0.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.318 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.486 ' N ' ' CD ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -158.53 -179.77 8.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.283 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -103.38 -73.46 0.67 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.965 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.594 ' OD2' ' CE1' ' A' ' 16' ' ' PHE . 7.8 t70 173.19 -56.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.594 ' CE1' ' OD2' ' A' ' 15' ' ' ASP . 7.7 m-85 -79.36 107.91 12.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 110.987 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.1 ptp85 -124.01 170.7 10.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.298 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.998 HG23 HG23 ' A' ' 55' ' ' VAL . 18.2 m -133.93 122.11 41.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.832 HD11 ' HG2' ' A' ' 90' ' ' GLU . 10.8 mt -82.11 125.99 31.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 50.5 t -111.14 136.49 47.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.339 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 57.1 p -142.73 152.38 42.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.01 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.544 ' C ' HG22 ' A' ' 85' ' ' ILE . . . 87.9 41.65 6.26 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.561 1.163 . . . . 0.0 110.999 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.484 HD23 ' CD2' ' A' ' 75' ' ' PHE . 5.2 mt -88.98 156.9 49.1 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.486 0.757 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 171.66 17.89 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.512 1.796 . . . . 0.0 110.936 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -17.52 19.45 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.478 1.778 . . . . 0.0 111.0 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 45.6 m -106.72 -14.66 14.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 110.05 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -39.24 148.15 0.13 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.511 1.132 . . . . 0.0 111.015 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.2 m -132.04 172.48 12.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 0.773 . . . . 0.0 110.017 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.581 ' CE3' ' N ' ' A' ' 30' ' ' GLN . 31.6 p-90 -83.34 -39.13 21.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 108.014 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.581 ' N ' ' CE3' ' A' ' 29' ' ' TRP . 0.2 OUTLIER -50.05 -71.08 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.336 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.89 -40.48 60.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 0.0 109.335 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.714 HD23 ' C ' ' A' ' 32' ' ' LEU . 3.0 tt -57.16 -51.97 67.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.518 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 13.4 tttt -54.49 -62.14 1.85 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -47.24 -23.39 0.54 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.42 ' N ' ' C ' ' A' ' 33' ' ' LYS . 5.6 t60 -86.82 -51.53 6.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.6 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.676 ' HG3' HG21 ' A' ' 55' ' ' VAL . 27.0 mmm -63.49 -41.01 98.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.135 . . . . 0.0 110.993 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.518 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 1.5 mmm180 -41.43 -26.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.496 ' C ' ' O ' ' A' ' 37' ' ' ARG . 2.9 mm-40 -30.98 -40.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.277 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 1.004 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . . . -63.99 -82.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -151.0 -133.06 2.0 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.506 1.129 . . . . 0.0 111.04 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.724 ' HB3' HD13 ' A' ' 58' ' ' LEU . 1.3 t70 -84.17 126.06 32.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 0.793 . . . . 0.0 109.299 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.415 HG11 ' HB2' ' A' ' 45' ' ' ALA . 73.1 t -86.3 125.26 40.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 6.3 t -90.23 -21.78 21.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 108.369 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.508 ' CD2' ' HE2' ' A' ' 54' ' ' MET . 76.0 t80 -154.69 145.67 22.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 111.016 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.415 ' HB2' HG11 ' A' ' 42' ' ' VAL . . . -152.39 117.89 5.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.401 ' HB2' ' CE2' ' A' ' 44' ' ' TYR . 1.1 t70 -147.85 160.65 42.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.123 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.5 p -135.6 145.0 32.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 109.312 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -119.25 169.89 9.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 110.285 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.409 ' O ' ' CB ' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -69.71 -177.7 1.31 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.276 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.409 ' CB ' ' O ' ' A' ' 49' ' ' LYS . 8.2 t70 75.51 -57.63 0.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.436 1.085 . . . . 0.0 109.331 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 22' ' ' GLY . . . 142.88 44.61 0.05 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.532 1.145 . . . . 0.0 111.007 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 6.7 mtt -125.92 158.48 35.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.442 0.731 . . . . 0.0 110.958 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -153.07 173.38 31.97 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.552 1.158 . . . . 0.0 110.992 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.508 ' HE2' ' CD2' ' A' ' 44' ' ' TYR . 4.0 ttp -152.08 136.8 17.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 0.78 . . . . 0.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.998 HG23 HG23 ' A' ' 18' ' ' VAL . 0.1 OUTLIER -137.97 142.38 36.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -120.26 139.53 52.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.318 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.505 ' CE1' ' HB3' ' A' ' 39' ' ' ALA . 40.8 m-85 -113.7 167.58 10.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 111.008 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.724 HD13 ' HB3' ' A' ' 41' ' ' ASP . 2.1 mp -94.66 -26.15 16.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.267 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.9 mmm-85 -112.59 140.74 47.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.329 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 65.5 tttt -59.88 -54.44 46.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.342 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -44.37 -54.14 6.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.258 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.408 ' O ' ' HB3' ' A' ' 65' ' ' TYR . 70.5 m-20 -40.48 -51.73 2.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 109.3 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.475 ' HG3' HG13 ' A' ' 18' ' ' VAL . 22.4 ttp -52.9 -65.34 0.58 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 111.035 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -53.84 -46.23 71.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.155 . . . . 0.0 110.289 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.59 ' CD1' ' HA ' ' A' ' 39' ' ' ALA . 25.1 t80 -50.21 -65.7 0.52 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 1.004 ' HB2' ' HB2' ' A' ' 39' ' ' ALA . . . -57.17 -38.71 74.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.85 HD23 HG12 ' A' ' 87' ' ' VAL . 20.5 mt -51.22 -56.79 11.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.465 ' O ' ' C ' ' A' ' 69' ' ' LYS . 2.4 mmt180 -73.1 -67.43 0.57 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.281 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.465 ' C ' ' O ' ' A' ' 68' ' ' ARG . 0.2 OUTLIER -34.92 -60.45 0.45 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.831 ' O ' HG23 ' A' ' 73' ' ' THR . 19.8 mt -66.13 -62.29 1.57 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.657 ' C ' ' O ' ' A' ' 70' ' ' LEU . 22.7 t0 15.89 89.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.453 ' N ' ' OD1' ' A' ' 72' ' ' ASP . 0.2 OUTLIER 65.52 101.17 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.439 1.087 . . . . 0.0 109.329 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.831 HG23 ' O ' ' A' ' 70' ' ' LEU . 6.1 p -133.83 170.59 15.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.424 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.3 tttt -96.34 99.56 11.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.484 ' CD2' HD23 ' A' ' 23' ' ' LEU . 40.8 t80 -88.56 133.32 34.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.988 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 13.2 ttp180 -112.13 115.5 28.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.307 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 92.8 p -67.89 174.28 3.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.005 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -74.23 -8.56 56.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.616 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -90.69 -5.37 55.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 110.3 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 98.23 -26.61 22.92 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.531 1.145 . . . . 0.0 111.02 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -53.99 156.32 3.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 0.749 . . . . 0.0 110.29 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.7 p -132.51 146.76 52.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 110.354 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 39.1 m -151.92 167.58 27.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 109.988 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -103.39 116.9 33.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.994 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.544 HG22 ' C ' ' A' ' 22' ' ' GLY . 11.6 pt -113.87 133.09 60.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.338 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.419 ' N ' ' HD3' ' A' ' 86' ' ' ARG . 0.0 OUTLIER -90.88 154.3 19.59 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.465 1.103 . . . . 0.0 110.301 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.85 HG12 HD23 ' A' ' 67' ' ' LEU . 1.8 t -123.11 113.55 38.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.133 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.49 ' CE2' ' HB2' ' A' ' 19' ' ' LEU . 8.7 p90 -139.68 157.17 70.53 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.991 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 167.19 27.6 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.506 1.793 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.832 ' HG2' HD11 ' A' ' 19' ' ' LEU . 1.6 tm-20 -84.99 111.65 19.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.33 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -117.08 161.45 19.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.2 m 50.74 97.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.018 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 21.3 t -173.88 79.65 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.999 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -95.85 -178.34 36.39 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.501 1.126 . . . . 0.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 134.27 17.55 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.468 1.773 . . . . 0.0 111.0 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.71 133.69 55.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.997 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 5.8 t 72.15 -67.93 0.24 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.962 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 O-C-N 124.426 1.079 . . . . 0.0 111.013 -179.982 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.4 m 57.29 109.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 0.795 . . . . 0.0 110.017 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.6 t -114.05 95.01 5.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.981 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.16 -138.46 5.34 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.465 1.103 . . . . 0.0 110.999 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.9 p -156.21 130.62 8.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 0.784 . . . . 0.0 109.987 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.3 p -78.17 119.62 21.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.015 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.58 92.43 0.16 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.552 1.158 . . . . 0.0 110.948 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -156.11 -92.87 0.09 OUTLIER Glycine 0 CA--C 1.531 1.043 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.402 ' HA ' ' HD3' ' A' ' 10' ' ' PRO . 18.1 Cg_endo -75.04 150.6 38.21 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.495 1.787 . . . . 0.0 110.972 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 9' ' ' PRO . 18.2 Cg_endo -74.98 135.84 19.66 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.472 1.775 . . . . 0.0 110.951 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.453 HG21 ' OE1' ' A' ' 56' ' ' GLU . 4.8 t -76.0 116.54 16.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.399 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.74 62.06 1.95 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.286 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.9 mpt_? -128.72 172.63 11.07 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.303 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 57.0 m -42.15 162.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.544 1.152 . . . . 0.0 109.94 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.583 ' O ' ' CD1' ' A' ' 16' ' ' PHE . 25.1 m-20 -112.2 70.3 0.71 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.459 1.099 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.583 ' CD1' ' O ' ' A' ' 15' ' ' ASP . 28.3 m-85 -148.89 98.28 2.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 110.988 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 11.8 ptp180 -121.9 177.8 5.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 110.259 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.905 HG23 HG23 ' A' ' 55' ' ' VAL . 12.6 m -135.05 122.64 37.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.0 mt -82.25 128.98 34.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.272 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.636 HG13 ' HB ' ' A' ' 85' ' ' ILE . 2.6 t -120.47 145.47 26.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.6 147.44 27.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.017 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 99.57 27.8 7.84 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.501 1.125 . . . . 0.0 111.038 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.482 HD12 ' O ' ' A' ' 51' ' ' GLY . 9.8 mt -70.54 155.95 92.65 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.485 0.756 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.41 ' HG2' ' CA ' ' A' ' 27' ' ' GLY . 18.3 Cg_endo -74.99 172.56 16.11 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.487 1.783 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -14.2 21.3 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.466 1.772 . . . . 0.0 111.009 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.8 m -112.07 -22.67 10.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.989 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.41 ' CA ' ' HG2' ' A' ' 24' ' ' PRO . . . -39.89 148.96 0.15 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.457 1.098 . . . . 0.0 111.053 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 93.3 p -134.82 169.03 17.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 0.771 . . . . 0.0 109.978 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.603 ' HB3' HG23 ' A' ' 47' ' ' VAL . 32.0 p-90 -72.38 -38.1 68.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 108.009 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.549 ' N ' ' CE3' ' A' ' 29' ' ' TRP . 0.0 OUTLIER -54.29 -71.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.292 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.51 -33.61 45.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.742 HD23 ' C ' ' A' ' 32' ' ' LEU . 2.1 tt -61.76 -51.72 67.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.54 1.15 . . . . 0.0 109.261 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.489 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 17.5 ttpt -55.5 -59.98 4.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.263 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -40.36 -29.21 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 109.295 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.435 ' N ' ' O ' ' A' ' 33' ' ' LYS . 3.5 t-160 -85.16 -60.53 2.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.639 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.667 ' HG3' HG21 ' A' ' 55' ' ' VAL . 28.7 mmm -50.98 -37.68 46.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.998 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.489 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 6.9 mmm180 -43.84 -25.14 0.17 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.46 1.1 . . . . 0.0 110.253 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.478 ' C ' ' O ' ' A' ' 37' ' ' ARG . 5.8 mm-40 -31.92 -40.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.302 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 1.071 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . . . -60.38 -72.29 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -156.73 -111.32 0.34 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.499 1.124 . . . . 0.0 110.996 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -114.37 121.74 44.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 0.777 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.581 HG11 HG12 ' A' ' 55' ' ' VAL . 14.2 t -85.58 127.8 39.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.605 ' HB2' HD21 ' A' ' 58' ' ' LEU . 19.2 t -89.66 -34.14 16.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 108.314 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 58.6 t80 -143.84 142.75 31.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -148.13 119.99 8.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.416 1.072 . . . . 0.0 109.297 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -134.96 166.8 22.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.603 HG23 ' HB3' ' A' ' 29' ' ' TRP . 54.8 t -137.34 142.91 35.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -117.65 166.54 12.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.274 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.565 ' O ' ' CB ' ' A' ' 50' ' ' ASP . 48.6 pttt -66.14 165.73 13.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.565 ' CB ' ' O ' ' A' ' 49' ' ' LYS . 4.0 t70 88.12 -34.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.482 ' O ' HD12 ' A' ' 23' ' ' LEU . . . 125.89 5.95 6.14 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.479 1.112 . . . . 0.0 110.985 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.4 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER -74.05 157.72 35.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 0.754 . . . . 0.0 110.999 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -149.05 163.79 29.16 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.515 1.134 . . . . 0.0 111.044 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -148.14 138.11 22.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 0.77 . . . . 0.0 110.988 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.905 HG23 HG23 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -144.26 121.65 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.453 ' OE1' HG21 ' A' ' 11' ' ' THR . 0.8 OUTLIER -99.52 116.89 32.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.267 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.766 ' CE1' ' HB3' ' A' ' 39' ' ' ALA . 27.6 m-85 -86.02 176.43 8.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 111.032 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.605 HD21 ' HB2' ' A' ' 43' ' ' CYS . 13.5 mt -101.66 -24.43 14.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.16 . . . . 0.0 109.33 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -121.87 143.59 49.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 69.3 tttt -59.92 -54.64 43.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.273 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.15 -55.31 2.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.266 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.558 ' HB3' ' HB1' ' A' ' 39' ' ' ALA . 49.9 m-20 -43.01 -50.99 5.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.122 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.492 ' HG3' HG13 ' A' ' 18' ' ' VAL . 16.3 ttp -50.31 -65.67 0.52 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.974 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.424 ' HA ' HD12 ' A' ' 67' ' ' LEU . 17.6 mt-10 -56.74 -45.35 82.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.272 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.583 ' CD1' ' HA ' ' A' ' 39' ' ' ALA . 20.0 t80 -50.7 -63.41 1.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.984 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 1.071 ' HB2' ' HB2' ' A' ' 39' ' ' ALA . . . -59.37 -37.39 77.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.94 HD23 HG12 ' A' ' 87' ' ' VAL . 18.9 mt -52.2 -56.21 16.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.448 ' O ' ' C ' ' A' ' 69' ' ' LYS . 22.2 mmt180 -73.18 -66.3 0.7 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 110.315 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 68' ' ' ARG . 1.8 mptm? -36.5 -60.53 0.58 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.86 ' HB2' HG21 ' A' ' 87' ' ' VAL . 18.1 mt -65.98 -62.28 1.58 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.635 ' C ' ' O ' ' A' ' 70' ' ' LEU . 38.7 t70 17.7 79.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 18.9 t0 73.68 104.92 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.739 HG23 ' O ' ' A' ' 70' ' ' LEU . 16.0 p -138.38 169.33 17.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.443 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.2 ttmt -95.98 98.95 10.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -85.81 132.29 34.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 110.982 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.7 ttp180 -108.01 111.56 23.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 110.334 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 85.3 p -64.0 172.12 2.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.976 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -72.89 -13.55 61.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.604 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -92.63 -4.97 52.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 110.273 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 102.66 -34.3 5.85 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.557 1.161 . . . . 0.0 111.037 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -42.83 149.22 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.562 0.801 . . . . 0.0 110.281 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.0 p -128.38 146.46 50.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 110.426 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 35.5 m -152.94 161.06 43.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 110.019 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -100.09 109.89 22.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.963 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.636 ' HB ' HG13 ' A' ' 20' ' ' VAL . 6.7 pt -106.52 130.48 58.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.335 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.7 148.69 22.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.33 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.94 HG12 HD23 ' A' ' 67' ' ' LEU . 2.2 t -114.56 119.3 61.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 109.301 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.431 ' HA ' HD22 ' A' ' 67' ' ' LEU . 13.7 p90 -148.51 157.63 41.41 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.537 1.148 . . . . 0.0 110.982 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 179.74 5.78 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.535 1.808 . . . . 0.0 111.004 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.456 ' O ' ' NE ' ' A' ' 91' ' ' ARG . 0.2 OUTLIER -82.97 148.2 27.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 0.0 110.302 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.456 ' NE ' ' O ' ' A' ' 90' ' ' GLU . 0.0 OUTLIER 38.51 -158.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.255 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.8 t -153.05 121.66 6.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.019 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 50.55 85.28 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 110.017 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -84.72 -139.35 4.46 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.511 1.132 . . . . 0.0 111.018 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 115.12 4.19 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.435 1.756 . . . . 0.0 111.0 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 58.9 m -66.12 161.09 22.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.007 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 63.18 165.51 0.12 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 110.004 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.944 0 O-C-N 124.48 1.113 . . . . 0.0 111.011 -179.984 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.2 t -144.86 87.54 1.85 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 0.781 . . . . 0.0 109.947 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.63 -58.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.022 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.52 71.1 0.01 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.484 1.115 . . . . 0.0 110.999 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -131.07 143.22 50.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 0.788 . . . . 0.0 109.994 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 t -46.48 132.69 10.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.022 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.36 -146.75 4.42 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.459 1.1 . . . . 0.0 110.992 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 54.82 -145.91 28.24 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 164.22 33.81 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.535 1.808 . . . . 0.0 111.0 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 155.24 43.15 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.522 1.801 . . . . 0.0 110.983 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.0 t -48.15 164.0 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.355 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.88 116.76 0.17 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.293 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.89 170.86 14.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.132 . . . . 0.0 110.294 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 37.5 m -69.78 -90.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.979 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -168.25 -47.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.262 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.497 ' CE2' ' HB2' ' A' ' 60' ' ' LYS . 30.1 m-85 -49.33 110.02 0.33 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 111.003 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -132.61 177.96 7.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.871 HG23 HG23 ' A' ' 55' ' ' VAL . 30.1 m -133.32 118.51 31.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.465 ' O ' ' CD1' ' A' ' 88' ' ' TYR . 30.0 mt -82.67 126.43 32.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.57 HG12 HD21 ' A' ' 23' ' ' LEU . 84.3 t -117.23 139.83 42.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 86.9 p -146.78 127.41 14.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.991 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 130.0 -0.95 5.8 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.525 1.14 . . . . 0.0 111.055 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.812 HD13 HG21 ' A' ' 85' ' ' ILE . 3.8 mm? -40.67 155.24 0.2 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.524 0.779 . . . . 0.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.505 ' HG2' ' CA ' ' A' ' 27' ' ' GLY . 18.3 Cg_endo -74.96 174.36 12.9 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.466 1.772 . . . . 0.0 111.029 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -18.08 19.07 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.518 1.799 . . . . 0.0 111.023 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 41.6 m -120.61 9.18 10.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 110.019 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.505 ' CA ' ' HG2' ' A' ' 24' ' ' PRO . . . -53.93 161.53 3.79 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.543 1.152 . . . . 0.0 110.999 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.5 m -143.03 147.17 34.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 0.759 . . . . 0.0 109.953 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.596 ' CE3' ' N ' ' A' ' 30' ' ' GLN . 53.8 p-90 -62.3 -49.08 77.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 108.023 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.596 ' N ' ' CE3' ' A' ' 29' ' ' TRP . 0.0 OUTLIER -42.56 -72.34 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.266 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.07 -47.31 68.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.747 HD12 HD11 ' A' ' 23' ' ' LEU . 3.5 tt -46.99 -53.59 12.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.659 ' HG3' HG11 ' A' ' 42' ' ' VAL . 16.1 ttpt -55.34 -60.19 3.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 33' ' ' LYS . 84.8 m-20 -36.8 -33.16 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.457 ' N ' ' O ' ' A' ' 33' ' ' LYS . 10.3 t-80 -80.8 -52.92 6.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.583 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.705 ' HG3' HG21 ' A' ' 55' ' ' VAL . 31.5 mmm -56.49 -40.3 74.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.51 ' HG2' HG21 ' A' ' 42' ' ' VAL . 10.4 mtm180 -40.41 -27.54 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.306 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.49 ' C ' ' O ' ' A' ' 37' ' ' ARG . 4.6 mm-40 -30.92 -40.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.293 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 1.054 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . . . -65.72 -78.93 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -150.95 -132.73 1.97 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.527 1.142 . . . . 0.0 111.011 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -90.19 123.18 33.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 0.79 . . . . 0.0 109.264 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.659 HG11 ' HG3' ' A' ' 33' ' ' LYS . 3.5 t -88.4 124.15 41.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.635 ' HB2' HD21 ' A' ' 58' ' ' LEU . 37.0 t -91.56 -29.02 17.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 108.245 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.564 ' CD1' ' HE2' ' A' ' 54' ' ' MET . 19.4 t80 -138.08 137.34 37.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 111.013 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.431 ' HB1' ' HB2' ' A' ' 33' ' ' LYS . . . -152.43 121.08 6.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.333 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -153.5 171.2 19.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.57 HG12 ' HB3' ' A' ' 29' ' ' TRP . 1.5 p -139.95 141.26 34.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -107.07 157.5 17.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.115 . . . . 0.0 110.305 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.4 ' O ' ' CB ' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -52.63 173.09 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.4 ' CB ' ' O ' ' A' ' 49' ' ' LYS . 0.9 OUTLIER 74.97 -57.04 0.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 109.307 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 148.31 44.01 0.03 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.53 1.144 . . . . 0.0 110.979 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.5 ' O ' HG23 ' A' ' 47' ' ' VAL . 0.4 OUTLIER -106.09 153.27 22.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 0.778 . . . . 0.0 110.995 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -143.44 156.46 26.57 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.526 1.141 . . . . 0.0 110.957 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.564 ' HE2' ' CD1' ' A' ' 44' ' ' TYR . 2.5 ttp -150.43 121.75 7.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 0.749 . . . . 0.0 110.984 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.871 HG23 HG23 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -132.28 137.23 54.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.459 ' HG3' ' CE ' ' A' ' 54' ' ' MET . 3.0 mt-10 -115.41 129.75 56.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.305 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.851 ' CE1' ' HB3' ' A' ' 39' ' ' ALA . 45.0 m-85 -98.78 160.24 14.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.635 HD21 ' HB2' ' A' ' 43' ' ' CYS . 18.3 mt -90.02 -19.62 24.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 21.4 mmt180 -118.68 137.54 53.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.152 . . . . 0.0 110.327 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.497 ' HB2' ' CE2' ' A' ' 16' ' ' PHE . 17.0 tttt -56.97 -53.1 61.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -45.98 -54.66 7.97 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.505 1.128 . . . . 0.0 110.287 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -41.34 -49.05 3.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.423 ' HG3' HG13 ' A' ' 18' ' ' VAL . 12.3 ttp -52.9 -68.63 0.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 111.002 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.432 ' HA ' HD12 ' A' ' 67' ' ' LEU . 13.5 mt-10 -53.93 -44.25 70.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 110.288 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.575 ' CD1' ' HA ' ' A' ' 39' ' ' ALA . 32.6 t80 -50.58 -67.84 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 111.015 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 1.054 ' HB2' ' HB2' ' A' ' 39' ' ' ALA . . . -56.77 -37.63 71.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.924 HD23 HG12 ' A' ' 87' ' ' VAL . 19.7 mt -50.78 -59.99 3.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.453 ' O ' ' C ' ' A' ' 69' ' ' LYS . 9.6 mtt85 -71.91 -65.28 0.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.263 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 68' ' ' ARG . 8.1 mptt -35.78 -61.88 0.45 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.82 ' O ' HG23 ' A' ' 73' ' ' THR . 21.6 mt -65.56 -63.67 1.04 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.088 . . . . 0.0 109.273 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.622 ' C ' ' O ' ' A' ' 70' ' ' LEU . 33.1 t70 20.33 87.48 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 23.2 t0 65.02 104.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.15 . . . . 0.0 109.317 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.82 HG23 ' O ' ' A' ' 70' ' ' LEU . 7.2 p -139.93 169.49 17.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.103 . . . . 0.0 110.381 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 16.7 ttpt -94.1 98.26 10.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.108 . . . . 0.0 109.363 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.531 ' CE1' ' HA ' ' A' ' 32' ' ' LEU . 9.4 t80 -85.96 132.39 34.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 111.002 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.0 ttt180 -109.23 111.11 22.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 99.1 p -68.31 -175.1 0.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.984 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -81.06 -12.63 59.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.632 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -95.87 0.81 52.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 0.0 110.323 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.516 ' O ' HG23 ' A' ' 82' ' ' THR . . . 90.26 -32.17 5.07 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.52 1.137 . . . . 0.0 110.986 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -49.8 115.78 1.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.434 0.726 . . . . 0.0 110.309 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.516 HG23 ' O ' ' A' ' 80' ' ' GLY . 20.5 p -99.52 152.68 19.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.378 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.2 m -154.84 163.0 40.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 110.02 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -96.27 110.39 22.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.812 HG21 HD13 ' A' ' 23' ' ' LEU . 6.7 pt -108.84 129.93 62.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.05 149.92 21.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.286 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.924 HG12 HD23 ' A' ' 67' ' ' LEU . 2.2 t -116.73 119.21 61.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.465 ' CD1' ' O ' ' A' ' 19' ' ' LEU . 24.3 p90 -146.62 158.33 46.57 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -173.69 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.515 1.797 . . . . 0.0 110.99 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.68 55.39 0.79 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 110.315 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 47.5 92.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.348 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 35.0 p -143.79 150.76 39.03 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.995 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 51.6 m -164.0 158.81 20.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.014 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 98.48 155.1 29.27 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.494 1.121 . . . . 0.0 110.981 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 141.87 27.21 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.508 1.793 . . . . 0.0 110.985 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 58.9 p -110.8 133.77 53.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 110.054 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -172.32 98.07 0.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.03 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.472 1.107 . . . . 0.0 111.009 -179.998 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.7 m -69.43 163.41 25.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 0.748 . . . . 0.0 109.992 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.0 p -132.87 110.1 10.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.01 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.07 66.9 0.13 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.498 1.124 . . . . 0.0 111.026 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 t -130.85 -59.13 1.01 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 0.744 . . . . 0.0 110.031 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.05 125.79 21.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.142 . . . . 0.0 109.974 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.63 -90.98 0.1 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.437 1.086 . . . . 0.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 63.19 142.7 0.01 OUTLIER Glycine 0 CA--C 1.53 0.977 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 166.64 28.79 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.445 1.76 . . . . 0.0 111.039 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 127.19 10.5 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.567 1.825 . . . . 0.0 111.034 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.4 m -104.92 144.17 32.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.409 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.419 ' HG2' ' NH2' ' A' ' 17' ' ' ARG . 10.8 mtm180 -123.48 86.24 2.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.262 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.9 mtp85 -61.44 -18.65 59.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 110.292 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.0 m -126.75 -96.97 0.42 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.969 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 42.1 t0 177.81 -49.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.42 ' HA ' ' SD ' ' A' ' 63' ' ' MET . 12.0 m-85 -82.37 110.07 17.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.57 1.169 . . . . 0.0 111.008 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.423 ' NH1' ' HG3' ' A' ' 90' ' ' GLU . 0.3 OUTLIER -136.22 177.02 8.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.284 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.804 HG23 HG23 ' A' ' 55' ' ' VAL . 31.5 m -134.96 123.9 41.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 13.0 mt -86.22 120.71 27.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.648 HG12 HD21 ' A' ' 23' ' ' LEU . 84.3 t -107.92 138.39 34.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 83.5 p -148.39 128.61 13.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.983 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.459 ' C ' HG22 ' A' ' 85' ' ' ILE . . . 127.53 1.06 6.64 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.566 1.166 . . . . 0.0 110.989 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.674 HD11 HD12 ' A' ' 32' ' ' LEU . 3.9 mm? -41.03 154.3 0.22 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.471 0.748 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.5 ' HG2' ' CA ' ' A' ' 27' ' ' GLY . 18.4 Cg_endo -74.98 174.92 11.95 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.487 1.783 . . . . 0.0 111.046 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -19.11 18.27 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.468 1.773 . . . . 0.0 111.037 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.0 m -120.77 12.07 11.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.009 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.5 ' CA ' ' HG2' ' A' ' 24' ' ' PRO . . . -57.4 162.98 7.7 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.535 1.147 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.2 m -143.1 149.07 37.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 0.767 . . . . 0.0 109.981 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.629 ' HB3' HG12 ' A' ' 47' ' ' VAL . 48.0 p-90 -65.41 -40.97 94.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 107.992 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.569 ' HG3' ' CZ3' ' A' ' 29' ' ' TRP . 2.3 tt0 -50.02 -68.75 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.288 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.419 ' HB3' ' CE1' ' A' ' 75' ' ' PHE . 0.8 OUTLIER -55.31 -44.1 75.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.792 HD23 ' C ' ' A' ' 32' ' ' LEU . 1.3 tt -50.65 -49.47 56.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.472 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 9.6 tttt -57.77 -60.47 3.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 0.0 109.249 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -40.34 -29.37 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.432 ' N ' ' O ' ' A' ' 33' ' ' LYS . 6.7 t60 -82.75 -64.63 1.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.63 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.651 ' HG3' HG21 ' A' ' 55' ' ' VAL . 29.9 mmm -46.67 -39.37 11.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 111.035 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.485 ' O ' ' C ' ' A' ' 38' ' ' GLU . 4.8 mmm180 -43.76 -24.88 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 110.33 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.485 ' C ' ' O ' ' A' ' 37' ' ' ARG . 0.4 OUTLIER -31.77 -40.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.285 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 1.071 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . . . -64.55 -78.42 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.108 . . . . 0.0 109.338 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -149.13 -124.75 1.36 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.551 1.157 . . . . 0.0 110.999 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -98.96 124.43 43.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 0.759 . . . . 0.0 109.289 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.472 HG11 HG12 ' A' ' 55' ' ' VAL . 21.4 t -92.43 121.43 43.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 0.0 109.261 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.447 ' HB2' HD21 ' A' ' 58' ' ' LEU . 42.9 t -88.67 -29.32 19.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 108.298 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.716 ' CD1' ' HE2' ' A' ' 54' ' ' MET . 12.1 t80 -133.65 134.38 43.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.986 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -152.23 126.77 9.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.454 ' HA ' ' CB ' ' A' ' 29' ' ' TRP . 0.4 OUTLIER -159.15 173.27 16.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.629 HG12 ' HB3' ' A' ' 29' ' ' TRP . 2.3 p -141.6 139.32 31.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -105.46 162.68 13.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.328 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.37 174.02 0.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.8 t70 74.05 -57.63 0.61 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.417 1.073 . . . . 0.0 109.306 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 148.6 44.7 0.03 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.462 1.101 . . . . 0.0 110.977 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.446 ' O ' HG23 ' A' ' 47' ' ' VAL . 2.9 mtp -111.12 164.01 13.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 0.764 . . . . 0.0 111.0 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -158.41 166.74 34.35 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.553 1.158 . . . . 0.0 110.954 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.716 ' HE2' ' CD1' ' A' ' 44' ' ' TYR . 2.3 ttp -154.79 121.58 5.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 0.786 . . . . 0.0 110.974 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.804 HG23 HG23 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -129.09 135.07 62.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.272 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.408 ' HG2' ' CB ' ' A' ' 17' ' ' ARG . 2.7 mt-10 -113.0 127.58 56.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.246 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.863 ' CE1' ' HB3' ' A' ' 39' ' ' ALA . 37.3 m-85 -96.56 153.82 17.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 111.023 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.447 HD21 ' HB2' ' A' ' 43' ' ' CYS . 19.2 mt -84.97 -27.5 26.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -110.08 138.82 45.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 110.304 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 48.3 tttt -58.58 -55.86 29.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.06 -54.3 5.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.299 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -42.15 -48.7 4.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.449 ' HA ' ' CD2' ' A' ' 57' ' ' TYR . 16.8 ttp -52.6 -67.35 0.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -55.27 -44.29 75.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.269 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.578 ' CD1' ' HA ' ' A' ' 39' ' ' ALA . 29.4 t80 -50.54 -66.96 0.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.998 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 1.071 ' HB2' ' HB2' ' A' ' 39' ' ' ALA . . . -57.27 -38.05 73.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.901 HD23 HG12 ' A' ' 87' ' ' VAL . 19.0 mt -50.85 -59.07 4.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.257 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.46 ' O ' ' C ' ' A' ' 69' ' ' LYS . 26.6 mmt180 -72.24 -65.95 0.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.31 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 68' ' ' ARG . 3.0 mptp? -35.5 -61.76 0.44 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.544 1.153 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.796 ' O ' HG23 ' A' ' 73' ' ' THR . 22.0 mt -65.45 -62.66 1.4 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.641 ' C ' ' O ' ' A' ' 70' ' ' LEU . 31.1 t70 17.09 81.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 12.6 t0 73.32 103.24 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.796 HG23 ' O ' ' A' ' 70' ' ' LEU . 18.1 p -140.17 167.79 21.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 110.355 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.9 ttpt -95.64 99.02 10.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.435 1.084 . . . . 0.0 109.276 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.522 ' CE1' ' HA ' ' A' ' 32' ' ' LEU . 11.9 t80 -87.27 119.94 28.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 111.013 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 50.2 ttt180 -96.57 109.71 22.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.31 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 96.4 p -65.74 -173.1 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.592 1.183 . . . . 0.0 110.008 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.513 ' CE1' ' HG2' ' A' ' 79' ' ' GLU . 0.1 OUTLIER -81.76 -10.71 59.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.588 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.513 ' HG2' ' CE1' ' A' ' 78' ' ' HIS . 3.9 mm-40 -96.76 3.04 52.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.112 . . . . 0.0 110.312 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.434 ' O ' HG23 ' A' ' 82' ' ' THR . . . 89.57 -33.26 4.43 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.509 1.131 . . . . 0.0 111.018 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -50.52 132.32 25.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 0.788 . . . . 0.0 110.33 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.434 HG23 ' O ' ' A' ' 80' ' ' GLY . 65.8 p -118.63 153.55 34.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.132 . . . . 0.0 110.384 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.1 m -152.67 160.83 43.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.012 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -90.98 106.1 18.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.104 . . . . 0.0 111.014 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.511 HG21 HD13 ' A' ' 23' ' ' LEU . 3.3 pt -105.84 129.52 58.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.77 155.76 18.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.337 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.901 HG12 HD23 ' A' ' 67' ' ' LEU . 2.3 t -122.86 119.47 58.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.346 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 23.9 p90 -148.73 156.74 41.45 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 110.975 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 177.3 8.79 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.55 1.816 . . . . 0.0 111.027 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.423 ' HG3' ' NH1' ' A' ' 17' ' ' ARG . 0.4 OUTLIER -80.57 128.08 33.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.313 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 8.1 ttt180 -106.51 139.98 40.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.328 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 6.4 t 65.15 82.63 0.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 110.01 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 75.7 m -74.47 130.17 39.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.437 1.086 . . . . 0.0 109.976 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -59.21 151.8 34.47 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.483 1.114 . . . . 0.0 111.01 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 -178.71 4.33 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.482 1.78 . . . . 0.0 111.032 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -151.65 94.87 2.05 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.524 1.14 . . . . 0.0 109.988 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.86 131.29 53.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 110.014 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.493 1.121 . . . . 0.0 110.985 179.976 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.15 95.32 9.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 0.753 . . . . 0.0 110.014 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.03 126.13 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 110.021 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.67 109.27 0.83 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.472 1.108 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.4 t -92.4 171.09 9.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 0.759 . . . . 0.0 110.017 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -132.18 81.77 1.98 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.11 . . . . 0.0 109.999 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.34 145.71 15.88 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.519 1.137 . . . . 0.0 110.963 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 110.82 92.85 2.17 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.411 ' HA ' ' HD3' ' A' ' 10' ' ' PRO . 18.2 Cg_endo -75.0 150.61 38.42 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.498 1.789 . . . . 0.0 111.007 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 9' ' ' PRO . 18.2 Cg_endo -75.06 105.12 2.02 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.51 1.795 . . . . 0.0 111.001 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.448 HG22 ' N ' ' A' ' 12' ' ' ARG . 2.9 m -59.69 168.35 1.72 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.427 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.448 ' N ' HG22 ' A' ' 11' ' ' THR . 0.0 OUTLIER -105.99 -151.02 0.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.286 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.404 ' H ' ' CD ' ' A' ' 12' ' ' ARG . 24.1 mmm-85 71.0 2.85 4.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.284 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.1 p 174.44 163.82 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.99 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -137.11 18.99 2.98 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.444 1.09 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -125.74 107.72 10.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.995 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.515 HH22 ' N ' ' A' ' 90' ' ' GLU . 0.0 OUTLIER -135.15 179.25 6.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 110.311 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.697 ' CG2' HG23 ' A' ' 55' ' ' VAL . 14.6 m -134.08 148.87 30.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.544 1.153 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.7 mt -99.95 120.9 40.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.421 HG13 ' HB ' ' A' ' 85' ' ' ILE . 76.7 t -105.58 134.67 46.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.42 ' O ' ' HA ' ' A' ' 85' ' ' ILE . 11.2 p -140.89 152.69 45.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.019 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.468 ' C ' HG22 ' A' ' 85' ' ' ILE . . . 82.61 45.82 6.67 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.455 1.097 . . . . 0.0 110.957 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.518 ' HG ' HG21 ' A' ' 85' ' ' ILE . 3.8 mt -91.39 158.47 40.84 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.538 0.787 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 171.76 17.69 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.446 1.761 . . . . 0.0 111.025 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -23.63 13.59 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.526 1.803 . . . . 0.0 111.031 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.1 m -102.39 -3.8 26.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.036 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -56.39 147.06 32.44 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.524 1.14 . . . . 0.0 110.997 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 m -131.81 -178.22 4.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 0.786 . . . . 0.0 110.037 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.518 ' CE3' ' N ' ' A' ' 30' ' ' GLN . 41.9 p-90 -88.06 -39.4 14.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 107.965 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.518 ' N ' ' CE3' ' A' ' 29' ' ' TRP . 0.3 OUTLIER -50.77 -70.63 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.282 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.2 -38.15 62.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.636 HD23 ' C ' ' A' ' 32' ' ' LEU . 4.8 tt -56.37 -55.27 35.55 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.514 1.133 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.487 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 11.2 ttpt -53.86 -59.46 4.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -41.91 -27.96 0.14 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.429 ' N ' ' C ' ' A' ' 33' ' ' LYS . 6.1 t60 -87.65 -55.46 3.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.566 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.663 ' HG3' HG21 ' A' ' 55' ' ' VAL . 28.8 mmm -55.73 -36.83 67.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.998 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.487 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 5.1 mmm180 -43.87 -24.7 0.15 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.324 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.476 ' C ' ' O ' ' A' ' 37' ' ' ARG . 4.5 mm-40 -31.93 -40.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 110.276 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 1.014 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . . . -62.5 -76.36 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -150.51 -120.14 0.95 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.469 1.105 . . . . 0.0 111.0 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -108.61 122.45 47.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 0.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.66 HG11 HG12 ' A' ' 55' ' ' VAL . 6.0 t -85.84 133.2 30.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.59 ' HB2' HD21 ' A' ' 58' ' ' LEU . 37.7 t -93.37 -32.84 14.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 108.31 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.506 ' CZ ' ' HB2' ' A' ' 46' ' ' ASP . 70.6 t80 -144.14 151.22 39.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 111.007 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -152.21 122.55 7.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.334 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.506 ' HB2' ' CZ ' ' A' ' 44' ' ' TYR . 27.3 t0 -133.85 160.22 38.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.258 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 5.7 p -140.82 140.3 33.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -115.4 170.13 8.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.312 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.437 ' O ' ' CB ' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -69.25 179.07 2.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.437 ' CB ' ' O ' ' A' ' 49' ' ' LYS . 1.1 t70 78.04 -58.37 0.46 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.26 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 22' ' ' GLY . . . 146.74 44.58 0.04 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.497 1.123 . . . . 0.0 110.954 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -117.68 153.94 32.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 0.754 . . . . 0.0 110.996 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -144.96 168.92 26.84 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.473 1.108 . . . . 0.0 111.064 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -154.86 130.39 9.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 0.765 . . . . 0.0 110.989 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.697 HG23 ' CG2' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -135.02 131.93 53.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.466 ' CG ' ' HB3' ' A' ' 17' ' ' ARG . 0.9 OUTLIER -105.69 114.72 29.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.307 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.789 ' CE1' ' HB3' ' A' ' 39' ' ' ALA . 27.4 m-85 -85.47 169.86 13.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 111.004 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.59 HD21 ' HB2' ' A' ' 43' ' ' CYS . 33.1 mt -109.11 12.2 25.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 109.33 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 24.0 mmt180 -149.39 136.44 19.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.32 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 61.1 tttt -62.07 -57.19 12.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.362 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.85 -50.89 17.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.294 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -50.66 -45.65 58.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.451 ' HA ' ' CD2' ' A' ' 57' ' ' TYR . 9.6 ttp -52.02 -55.49 20.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 111.042 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.43 ' HA ' HD12 ' A' ' 67' ' ' LEU . 21.7 mt-10 -65.52 -43.82 88.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 110.298 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.572 ' CD1' ' HA ' ' A' ' 39' ' ' ALA . 13.6 t80 -49.09 -59.19 3.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.99 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 1.014 ' HB2' ' HB2' ' A' ' 39' ' ' ALA . . . -61.0 -39.12 88.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.785 HD23 HG12 ' A' ' 87' ' ' VAL . 19.2 mt -51.76 -55.62 18.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 109.349 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.457 ' O ' ' C ' ' A' ' 69' ' ' LYS . 0.3 OUTLIER -72.65 -67.48 0.55 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 110.266 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.457 ' C ' ' O ' ' A' ' 68' ' ' ARG . 14.5 mptt -35.99 -61.56 0.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.795 ' HB2' HG21 ' A' ' 87' ' ' VAL . 22.9 mt -64.54 -62.29 1.68 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.237 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.644 ' C ' ' O ' ' A' ' 70' ' ' LEU . 62.5 t0 17.14 71.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.475 ' CB ' ' O ' ' A' ' 71' ' ' ASP . 8.3 t0 81.24 108.59 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.093 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.634 HG23 ' O ' ' A' ' 70' ' ' LEU . 29.1 p -141.82 173.73 11.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.426 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.2 ttmt -96.38 103.81 15.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.324 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.468 ' CD2' HD23 ' A' ' 23' ' ' LEU . 35.1 t80 -94.17 120.82 34.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 111.01 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 39.6 ttt-85 -98.58 115.16 28.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.296 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 32.5 p -68.6 169.77 10.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.992 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -69.54 -14.47 62.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 109.635 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -91.91 4.69 52.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 110.279 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 89.95 -27.38 8.26 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.489 1.118 . . . . 0.0 110.977 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -54.79 136.89 45.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 0.756 . . . . 0.0 110.29 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 24.5 p -116.24 148.74 40.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.413 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 17.0 m -150.45 164.87 34.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.044 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -103.32 111.2 23.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 111.042 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.518 HG21 ' HG ' ' A' ' 23' ' ' LEU . 3.7 pt -108.61 130.09 61.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 109.316 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.2 mmm-85 -90.95 145.01 25.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.277 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.795 HG21 ' HB2' ' A' ' 70' ' ' LEU . 2.1 t -111.13 115.05 48.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.549 1.155 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 19.4 p90 -144.02 161.66 44.4 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.98 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.408 ' HA ' ' NH2' ' A' ' 17' ' ' ARG . 18.3 Cg_endo -75.0 -166.81 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.518 1.799 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.515 ' N ' HH22 ' A' ' 17' ' ' ARG . 28.2 tt0 -95.66 153.74 17.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 110.274 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -90.58 106.03 18.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.261 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 65.55 146.98 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 110.009 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 77.6 p -149.28 169.01 21.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.152 . . . . 0.0 109.973 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 154.71 76.29 0.02 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.504 1.127 . . . . 0.0 110.977 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -42.07 0.58 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.481 1.78 . . . . 0.0 111.018 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.9 m -58.81 148.15 30.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.113 . . . . 0.0 109.965 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 13.7 t 58.75 102.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.128 . . . . 0.0 109.974 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 O-C-N 124.483 1.114 . . . . 0.0 111.022 179.987 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.039 -0.825 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.2 p -110.88 120.79 43.55 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.514 0.773 . . . . 0.0 109.958 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.7 p 46.42 85.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.999 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.8 -179.75 16.23 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.477 1.111 . . . . 0.0 111.011 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.64 113.27 2.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 0.752 . . . . 0.0 109.985 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.2 p -53.84 141.52 26.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 110.036 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.65 -163.08 2.08 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.507 1.13 . . . . 0.0 111.03 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.25 -160.03 37.86 Favored Glycine 0 CA--C 1.531 1.034 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.414 ' HA ' ' HD3' ' A' ' 10' ' ' PRO . 18.3 Cg_endo -75.02 153.69 41.84 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.534 1.807 . . . . 0.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.867 ' O ' HG22 ' A' ' 11' ' ' THR . 18.5 Cg_endo -74.95 66.01 5.99 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.485 1.782 . . . . 0.0 111.019 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.867 HG22 ' O ' ' A' ' 10' ' ' PRO . 10.5 t 54.34 164.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.15 . . . . 0.0 110.414 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.9 mmt180 -157.03 108.99 2.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.296 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.23 178.34 5.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.419 ' N ' ' OE1' ' A' ' 56' ' ' GLU . 2.5 m -103.62 -89.36 0.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.049 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -170.14 -58.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.262 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.559 ' CZ ' ' HB2' ' A' ' 60' ' ' LYS . 47.1 m-85 -41.41 109.46 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 111.025 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.5 ptp85 -136.69 163.33 30.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.314 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.703 ' CG2' HG23 ' A' ' 55' ' ' VAL . 27.5 m -120.72 125.76 74.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.335 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.548 HD11 ' HG2' ' A' ' 90' ' ' GLU . 8.3 mt -81.98 118.88 23.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.553 1.158 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.422 ' O ' ' N ' ' A' ' 53' ' ' GLY . 19.8 t -107.12 134.83 47.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.346 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 89.2 p -141.42 145.27 35.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.028 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.526 ' C ' HG22 ' A' ' 85' ' ' ILE . . . 97.31 29.84 7.69 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.521 1.138 . . . . 0.0 111.022 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.3 mt -77.65 157.65 79.45 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.515 0.773 . . . . 0.0 109.306 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 173.18 14.96 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.526 1.803 . . . . 0.0 110.968 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -19.39 17.86 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.471 1.774 . . . . 0.0 110.977 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 12.8 t -107.32 -12.29 15.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.995 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -47.63 123.61 8.93 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.492 1.12 . . . . 0.0 111.033 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.9 m -111.21 161.39 16.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 0.734 . . . . 0.0 109.983 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.597 ' CE3' ' N ' ' A' ' 30' ' ' GLN . 42.4 p-90 -66.69 -43.86 83.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 108.02 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.597 ' N ' ' CE3' ' A' ' 29' ' ' TRP . 0.0 OUTLIER -44.34 -74.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 110.271 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -49.83 -45.86 50.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.595 HD23 ' C ' ' A' ' 32' ' ' LEU . 5.9 tt -49.43 -56.32 10.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.487 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 13.0 ttpt -51.44 -61.05 2.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.581 1.176 . . . . 0.0 109.35 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -41.12 -29.02 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.271 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.422 ' N ' ' C ' ' A' ' 33' ' ' LYS . 5.9 t60 -85.83 -58.45 2.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.577 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.636 ' HG3' HG21 ' A' ' 55' ' ' VAL . 27.8 mmm -52.75 -39.7 62.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 111.004 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.487 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 0.3 OUTLIER -41.1 -26.78 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.33 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.478 ' C ' ' O ' ' A' ' 37' ' ' ARG . 3.7 mm-40 -31.69 -40.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.324 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 1.066 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . . . -60.91 -75.97 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -153.44 -108.18 0.33 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.457 1.098 . . . . 0.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -114.68 130.44 56.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 0.794 . . . . 0.0 109.32 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.464 HG11 HG12 ' A' ' 55' ' ' VAL . 4.0 t -97.95 121.75 48.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 109.356 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.644 ' HB3' HD21 ' A' ' 58' ' ' LEU . 17.7 p -88.08 -32.39 18.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 108.323 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -138.45 144.39 40.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 111.028 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -150.79 112.95 4.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -132.7 163.75 28.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.473 ' CG2' HD13 ' A' ' 32' ' ' LEU . 25.7 t -141.98 145.55 23.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -114.9 170.2 8.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.333 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.63 -178.77 0.58 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.3 t0 72.82 -58.81 0.59 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.354 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' A' ' 22' ' ' GLY . . . 148.06 43.51 0.03 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.468 1.105 . . . . 0.0 111.034 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.439 ' O ' HG13 ' A' ' 47' ' ' VAL . 6.3 mtt -108.89 159.0 17.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 0.778 . . . . 0.0 111.0 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -148.63 161.07 28.58 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.487 1.117 . . . . 0.0 110.986 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -152.38 120.03 6.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 0.73 . . . . 0.0 110.978 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.703 HG23 ' CG2' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -129.43 140.71 48.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.117 . . . . 0.0 109.29 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.419 ' OE1' ' N ' ' A' ' 14' ' ' SER . 0.1 OUTLIER -111.45 140.4 46.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 110.282 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.841 ' CE1' ' HB3' ' A' ' 39' ' ' ALA . 37.4 m-85 -113.18 149.91 32.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 110.994 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.644 HD21 ' HB3' ' A' ' 43' ' ' CYS . 1.8 mm? -86.6 3.82 42.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.348 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.0 mtp180 -139.16 127.94 23.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.325 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.559 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 76.8 tttt -58.04 -52.38 65.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -53.46 -46.92 70.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.148 . . . . 0.0 110.27 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -53.67 -34.79 59.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.512 ' SD ' HD11 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -61.06 -55.62 30.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 110.978 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.605 ' HA ' HD12 ' A' ' 67' ' ' LEU . 20.0 mt-10 -63.12 -39.11 93.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.354 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.603 ' CD1' ' HA ' ' A' ' 39' ' ' ALA . 24.7 t80 -50.81 -65.15 0.61 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.138 . . . . 0.0 110.971 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 1.066 ' HB2' ' HB2' ' A' ' 39' ' ' ALA . . . -57.03 -38.27 72.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.344 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.753 HD23 HG12 ' A' ' 87' ' ' VAL . 24.3 mt -51.49 -58.59 5.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.446 ' O ' ' C ' ' A' ' 69' ' ' LYS . 14.8 mmt85 -71.08 -66.23 0.64 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.288 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.455 ' HD3' ' CD2' ' A' ' 65' ' ' TYR . 0.1 OUTLIER -36.58 -63.27 0.41 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.333 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.84 ' O ' HG23 ' A' ' 73' ' ' THR . 25.1 mt -62.77 -63.52 1.19 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.27 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.634 ' C ' ' O ' ' A' ' 70' ' ' LEU . 39.1 t0 18.21 92.0 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.421 ' HB3' ' O ' ' A' ' 71' ' ' ASP . 20.8 t70 62.58 100.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.84 HG23 ' O ' ' A' ' 70' ' ' LEU . 5.0 p -133.37 174.14 10.72 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.535 1.147 . . . . 0.0 110.367 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.6 ttmt -102.32 99.18 9.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.418 ' CE1' ' HA ' ' A' ' 32' ' ' LEU . 40.4 t80 -91.29 129.43 37.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.135 . . . . 0.0 111.0 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.422 ' HA ' ' O ' ' A' ' 81' ' ' GLU . 4.2 ttp180 -112.09 121.54 45.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.301 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 52.2 p -78.01 179.32 6.86 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 110.04 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -74.86 -3.26 30.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.449 1.093 . . . . 0.0 109.563 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -99.45 16.65 22.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.316 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 64.74 9.31 38.35 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.454 1.096 . . . . 0.0 111.012 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.427 ' HG3' ' N ' ' A' ' 82' ' ' THR . 2.7 tt0 -86.17 137.12 32.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 0.776 . . . . 0.0 110.281 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.427 ' N ' ' HG3' ' A' ' 81' ' ' GLU . 11.7 p -118.61 147.63 43.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.356 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.3 p -158.89 148.6 19.13 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 109.976 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -83.22 118.53 23.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.442 1.089 . . . . 0.0 110.967 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.526 HG22 ' C ' ' A' ' 22' ' ' GLY . 7.5 pt -116.58 131.08 70.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.256 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.19 152.82 20.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.26 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.753 HG12 HD23 ' A' ' 67' ' ' LEU . 2.1 t -121.72 114.77 44.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.533 ' CE1' ' O ' ' A' ' 19' ' ' LEU . 9.1 p90 -142.24 157.62 62.89 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 111.048 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 179.66 5.87 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.514 1.797 . . . . 0.0 110.983 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.548 ' HG2' HD11 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -92.51 170.28 9.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.295 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 6.7 mtt85 -110.78 124.74 52.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 110.311 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -161.05 165.84 29.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 110.004 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 12.1 p -138.82 -62.41 0.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.437 1.086 . . . . 0.0 110.023 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 119.94 98.29 1.72 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.518 1.137 . . . . 0.0 111.006 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 137.36 21.63 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.462 1.77 . . . . 0.0 110.974 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 80.4 p -118.39 152.02 36.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.975 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 9.3 t -145.73 134.9 22.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.033 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.494 1.121 . . . . 0.0 111.026 -179.954 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.1 p -64.2 168.7 5.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 0.774 . . . . 0.0 109.993 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.3 m -156.42 95.42 1.57 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.015 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.07 -135.98 7.57 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.481 1.113 . . . . 0.0 111.011 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.58 -51.03 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 0.775 . . . . 0.0 110.0 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -159.12 102.93 1.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.028 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.23 91.33 0.29 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.507 1.129 . . . . 0.0 110.995 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 71.11 145.13 0.34 Allowed Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.406 ' HA ' ' HD3' ' A' ' 10' ' ' PRO . 18.2 Cg_endo -75.0 156.94 43.02 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.529 1.805 . . . . 0.0 110.987 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 9' ' ' PRO . 18.2 Cg_endo -75.0 78.57 2.87 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.468 1.772 . . . . 0.0 110.969 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 30.0 p -109.28 115.93 30.91 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.512 1.133 . . . . 0.0 110.408 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -121.92 60.28 0.98 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 110.314 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.5 mtp180 -105.43 -12.26 16.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.503 ' HB3' ' CD2' ' A' ' 16' ' ' PHE . 4.0 m 179.93 178.93 0.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 110.015 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -144.77 58.71 1.31 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.566 ' CE1' ' HB2' ' A' ' 60' ' ' LYS . 7.8 m-85 -127.95 71.77 1.38 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 111.013 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.583 ' CG ' ' HG2' ' A' ' 56' ' ' GLU . 21.6 mtt85 -98.96 166.62 11.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.313 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.966 HG23 HG23 ' A' ' 55' ' ' VAL . 9.4 m -136.69 117.57 18.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.471 ' HB2' ' CD2' ' A' ' 88' ' ' TYR . 10.7 mt -82.34 132.79 35.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.26 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.47 HG11 HD12 ' A' ' 85' ' ' ILE . 43.6 t -126.3 133.8 67.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.9 m -136.09 154.69 50.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 110.03 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.494 ' C ' HG22 ' A' ' 85' ' ' ILE . . . 92.69 34.89 6.69 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.525 1.141 . . . . 0.0 110.976 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.511 ' HG ' HG21 ' A' ' 85' ' ' ILE . 1.2 mt -87.14 157.77 53.43 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.521 0.777 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 170.45 20.4 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.493 1.786 . . . . 0.0 111.005 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -19.01 18.28 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.477 1.777 . . . . 0.0 110.998 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.2 m -104.59 -3.3 24.0 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 109.999 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -55.54 148.01 27.15 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.462 1.101 . . . . 0.0 111.026 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.6 m -128.01 178.55 6.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 0.772 . . . . 0.0 109.982 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.518 ' CZ3' ' HG3' ' A' ' 30' ' ' GLN . 63.4 p-90 -87.62 -45.89 10.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.13 . . . . 0.0 107.997 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.518 ' HG3' ' CZ3' ' A' ' 29' ' ' TRP . 27.8 mt-30 -47.53 -65.63 0.53 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 110.3 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -55.13 -39.86 69.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.81 HD23 ' C ' ' A' ' 32' ' ' LEU . 0.8 OUTLIER -57.68 -48.53 79.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.523 ' N ' HD23 ' A' ' 32' ' ' LEU . 10.2 ttpt -57.43 -57.02 14.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -44.89 -25.42 0.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.426 ' N ' ' C ' ' A' ' 33' ' ' LYS . 5.7 t60 -88.05 -51.03 6.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.611 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.772 ' HG3' HG21 ' A' ' 55' ' ' VAL . 26.7 mmm -60.54 -41.08 93.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 111.022 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.492 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 6.3 mtm180 -41.12 -26.99 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.287 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.482 ' C ' ' O ' ' A' ' 37' ' ' ARG . 0.4 OUTLIER -31.39 -40.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 110.311 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 1.002 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . . . -64.43 -81.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -143.35 -120.34 1.49 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.454 1.096 . . . . 0.0 111.023 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -103.75 139.96 38.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 0.768 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.533 HG11 HG12 ' A' ' 55' ' ' VAL . 3.5 t -111.2 127.07 68.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 0.0 109.303 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 41.1 t -99.51 -27.54 13.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.436 1.085 . . . . 0.0 108.293 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.553 ' CG ' ' OE2' ' A' ' 56' ' ' GLU . 50.6 t80 -130.75 142.96 50.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -152.63 115.21 4.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.327 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -133.82 162.58 31.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 109.328 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.1 p -141.16 138.46 33.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.259 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -109.05 160.04 16.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 110.321 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.26 -178.97 0.4 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.8 t0 73.86 -58.71 0.58 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.437 ' O ' ' N ' ' A' ' 22' ' ' GLY . . . 152.44 43.92 0.02 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.499 1.124 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -110.31 159.33 17.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 0.78 . . . . 0.0 111.007 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -151.89 158.99 28.08 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.475 1.109 . . . . 0.0 111.024 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.489 ' HE3' ' HD3' ' A' ' 17' ' ' ARG . 2.1 ttp -149.95 148.41 29.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 0.749 . . . . 0.0 111.02 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.966 HG23 HG23 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -153.87 156.56 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.256 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.583 ' HG2' ' CG ' ' A' ' 17' ' ' ARG . 47.2 mt-10 -122.82 142.35 50.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.324 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.588 ' CE1' ' HB3' ' A' ' 39' ' ' ALA . 15.8 m-85 -118.04 145.03 45.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 111.011 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -88.3 10.34 20.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 7.0 mmt180 -147.73 131.89 17.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.342 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.566 ' HB2' ' CE1' ' A' ' 16' ' ' PHE . 31.8 tttt -60.89 -58.32 8.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -48.6 -56.04 9.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.324 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.782 ' O ' ' HB1' ' A' ' 39' ' ' ALA . 75.2 m-20 -47.07 -29.48 2.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.555 ' HA ' ' CD2' ' A' ' 57' ' ' TYR . 0.0 OUTLIER -67.52 -68.55 0.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.983 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.487 ' HA ' HD12 ' A' ' 67' ' ' LEU . 25.0 mt-10 -46.68 -40.46 13.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.281 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.588 ' CD1' ' HA ' ' A' ' 39' ' ' ALA . 26.3 t80 -49.91 -64.57 0.77 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 111.032 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 1.002 ' HB2' ' HB2' ' A' ' 39' ' ' ALA . . . -57.48 -40.04 77.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.866 HD23 HG12 ' A' ' 87' ' ' VAL . 28.1 mt -50.12 -57.79 6.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.289 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.474 ' O ' ' C ' ' A' ' 69' ' ' LYS . 6.9 mmp_? -72.49 -67.9 0.52 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 110.304 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.474 ' C ' ' O ' ' A' ' 68' ' ' ARG . 10.1 mptt -34.48 -61.78 0.37 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.721 ' O ' HG23 ' A' ' 73' ' ' THR . 21.8 mt -63.79 -59.59 4.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.691 ' C ' ' O ' ' A' ' 70' ' ' LEU . 46.4 t0 9.45 77.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.5 ' CB ' ' O ' ' A' ' 71' ' ' ASP . 5.9 t0 81.76 102.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.721 HG23 ' O ' ' A' ' 70' ' ' LEU . 21.1 p -135.97 172.56 12.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.43 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 16.7 tttt -100.68 100.04 10.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.505 ' CD2' HD23 ' A' ' 23' ' ' LEU . 42.1 t80 -88.81 139.96 29.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.988 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -110.92 111.79 23.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 110.297 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.7 p -63.83 162.03 14.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.133 . . . . 0.0 110.003 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.475 ' CE1' ' HG2' ' A' ' 79' ' ' GLU . 0.1 OUTLIER -65.93 -13.17 59.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.579 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.475 ' HG2' ' CE1' ' A' ' 78' ' ' HIS . 4.8 mm-40 -93.21 -6.16 48.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 110.313 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 102.12 -30.51 10.23 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.488 1.118 . . . . 0.0 110.995 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -51.35 133.97 28.62 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.47 0.747 . . . . 0.0 110.276 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.1 p -110.6 149.95 29.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 110.391 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 49.7 m -158.89 154.48 26.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 110.024 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -89.36 119.86 30.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.511 HG21 ' HG ' ' A' ' 23' ' ' LEU . 7.2 pt -114.48 131.69 65.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.262 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.406 ' O ' ' HA ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER -91.22 151.99 20.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 110.253 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.866 HG12 HD23 ' A' ' 67' ' ' LEU . 3.3 t -118.95 121.09 65.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.356 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.471 ' CD2' ' HB2' ' A' ' 19' ' ' LEU . 10.8 p90 -146.31 158.23 47.87 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 111.035 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 177.88 8.0 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.457 1.767 . . . . 0.0 111.003 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -95.55 117.36 30.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 110.28 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -85.91 133.45 33.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.332 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 11.8 m -103.19 158.7 16.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.043 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.8 t -150.26 146.14 26.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.017 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 72.56 79.97 0.43 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.507 1.129 . . . . 0.0 111.021 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 78.28 2.94 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.51 1.795 . . . . 0.0 110.97 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 43.3 p -118.48 160.78 21.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.053 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.3 m -134.56 79.8 1.82 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.037 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.53 1.144 . . . . 0.0 111.006 -179.95 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.066 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.5 m 59.08 96.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 0.79 . . . . 0.0 110.023 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.3 t -87.01 99.69 12.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 110.035 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.85 157.88 22.38 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.464 1.102 . . . . 0.0 110.995 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 t -173.79 109.3 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 0.768 . . . . 0.0 109.99 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.6 t -54.68 133.75 46.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.446 1.091 . . . . 0.0 109.988 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 109.58 -92.95 0.73 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.485 1.116 . . . . 0.0 111.022 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -163.18 -95.7 0.11 Allowed Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.42 ' HA ' ' HD3' ' A' ' 10' ' ' PRO . 18.3 Cg_endo -74.99 152.98 41.48 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.461 1.769 . . . . 0.0 110.986 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 9' ' ' PRO . 18.3 Cg_endo -75.02 159.06 41.73 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.518 1.799 . . . . 0.0 110.989 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 13.4 t -45.47 146.12 1.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 110.399 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.1 mmt85 -145.42 86.58 1.76 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.318 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.6 mtp85 -82.12 -26.61 33.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 110.254 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.454 ' HB3' ' CD2' ' A' ' 16' ' ' PHE . 25.5 m -137.92 -170.71 2.84 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 0.0 110.02 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.554 ' O ' ' CD1' ' A' ' 16' ' ' PHE . 13.9 m-20 -140.55 68.27 1.35 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.554 ' CD1' ' O ' ' A' ' 15' ' ' ASP . 11.1 m-85 -155.0 105.24 2.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 110.967 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 30.2 ptt-85 -137.08 164.0 29.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 0.0 110.306 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.712 ' CG2' HG23 ' A' ' 55' ' ' VAL . 27.2 m -122.74 135.5 62.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.602 ' O ' ' CE1' ' A' ' 88' ' ' TYR . 0.9 OUTLIER -94.41 114.35 26.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.316 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.436 HG13 ' HB ' ' A' ' 85' ' ' ILE . 93.2 t -94.81 133.99 33.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 9.6 p -138.78 141.9 38.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 110.019 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 51' ' ' GLY . . . 96.83 34.84 5.57 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.47 1.106 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.444 HD23 ' CD2' ' A' ' 75' ' ' PHE . 5.5 mt -82.07 156.74 69.33 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.479 0.752 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 171.61 17.96 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.436 1.756 . . . . 0.0 110.996 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -17.83 19.16 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.462 1.77 . . . . 0.0 111.012 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.6 t -106.86 -20.74 13.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.157 . . . . 0.0 110.011 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -38.08 142.42 0.32 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.459 1.099 . . . . 0.0 110.974 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -126.69 171.15 11.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 0.736 . . . . 0.0 109.992 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.631 ' CE3' ' N ' ' A' ' 30' ' ' GLN . 48.8 p-90 -76.91 -48.52 18.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 108.008 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.631 ' N ' ' CE3' ' A' ' 29' ' ' TRP . 5.2 tm0? -45.03 -61.29 1.69 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.306 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -57.14 -44.84 83.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.268 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.688 HD23 ' C ' ' A' ' 32' ' ' LEU . 2.1 tt -54.6 -52.61 61.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.264 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.494 ' N ' HD23 ' A' ' 32' ' ' LEU . 9.9 tttt -52.29 -63.63 1.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 109.261 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -41.06 -28.92 0.1 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.464 1.103 . . . . 0.0 109.32 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.429 ' N ' ' C ' ' A' ' 33' ' ' LYS . 6.4 t60 -85.88 -54.33 4.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.626 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.712 ' HG3' HG21 ' A' ' 55' ' ' VAL . 27.6 mmm -56.56 -40.83 75.82 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.561 1.163 . . . . 0.0 110.96 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.461 ' O ' ' C ' ' A' ' 38' ' ' GLU . 5.8 mmm-85 -40.15 -27.85 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.287 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 37' ' ' ARG . 3.7 mm-40 -33.1 -39.53 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.289 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 1.064 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . . . -61.96 -74.19 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -158.99 -114.98 0.4 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -101.93 131.06 48.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 0.793 . . . . 0.0 109.328 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.408 ' HB ' ' CE ' ' A' ' 33' ' ' LYS . 3.3 t -108.09 123.12 63.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.155 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 18.7 t -102.49 -29.14 11.78 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.501 1.126 . . . . 0.0 108.329 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.543 ' O ' HG12 ' A' ' 55' ' ' VAL . 14.3 t80 -119.02 134.57 55.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 110.96 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -152.46 112.44 4.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.325 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -142.47 150.17 40.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.56 ' CG2' HD13 ' A' ' 32' ' ' LEU . 75.3 t -141.05 140.82 32.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -118.57 170.1 9.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.151 . . . . 0.0 110.32 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.3 -171.55 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 72.76 -59.37 0.57 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 22' ' ' GLY . . . 140.99 44.26 0.06 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.532 1.145 . . . . 0.0 110.97 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -122.35 140.36 52.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 0.79 . . . . 0.0 111.003 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -132.52 165.63 23.68 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.509 1.13 . . . . 0.0 111.028 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.497 ' HE2' ' CD1' ' A' ' 44' ' ' TYR . 2.0 ttp -151.24 130.68 12.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 0.774 . . . . 0.0 110.956 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.712 HG23 ' CG2' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -138.14 146.49 26.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.339 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.422 ' HB2' ' CB ' ' A' ' 44' ' ' TYR . 5.5 mt-10 -119.24 146.61 45.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 110.305 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.697 ' CE1' ' HB3' ' A' ' 39' ' ' ALA . 55.5 m-85 -122.0 156.3 33.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.972 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.644 HD22 ' N ' ' A' ' 58' ' ' LEU . 1.1 mm? -94.08 16.7 13.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.275 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 13.9 mmt180 -147.34 137.38 23.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 110.279 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -65.06 -57.92 7.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -48.29 -47.07 36.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 110.274 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.641 ' OD1' ' HB1' ' A' ' 39' ' ' ALA . 1.3 t0 -49.63 -44.23 47.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.32 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.684 ' SD ' HD11 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -57.94 -58.77 6.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.157 . . . . 0.0 111.016 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.52 ' HA ' HD12 ' A' ' 67' ' ' LEU . 9.9 mt-10 -58.89 -42.4 89.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 110.263 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.612 ' CD1' ' HA ' ' A' ' 39' ' ' ALA . 30.4 t80 -50.45 -67.04 0.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.163 . . . . 0.0 111.014 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 1.064 ' HB2' ' HB2' ' A' ' 39' ' ' ALA . . . -55.6 -40.36 71.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.577 1.173 . . . . 0.0 109.349 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.767 HD23 HG12 ' A' ' 87' ' ' VAL . 23.4 mt -49.52 -59.38 3.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.469 ' O ' ' C ' ' A' ' 69' ' ' LYS . 3.7 mmp_? -71.35 -67.64 0.5 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.282 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.469 ' C ' ' O ' ' A' ' 68' ' ' ARG . 0.3 OUTLIER -34.81 -63.62 0.3 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.806 ' O ' HG23 ' A' ' 73' ' ' THR . 27.0 mt -63.01 -62.49 1.68 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.65 ' C ' ' O ' ' A' ' 70' ' ' LEU . 64.5 t0 16.21 88.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 12.5 t0 67.26 100.98 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 109.278 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.806 HG23 ' O ' ' A' ' 70' ' ' LEU . 11.7 p -135.22 168.06 19.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 110.368 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.6 ttpt -96.94 98.75 10.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.282 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.444 ' CD2' HD23 ' A' ' 23' ' ' LEU . 32.3 t80 -89.08 132.35 34.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -102.46 115.54 30.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 110.278 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 24.2 p -67.35 168.32 10.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 110.013 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -68.07 -12.09 60.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.574 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -97.32 5.75 49.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.15 . . . . 0.0 110.312 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 90.08 -37.13 3.4 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.543 1.152 . . . . 0.0 110.996 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -48.85 122.59 5.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 0.736 . . . . 0.0 110.292 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 20.0 p -99.14 155.88 17.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 110.442 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 7.8 m -155.55 159.63 39.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 110.012 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -92.17 113.31 25.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.993 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.436 ' HB ' HG13 ' A' ' 20' ' ' VAL . 12.4 pt -108.02 132.83 54.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 -97.95 154.14 17.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.279 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.767 HG12 HD23 ' A' ' 67' ' ' LEU . 2.0 t -125.02 123.33 65.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.602 ' CE1' ' O ' ' A' ' 19' ' ' LEU . 35.6 p90 -153.22 156.51 32.61 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 0.0 111.017 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.452 ' C ' HD23 ' A' ' 19' ' ' LEU . 18.2 Cg_endo -75.02 174.53 12.63 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.499 1.789 . . . . 0.0 110.955 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.407 ' CB ' HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -95.23 154.63 17.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.3 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 26.2 ptt180 -118.35 135.27 54.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.302 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -172.59 179.23 2.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.036 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.57 167.23 19.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.996 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 163.61 110.23 0.24 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.471 1.107 . . . . 0.0 111.02 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -48.39 0.17 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.499 1.789 . . . . 0.0 110.991 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.9 m 57.35 103.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.959 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.6 t -132.71 154.91 49.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.987 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.431 1.082 . . . . 0.0 111.021 179.99 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -157.14 109.74 2.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 0.769 . . . . 0.0 109.981 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.9 t -103.25 -58.55 1.86 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.983 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.48 84.43 0.11 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.549 1.155 . . . . 0.0 110.989 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.26 -58.33 3.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 0.76 . . . . 0.0 110.015 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.27 145.67 8.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.033 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.86 161.5 12.74 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.475 1.109 . . . . 0.0 111.012 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 145.5 -80.54 0.22 Allowed Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 168.28 25.16 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.474 1.776 . . . . 0.0 110.984 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 133.02 16.13 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.537 1.809 . . . . 0.0 111.029 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.5 t -49.87 134.86 20.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.432 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.17 88.22 2.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.33 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.85 -175.69 4.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.314 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -56.51 152.67 11.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.971 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -107.75 40.95 1.61 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.506 ' CE2' ' HB2' ' A' ' 60' ' ' LYS . 22.1 m-85 -124.47 111.45 15.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 111.024 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.422 ' NH2' ' OE1' ' A' ' 90' ' ' GLU . 10.7 ptt180 -136.51 166.84 22.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.25 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.652 ' CG2' HG23 ' A' ' 55' ' ' VAL . 27.3 m -120.42 129.27 75.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.54 ' O ' ' CD1' ' A' ' 88' ' ' TYR . 15.9 mt -87.9 122.93 32.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.6 HG12 HD21 ' A' ' 23' ' ' LEU . 72.5 t -114.0 134.83 55.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.363 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 56.0 p -143.65 126.04 15.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.003 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.486 ' C ' HG22 ' A' ' 85' ' ' ILE . . . 135.51 -6.17 4.2 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.496 1.123 . . . . 0.0 111.041 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.931 HD13 HG21 ' A' ' 85' ' ' ILE . 3.3 mm? -40.19 151.65 0.24 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.455 0.738 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.402 ' HD2' ' HA3' ' A' ' 27' ' ' GLY . 18.2 Cg_endo -75.0 174.1 13.37 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.52 1.8 . . . . 0.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -15.71 20.52 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.561 1.821 . . . . 0.0 110.993 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.4 m -120.63 8.42 10.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.021 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.402 ' HA3' ' HD2' ' A' ' 24' ' ' PRO . . . -61.44 163.9 21.38 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.499 1.124 . . . . 0.0 111.044 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 64.9 m -142.95 163.5 32.63 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.473 0.749 . . . . 0.0 110.067 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.537 ' HB3' HG12 ' A' ' 47' ' ' VAL . 59.8 p-90 -75.24 -47.76 26.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 107.983 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.487 ' HG3' ' CH2' ' A' ' 29' ' ' TRP . 50.6 mt-30 -38.9 -70.26 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.276 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.445 ' HB3' ' CE1' ' A' ' 75' ' ' PHE . 0.1 OUTLIER -52.51 -48.42 66.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.562 1.163 . . . . 0.0 109.278 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.646 HD23 ' C ' ' A' ' 32' ' ' LEU . 4.6 tt -48.15 -53.13 17.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.466 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 1.9 tttt -53.59 -65.89 0.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 33' ' ' LYS . 54.3 m-20 -38.98 -30.51 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.337 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.447 ' N ' ' O ' ' A' ' 33' ' ' LYS . 9.5 t-80 -83.9 -61.52 1.8 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 109.573 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.658 ' HG3' HG21 ' A' ' 55' ' ' VAL . 24.6 mmm -49.6 -39.61 36.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 0.0 110.997 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.48 ' O ' ' C ' ' A' ' 38' ' ' GLU . 4.6 mmm180 -41.91 -25.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.48 ' C ' ' O ' ' A' ' 37' ' ' ARG . 0.4 OUTLIER -31.85 -40.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.317 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 1.036 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . . . -60.97 -81.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -146.77 -111.57 0.68 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.498 1.124 . . . . 0.0 111.014 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -108.68 128.75 55.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 0.773 . . . . 0.0 109.277 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.432 ' CG2' ' HA ' ' A' ' 37' ' ' ARG . 11.7 t -102.63 116.61 46.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.337 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 15.1 t -95.53 -23.73 16.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 108.325 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.596 ' CD2' ' OE2' ' A' ' 56' ' ' GLU . 18.2 t80 -129.14 131.89 47.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.98 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -152.52 116.47 4.86 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -145.45 163.61 34.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.69 HG23 ' O ' ' A' ' 52' ' ' MET . 2.3 p -142.07 142.78 27.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.575 1.172 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -113.66 157.93 21.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.292 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.8 -178.84 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 0.0 109.325 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.2 t70 71.16 -58.55 0.57 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.272 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 145.99 54.43 0.02 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.69 ' O ' HG23 ' A' ' 47' ' ' VAL . 0.3 OUTLIER -118.18 158.94 24.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 0.751 . . . . 0.0 111.003 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -151.87 159.58 28.38 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.482 1.114 . . . . 0.0 110.987 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.498 ' HE2' ' CD1' ' A' ' 44' ' ' TYR . 2.3 ttp -153.53 117.47 4.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 0.766 . . . . 0.0 111.006 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.658 HG21 ' HG3' ' A' ' 36' ' ' MET . 0.0 OUTLIER -126.45 139.38 51.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.596 ' OE2' ' CD2' ' A' ' 44' ' ' TYR . 48.6 mt-10 -105.59 153.06 22.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.298 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.681 ' CE1' ' HB3' ' A' ' 39' ' ' ALA . 24.4 m-85 -127.42 140.64 52.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.987 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.575 HD22 ' N ' ' A' ' 58' ' ' LEU . 1.2 mm? -85.88 9.78 15.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.6 mmt180 -143.73 136.36 27.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.244 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.506 ' HB2' ' CE2' ' A' ' 16' ' ' PHE . 72.8 tttt -62.56 -57.08 12.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -46.72 -51.22 16.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 110.26 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.423 ' O ' ' HB3' ' A' ' 65' ' ' TYR . 74.7 m-20 -46.34 -50.06 16.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.549 ' HA ' ' CD2' ' A' ' 57' ' ' TYR . 18.6 ttp -51.97 -61.54 2.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 111.03 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.444 ' HA ' HD12 ' A' ' 67' ' ' LEU . 16.5 mt-10 -59.2 -44.32 92.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.325 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.578 ' CD1' ' HA ' ' A' ' 39' ' ' ALA . 22.2 t80 -50.06 -64.16 0.89 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.983 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 1.036 ' HB2' ' HB2' ' A' ' 39' ' ' ALA . . . -58.35 -38.74 77.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.564 1.165 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.738 HD23 HG12 ' A' ' 87' ' ' VAL . 19.3 mt -51.02 -57.34 8.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.261 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.465 ' O ' ' C ' ' A' ' 69' ' ' LYS . 3.3 mmp_? -73.08 -67.08 0.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.313 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.465 ' C ' ' O ' ' A' ' 68' ' ' ARG . 0.1 OUTLIER -34.86 -60.22 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.857 ' O ' HG23 ' A' ' 73' ' ' THR . 21.5 mt -66.87 -62.81 1.25 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.639 ' C ' ' O ' ' A' ' 70' ' ' LEU . 35.3 t70 17.67 88.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 37.0 t0 64.97 105.92 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.149 . . . . 0.0 109.275 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.857 HG23 ' O ' ' A' ' 70' ' ' LEU . 5.6 p -140.59 176.07 9.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 110.367 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.0 ttpt -100.41 98.44 9.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 109.307 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.523 ' CE1' ' HA ' ' A' ' 32' ' ' LEU . 21.2 t80 -85.38 133.77 34.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.994 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.2 ttt-85 -108.07 113.72 27.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 0.0 110.298 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 33.2 p -69.37 177.23 2.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 110.0 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.533 ' CE1' ' HG2' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -75.91 -15.15 60.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.594 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.533 ' HG2' ' CE1' ' A' ' 78' ' ' HIS . 4.1 mm-40 -90.38 -1.17 57.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.326 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 94.79 -31.36 6.95 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.508 1.13 . . . . 0.0 111.041 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -50.09 137.45 17.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 0.781 . . . . 0.0 110.274 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 20.2 p -120.05 141.3 49.87 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.475 1.109 . . . . 0.0 110.406 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.0 m -142.58 174.96 10.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.012 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -106.19 118.96 37.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 111.004 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.931 HG21 HD13 ' A' ' 23' ' ' LEU . 8.9 pt -120.42 134.05 65.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.18 158.91 15.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.317 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.738 HG12 HD23 ' A' ' 67' ' ' LEU . 1.6 t -123.72 112.46 33.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.438 1.086 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.54 ' CD1' ' O ' ' A' ' 19' ' ' LEU . 11.8 p90 -138.01 158.68 70.79 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 110.985 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -179.3 4.86 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.483 1.781 . . . . 0.0 111.03 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.422 ' OE1' ' NH2' ' A' ' 17' ' ' ARG . 6.7 tt0 -87.12 144.5 26.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.52 109.18 19.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.277 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -114.48 143.87 44.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 110.001 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 37.8 p -178.17 127.03 0.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.968 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 171.13 146.54 5.27 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.503 1.127 . . . . 0.0 110.984 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 121.31 6.51 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.471 1.774 . . . . 0.0 110.999 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.2 m -67.58 -57.64 6.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.021 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 7.4 m 56.08 81.48 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.017 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.549 1.156 . . . . 0.0 110.984 -179.981 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.502 0.191 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.55 178.13 6.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 110.314 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 1.055 HG23 HG23 ' A' ' 55' ' ' VAL . 14.7 m -139.12 123.06 19.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.239 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 20.3 mt -83.59 126.5 32.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.628 HG13 ' HB ' ' A' ' 85' ' ' ILE . 40.4 t -114.05 128.17 71.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 109.261 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.405 ' O ' ' HA ' ' A' ' 85' ' ' ILE . 0.4 OUTLIER -135.76 148.37 48.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.049 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 51' ' ' GLY . . . 95.42 30.99 7.77 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.506 1.129 . . . . 0.0 111.006 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.48 ' HG ' HG21 ' A' ' 85' ' ' ILE . 2.9 mt -77.3 157.59 80.47 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.51 0.77 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 169.55 22.35 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.485 1.782 . . . . 0.0 111.011 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -13.91 21.37 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.453 1.765 . . . . 0.0 110.977 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.4 m -111.82 -10.25 14.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.002 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -52.47 147.67 13.45 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.478 1.111 . . . . 0.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 78.8 p -127.62 -177.87 4.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 0.787 . . . . 0.0 109.991 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.524 ' CZ3' ' HG2' ' A' ' 30' ' ' GLN . 44.7 p-90 -92.2 -31.14 15.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 107.977 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.524 ' HG2' ' CZ3' ' A' ' 29' ' ' TRP . 91.4 mt-30 -56.76 -64.11 0.98 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.473 1.108 . . . . 0.0 110.313 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.09 -43.05 95.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.249 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.745 HD23 ' C ' ' A' ' 32' ' ' LEU . 2.2 tt -52.28 -51.25 59.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.502 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 4.8 tttt -56.23 -62.2 1.87 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.142 . . . . 0.0 109.322 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -41.27 -28.47 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.418 ' N ' ' O ' ' A' ' 33' ' ' LYS . 4.7 t60 -83.93 -61.31 1.85 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.574 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.74 ' HG3' HG21 ' A' ' 55' ' ' VAL . 27.6 mmm -50.6 -39.46 49.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 110.981 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.502 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 1.4 mmm180 -43.91 -24.81 0.16 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 110.306 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.49 ' C ' ' O ' ' A' ' 37' ' ' ARG . 5.2 mm-40 -31.65 -40.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.299 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 1.047 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . . . -64.82 -81.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -142.11 -119.0 1.44 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.442 1.089 . . . . 0.0 110.966 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.74 ' HB3' HD13 ' A' ' 58' ' ' LEU . 8.1 t0 -106.82 134.56 49.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 0.756 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.732 HG11 HG12 ' A' ' 55' ' ' VAL . 15.6 t -100.35 119.16 48.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 23.2 p -92.35 -24.86 18.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 108.29 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -131.16 136.64 48.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 110.99 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -152.2 111.85 3.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -139.3 153.23 47.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.341 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.425 HG12 ' HB3' ' A' ' 29' ' ' TRP . 14.7 p -141.85 143.83 26.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -124.76 170.3 11.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.322 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.99 -171.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 73.46 -59.68 0.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.427 ' O ' ' N ' ' A' ' 22' ' ' GLY . . . 141.0 45.19 0.06 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.5 1.125 . . . . 0.0 110.955 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.424 ' HE3' ' O ' ' A' ' 20' ' ' VAL . 0.9 OUTLIER -119.84 160.99 21.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 0.775 . . . . 0.0 110.981 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -154.47 173.33 32.96 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.469 1.106 . . . . 0.0 110.99 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.442 ' HE3' ' CG ' ' A' ' 56' ' ' GLU . 2.6 ttp -155.08 133.53 11.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.543 0.79 . . . . 0.0 110.937 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 1.055 HG23 HG23 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -139.18 141.15 36.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.266 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.442 ' CG ' ' HE3' ' A' ' 54' ' ' MET . 3.0 mt-10 -121.44 135.17 55.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 110.315 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.684 ' CE1' ' HB3' ' A' ' 39' ' ' ALA . 38.4 m-85 -104.46 168.67 8.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.568 1.168 . . . . 0.0 111.009 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.74 HD13 ' HB3' ' A' ' 41' ' ' ASP . 3.7 mp -96.82 -17.67 20.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 32.7 mmt180 -122.09 145.5 48.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.338 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 32.8 tttt -63.29 -55.11 27.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.36 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -43.24 -50.92 6.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.335 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -44.15 -51.77 7.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.25 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.476 ' HG2' HD11 ' A' ' 67' ' ' LEU . 9.8 ttp -51.64 -67.16 0.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.989 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.444 ' HA ' HD12 ' A' ' 67' ' ' LEU . 16.1 mt-10 -53.69 -46.39 70.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.113 . . . . 0.0 110.24 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.573 ' CD1' ' HA ' ' A' ' 39' ' ' ALA . 28.7 t80 -50.09 -66.03 0.46 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 111.019 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 1.047 ' HB2' ' HB2' ' A' ' 39' ' ' ALA . . . -57.79 -38.08 74.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.625 HD23 HG12 ' A' ' 87' ' ' VAL . 19.7 mt -50.87 -58.1 6.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.258 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.455 ' O ' ' C ' ' A' ' 69' ' ' LYS . 7.2 mmt180 -72.9 -66.33 0.68 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.284 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.455 ' C ' ' O ' ' A' ' 68' ' ' ARG . 13.9 mptt -35.56 -61.1 0.47 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.839 ' O ' HG23 ' A' ' 73' ' ' THR . 21.2 mt -66.22 -62.09 1.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.259 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.635 ' C ' ' O ' ' A' ' 70' ' ' LEU . 34.0 t70 17.96 88.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 44.3 t0 63.96 106.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.429 1.081 . . . . 0.0 109.281 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.839 HG23 ' O ' ' A' ' 70' ' ' LEU . 5.4 p -140.46 170.2 16.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 0.0 110.407 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 21.9 tttt -95.72 99.3 11.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.421 ' CE1' ' HA ' ' A' ' 32' ' ' LEU . 44.6 t80 -89.48 129.64 35.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.942 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.6 ttt180 -98.83 121.42 40.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 110.294 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 52.7 p -72.87 178.51 4.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 110.017 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -79.08 -6.6 56.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.587 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -104.28 12.65 33.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 0.0 110.317 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 87.8 -41.57 3.08 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.559 1.162 . . . . 0.0 111.032 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -43.46 165.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 0.75 . . . . 0.0 110.288 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.41 ' HA ' ' O ' ' A' ' 75' ' ' PHE . 67.8 p -141.5 165.9 26.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.399 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 37.6 m -162.38 153.85 18.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.998 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -89.27 106.84 18.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.991 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.628 ' HB ' HG13 ' A' ' 20' ' ' VAL . 4.2 pt -105.94 129.57 58.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -90.9 152.01 20.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.255 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.773 HG21 ' HB2' ' A' ' 70' ' ' LEU . 1.8 t -118.25 113.44 42.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.496 ' HA ' HD22 ' A' ' 67' ' ' LEU . 11.0 p90 -144.89 159.61 49.6 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.977 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 178.12 7.7 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.519 1.8 . . . . 0.0 110.99 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 -179.992 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.417 ' HA ' ' SD ' ' A' ' 63' ' ' MET . 11.2 m-85 . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.53 0.205 . . . . 0.0 110.992 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.446 ' NH1' ' OE1' ' A' ' 90' ' ' GLU . 0.1 OUTLIER -139.18 177.85 7.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.27 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.867 HG23 HG23 ' A' ' 55' ' ' VAL . 29.8 m -136.47 126.12 38.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.263 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.6 mt -84.76 123.88 30.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.299 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 92.4 t -107.11 137.23 39.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.421 ' O ' ' HA ' ' A' ' 85' ' ' ILE . 0.5 OUTLIER -146.53 152.65 39.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.988 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.489 ' C ' HG22 ' A' ' 85' ' ' ILE . . . 87.53 34.88 9.84 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.459 1.099 . . . . 0.0 111.013 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.403 ' HG ' HG21 ' A' ' 85' ' ' ILE . 2.2 mt -81.0 157.46 71.32 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.514 0.773 . . . . 0.0 109.314 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 170.83 19.55 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.502 1.791 . . . . 0.0 111.009 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -12.05 21.51 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.471 1.774 . . . . 0.0 110.975 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.8 p -113.71 -8.48 13.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.565 1.165 . . . . 0.0 109.982 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -50.24 145.85 9.03 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.471 1.107 . . . . 0.0 110.992 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.8 m -128.1 -177.49 4.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 0.763 . . . . 0.0 110.001 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.632 ' CH2' ' NE2' ' A' ' 30' ' ' GLN . 62.1 p-90 -90.96 -41.75 10.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 108.03 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.632 ' NE2' ' CH2' ' A' ' 29' ' ' TRP . 10.6 mm-40 -48.54 -71.62 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 110.312 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.73 -43.14 65.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.693 HD23 ' C ' ' A' ' 32' ' ' LEU . 3.5 tt -52.26 -54.0 36.83 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.482 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 7.2 ttpt -55.35 -59.98 4.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -42.1 -27.34 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.42 ' N ' ' C ' ' A' ' 33' ' ' LYS . 4.1 t60 -86.42 -56.55 3.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.644 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.716 ' HG3' HG21 ' A' ' 55' ' ' VAL . 28.4 mmm -55.8 -40.19 72.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 111.031 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.486 ' O ' ' C ' ' A' ' 38' ' ' GLU . 7.0 mmm-85 -41.08 -26.61 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.325 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.486 ' C ' ' O ' ' A' ' 37' ' ' ARG . 0.4 OUTLIER -31.74 -40.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.299 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 1.031 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . . . -60.82 -80.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -147.61 -108.87 0.53 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.477 1.111 . . . . 0.0 111.02 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -114.53 129.73 56.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 0.749 . . . . 0.0 109.287 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.643 HG11 HG12 ' A' ' 55' ' ' VAL . 7.9 t -101.36 119.75 49.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 10.7 t -95.52 -29.26 14.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 108.286 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.47 ' CB ' ' OE1' ' A' ' 56' ' ' GLU . 6.7 t80 -125.66 132.16 52.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -152.14 114.22 4.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -135.95 155.78 49.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.294 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.448 HG12 ' HB3' ' A' ' 29' ' ' TRP . 10.9 p -142.18 140.87 29.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -123.45 170.64 10.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.32 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.12 -172.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 74.16 -58.94 0.57 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 139.79 44.75 0.07 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -117.71 161.21 20.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 0.788 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -154.93 169.7 33.09 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.454 1.097 . . . . 0.0 111.001 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.468 ' CE ' ' HG3' ' A' ' 56' ' ' GLU . 1.2 ttp -154.8 127.57 8.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 0.785 . . . . 0.0 110.987 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.867 HG23 HG23 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -135.75 138.24 48.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 109.319 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.47 ' OE1' ' CB ' ' A' ' 44' ' ' TYR . 40.9 mt-10 -111.99 149.15 32.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.345 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.927 ' CE1' ' HB3' ' A' ' 39' ' ' ALA . 44.4 m-85 -121.14 146.41 46.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 110.963 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.454 HD22 ' N ' ' A' ' 58' ' ' LEU . 2.2 mm? -83.6 -5.22 59.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 109.269 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 9.7 mmt180 -129.67 133.27 47.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 110.278 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 75.0 tttt -57.41 -53.07 62.33 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -48.62 -55.53 10.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.155 . . . . 0.0 110.336 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.41 ' O ' ' HB3' ' A' ' 65' ' ' TYR . 81.6 m-20 -40.06 -53.04 2.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.534 ' HA ' ' CD2' ' A' ' 57' ' ' TYR . 17.0 ttp -49.25 -61.96 1.8 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 111.023 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.422 ' HA ' HD12 ' A' ' 67' ' ' LEU . 13.5 mt-10 -59.36 -45.27 91.89 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 110.276 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.568 ' CD1' ' HA ' ' A' ' 39' ' ' ALA . 18.0 t80 -50.47 -62.04 1.83 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 111.001 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 1.031 ' HB2' ' HB2' ' A' ' 39' ' ' ALA . . . -60.08 -38.29 82.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.816 HD23 HG12 ' A' ' 87' ' ' VAL . 18.7 mt -51.77 -56.18 15.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.453 ' O ' ' C ' ' A' ' 69' ' ' LYS . 11.2 mmt180 -72.97 -66.92 0.61 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 110.288 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 68' ' ' ARG . 9.9 mptt -35.93 -60.79 0.52 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.87 ' O ' HG23 ' A' ' 73' ' ' THR . 20.5 mt -65.78 -62.68 1.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 109.27 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.633 ' C ' ' O ' ' A' ' 70' ' ' LEU . 36.1 t0 18.46 90.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.3 t70 60.86 106.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.87 HG23 ' O ' ' A' ' 70' ' ' LEU . 3.0 p -138.2 178.03 7.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 110.391 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -101.93 99.2 9.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 109.257 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -83.57 149.35 26.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 111.02 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 45.3 ttp85 -123.64 114.99 20.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 74.8 p -72.02 173.89 7.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.966 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.534 ' O ' ' CD2' ' A' ' 78' ' ' HIS . 2.2 t60 -72.5 -15.29 61.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.611 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -96.18 5.35 51.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.304 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 92.91 -41.48 2.72 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.493 1.12 . . . . 0.0 111.044 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -38.81 139.32 0.45 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 0.781 . . . . 0.0 110.251 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 77.6 p -124.11 155.12 38.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 110.379 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 83.0 p -156.08 164.15 38.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.035 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -96.92 109.13 21.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.093 . . . . 0.0 110.974 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.489 HG22 ' C ' ' A' ' 22' ' ' GLY . 5.9 pt -107.89 130.37 60.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.127 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.64 152.23 20.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.269 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.816 HG12 HD23 ' A' ' 67' ' ' LEU . 2.0 t -117.25 115.86 50.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.514 ' HA ' HD22 ' A' ' 67' ' ' LEU . 10.9 p90 -146.37 158.01 48.0 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.122 . . . . 0.0 110.933 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 178.65 6.99 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.498 1.788 . . . . 0.0 111.013 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.446 ' OE1' ' NH1' ' A' ' 17' ' ' ARG . 1.4 tt0 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.112 . . . . 0.0 110.29 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.531 0.205 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.57 177.7 7.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 110.268 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.88 HG23 HG23 ' A' ' 55' ' ' VAL . 27.8 m -137.93 124.8 27.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.675 HD11 ' HG2' ' A' ' 90' ' ' GLU . 15.0 mt -83.67 128.04 34.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.552 HG13 ' HB ' ' A' ' 85' ' ' ILE . 70.4 t -112.26 135.96 49.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.342 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 75.1 p -143.34 138.99 29.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.957 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.416 ' O ' HG22 ' A' ' 85' ' ' ILE . . . 99.23 51.0 1.38 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.522 1.139 . . . . 0.0 111.021 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.451 HD23 ' CD2' ' A' ' 75' ' ' PHE . 1.7 mt -100.38 157.22 34.18 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.505 0.767 . . . . 0.0 109.273 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.41 ' CG ' ' HB3' ' A' ' 77' ' ' SER . 18.4 Cg_endo -75.0 168.17 25.43 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.463 1.77 . . . . 0.0 111.039 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -12.97 21.55 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.482 1.78 . . . . 0.0 111.024 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.7 m -109.89 -14.41 14.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.021 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -47.33 155.57 0.92 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.461 1.101 . . . . 0.0 111.009 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 45.6 m -134.67 174.64 10.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 0.779 . . . . 0.0 109.991 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.542 ' HB3' HG12 ' A' ' 47' ' ' VAL . 56.4 p-90 -81.41 -42.77 19.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 108.01 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.525 ' CG ' ' CH2' ' A' ' 29' ' ' TRP . 29.1 mt-30 -48.79 -72.37 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.06 -42.53 60.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.829 HD23 ' C ' ' A' ' 32' ' ' LEU . 0.8 OUTLIER -53.12 -48.4 67.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.504 ' N ' HD23 ' A' ' 32' ' ' LEU . 21.8 ttpt -59.64 -59.2 5.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -40.18 -29.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.434 ' N ' ' O ' ' A' ' 33' ' ' LYS . 5.7 t60 -83.0 -47.88 11.25 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.419 1.074 . . . . 0.0 109.6 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.756 ' HG3' HG21 ' A' ' 55' ' ' VAL . 29.8 mmm -62.87 -41.36 99.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.966 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.485 ' O ' ' C ' ' A' ' 38' ' ' GLU . 14.5 mtm180 -40.66 -26.96 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.283 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.485 ' C ' ' O ' ' A' ' 37' ' ' ARG . 0.4 OUTLIER -31.0 -40.61 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.299 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 1.02 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . . . -63.88 -81.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -147.15 -115.86 0.9 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.505 1.128 . . . . 0.0 111.031 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -105.5 134.85 47.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 0.748 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.452 HG11 HG12 ' A' ' 55' ' ' VAL . 2.8 t -103.95 126.36 58.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.488 ' HB2' HD11 ' A' ' 58' ' ' LEU . 4.5 t -99.26 -32.84 11.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 108.306 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.408 ' CB ' ' HB2' ' A' ' 56' ' ' GLU . 14.8 t80 -121.02 140.04 52.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -151.61 113.14 4.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -140.8 148.44 40.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.419 1.074 . . . . 0.0 109.292 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.542 HG12 ' HB3' ' A' ' 29' ' ' TRP . 7.0 p -131.2 137.73 54.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -105.97 164.43 11.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.288 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.462 ' O ' ' CB ' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -67.93 175.89 2.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 109.338 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.462 ' CB ' ' O ' ' A' ' 49' ' ' LYS . 8.2 t70 79.53 -58.04 0.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.269 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 151.36 44.29 0.02 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.49 1.119 . . . . 0.0 111.006 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.47 ' O ' HG23 ' A' ' 47' ' ' VAL . 0.8 OUTLIER -111.56 158.62 19.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 0.767 . . . . 0.0 110.992 -179.942 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -148.69 158.1 27.54 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.484 1.115 . . . . 0.0 110.966 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.521 ' CE ' ' CG ' ' A' ' 56' ' ' GLU . 0.4 OUTLIER -150.04 132.28 15.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 0.746 . . . . 0.0 110.973 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.88 HG23 HG23 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -141.58 138.4 32.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 109.29 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.521 ' CG ' ' CE ' ' A' ' 54' ' ' MET . 9.5 mt-10 -117.82 123.36 45.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.097 . . . . 0.0 110.311 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.707 ' CE1' ' HB3' ' A' ' 39' ' ' ALA . 51.1 m-85 -91.11 162.54 14.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 110.941 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.49 HD22 ' N ' ' A' ' 58' ' ' LEU . 2.9 mm? -83.25 -38.78 21.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.432 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 11.0 mmp_? -99.81 -174.42 2.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 110.297 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 44.9 tttt -99.5 -57.95 2.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -43.58 -50.32 7.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.288 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' A' ' 59' ' ' ARG . 2.2 p30 -45.92 -48.84 16.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.558 ' HA ' ' CD2' ' A' ' 57' ' ' TYR . 26.6 ttp -56.07 -65.94 0.51 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 111.042 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -52.27 -45.61 65.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.313 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.583 ' CD1' ' HA ' ' A' ' 39' ' ' ALA . 17.9 t80 -50.41 -61.8 1.97 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 110.972 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 1.02 ' HB2' ' HB2' ' A' ' 39' ' ' ALA . . . -59.98 -38.87 83.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.95 HD23 HG12 ' A' ' 87' ' ' VAL . 19.7 mt -51.59 -55.3 20.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.466 ' O ' ' C ' ' A' ' 69' ' ' LYS . 26.3 mmt85 -73.86 -67.89 0.56 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.466 ' C ' ' O ' ' A' ' 68' ' ' ARG . 9.6 mptt -35.27 -59.5 0.52 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.345 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.762 ' HB2' HG21 ' A' ' 87' ' ' VAL . 17.0 mt -66.7 -61.27 2.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.344 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.655 ' C ' ' O ' ' A' ' 70' ' ' LEU . 27.0 t70 15.04 80.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.407 ' CB ' ' O ' ' A' ' 71' ' ' ASP . 7.5 t0 75.04 100.86 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.334 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.712 HG23 ' O ' ' A' ' 70' ' ' LEU . 17.2 p -133.66 168.35 18.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 110.405 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.1 tttt -97.15 100.82 12.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.451 ' CD2' HD23 ' A' ' 23' ' ' LEU . 54.2 t80 -88.77 127.28 35.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.565 1.165 . . . . 0.0 111.007 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 28.5 ttp180 -96.65 114.03 25.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.33 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.41 ' HB3' ' CG ' ' A' ' 24' ' ' PRO . 46.7 p -65.59 159.03 25.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 110.001 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -62.43 -15.47 49.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.632 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -94.55 5.78 50.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.271 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 94.22 -39.81 2.85 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.477 1.11 . . . . 0.0 110.997 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -43.29 136.73 2.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 0.752 . . . . 0.0 110.293 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.9 p -114.24 143.38 44.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.39 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 60.1 m -145.96 161.33 40.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 110.003 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -98.06 120.25 38.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 0.0 110.998 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.552 ' HB ' HG13 ' A' ' 20' ' ' VAL . 4.8 pt -114.3 130.15 69.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.29 144.76 25.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.323 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.95 HG12 HD23 ' A' ' 67' ' ' LEU . 2.0 t -114.47 120.1 63.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.26 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 24.0 p90 -151.12 156.8 35.39 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 171.31 18.57 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.462 1.77 . . . . 0.0 110.994 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.675 ' HG2' HD11 ' A' ' 19' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.317 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.41 ' HA ' ' SD ' ' A' ' 63' ' ' MET . 37.9 m-85 . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.496 0.189 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.416 ' HB3' ' CG ' ' A' ' 56' ' ' GLU . 4.1 ptp180 -116.83 177.34 4.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.33 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.901 HG23 HG23 ' A' ' 55' ' ' VAL . 14.6 m -134.48 124.82 45.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.413 HD11 ' HG2' ' A' ' 90' ' ' GLU . 13.6 mt -82.79 127.54 33.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.441 ' CG1' HD11 ' A' ' 23' ' ' LEU . 12.9 t -114.15 134.36 57.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 9.0 p -141.83 153.22 44.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.036 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.54 ' C ' HG22 ' A' ' 85' ' ' ILE . . . 87.99 40.57 6.58 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.543 1.152 . . . . 0.0 111.007 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.51 HD23 ' CD2' ' A' ' 75' ' ' PHE . 3.7 mt -90.73 158.41 42.46 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.489 0.758 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 171.01 19.15 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.51 1.795 . . . . 0.0 110.993 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -21.79 15.47 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.498 1.788 . . . . 0.0 111.024 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.5 m -104.63 -8.63 18.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.015 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -57.36 136.78 50.27 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.516 1.135 . . . . 0.0 110.977 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.4 m -114.4 177.04 4.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 0.773 . . . . 0.0 109.981 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.695 ' HB3' HG22 ' A' ' 47' ' ' VAL . 51.1 p-90 -84.34 -36.56 22.44 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.448 ' HG3' ' CZ3' ' A' ' 29' ' ' TRP . 52.0 mt-30 -50.38 -73.21 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 110.295 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -49.67 -39.24 35.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 109.263 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.807 HD23 ' C ' ' A' ' 32' ' ' LEU . 0.9 OUTLIER -57.01 -48.99 77.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.518 ' N ' HD23 ' A' ' 32' ' ' LEU . 9.6 ttpt -57.79 -56.08 26.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -47.51 -23.84 0.72 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -88.81 -48.62 7.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 109.597 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.649 ' HG3' HG21 ' A' ' 55' ' ' VAL . 28.3 mmm -63.51 -40.54 97.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 111.004 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.501 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 1.4 mtm180 -42.21 -25.56 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 110.3 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.493 ' C ' ' O ' ' A' ' 37' ' ' ARG . 0.4 OUTLIER -31.22 -40.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 110.295 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 1.019 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . . . -63.35 -83.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -140.31 -122.74 1.94 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.499 1.124 . . . . 0.0 110.997 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -107.12 130.26 54.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 0.735 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.459 HG11 HG12 ' A' ' 55' ' ' VAL . 21.5 t -90.78 133.44 32.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.462 ' HB2' HD21 ' A' ' 58' ' ' LEU . 22.8 t -99.32 -32.13 11.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 108.317 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -140.92 139.72 34.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 111.014 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -144.01 128.15 17.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -144.17 161.64 38.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.695 HG22 ' HB3' ' A' ' 29' ' ' TRP . 0.9 OUTLIER -133.69 152.32 34.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.328 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -124.43 162.52 23.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.298 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.402 ' O ' ' CB ' ' A' ' 50' ' ' ASP . 2.2 pttp -65.89 178.08 1.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.402 ' CB ' ' O ' ' A' ' 49' ' ' LYS . 0.9 OUTLIER 75.03 -57.89 0.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 22' ' ' GLY . . . 149.36 44.4 0.03 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.531 1.144 . . . . 0.0 111.008 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -113.66 160.93 18.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 0.774 . . . . 0.0 110.982 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -152.16 167.06 31.19 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.475 1.11 . . . . 0.0 110.977 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -152.01 136.22 16.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 0.76 . . . . 0.0 110.979 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.901 HG23 HG23 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -142.07 130.92 22.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.416 ' CG ' ' HB3' ' A' ' 17' ' ' ARG . 1.4 mt-10 -110.52 113.24 25.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.297 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.578 ' CE1' ' HB3' ' A' ' 39' ' ' ALA . 25.1 m-85 -82.01 176.28 9.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 111.003 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.462 HD21 ' HB2' ' A' ' 43' ' ' CYS . 13.0 mt -105.54 -11.87 16.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 16.1 mmm180 -129.51 144.42 51.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 110.338 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 20.3 tttp -67.43 -53.45 28.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.239 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -48.49 -38.12 19.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.265 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 -59.6 -45.42 91.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.522 ' HG3' HG13 ' A' ' 18' ' ' VAL . 9.4 ttp -54.91 -60.58 3.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 111.033 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -56.76 -45.28 82.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.341 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.58 ' CD1' ' HA ' ' A' ' 39' ' ' ALA . 18.2 t80 -51.03 -62.16 1.79 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.978 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 1.019 ' HB2' ' HB2' ' A' ' 39' ' ' ALA . . . -59.73 -39.79 85.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.582 1.176 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.877 HD23 HG12 ' A' ' 87' ' ' VAL . 18.5 mt -51.03 -55.46 17.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.465 ' O ' ' C ' ' A' ' 69' ' ' LYS . 22.0 mmm180 -73.12 -68.4 0.49 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.267 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.465 ' C ' ' O ' ' A' ' 68' ' ' ARG . 1.1 mptp? -34.97 -60.65 0.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.083 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.752 ' O ' HG23 ' A' ' 73' ' ' THR . 20.4 mt -65.36 -62.06 1.75 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.262 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.658 ' C ' ' O ' ' A' ' 70' ' ' LEU . 29.1 t70 15.97 86.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.405 ' OD1' ' CD2' ' A' ' 84' ' ' TYR . 7.6 t0 68.77 104.49 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.752 HG23 ' O ' ' A' ' 70' ' ' LEU . 9.9 p -136.69 171.45 14.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 110.398 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.404 ' HE3' HG21 ' A' ' 82' ' ' THR . 14.1 tttt -99.0 99.48 10.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.51 ' CD2' HD23 ' A' ' 23' ' ' LEU . 50.1 t80 -87.08 127.88 35.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.113 . . . . 0.0 111.004 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 21.9 ttp180 -99.87 111.83 24.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.427 1.08 . . . . 0.0 110.308 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 23.7 p -64.06 159.73 19.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.581 1.176 . . . . 0.0 109.963 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -61.46 -18.04 57.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.608 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -87.51 -3.03 59.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 98.66 -29.92 10.66 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.527 1.142 . . . . 0.0 110.955 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -49.12 156.06 0.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 0.785 . . . . 0.0 110.319 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.404 HG21 ' HE3' ' A' ' 74' ' ' LYS . 10.0 p -125.24 157.41 36.61 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 110.425 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 38.1 m -163.5 152.48 14.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.029 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.405 ' CD2' ' OD1' ' A' ' 72' ' ' ASP . 0.1 OUTLIER -94.35 111.43 23.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.962 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.54 HG22 ' C ' ' A' ' 22' ' ' GLY . 12.0 pt -109.89 132.84 57.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.277 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.22 152.57 19.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.349 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.877 HG12 HD23 ' A' ' 67' ' ' LEU . 1.9 t -117.86 114.36 45.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.444 1.09 . . . . 0.0 109.32 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.423 ' HA ' HD22 ' A' ' 67' ' ' LEU . 12.4 p90 -144.84 156.68 55.58 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -177.09 3.23 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.476 1.777 . . . . 0.0 110.984 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.413 ' HG2' HD11 ' A' ' 19' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 110.313 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.487 ' CE2' ' HB2' ' A' ' 60' ' ' LYS . 53.2 m-85 . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.525 0.202 . . . . 0.0 110.987 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.3 ptp85 -129.06 177.71 6.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.319 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.958 HG23 HG23 ' A' ' 55' ' ' VAL . 21.2 m -132.74 122.97 48.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.528 ' O ' ' CD1' ' A' ' 88' ' ' TYR . 7.6 mt -82.48 124.25 29.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.272 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.435 ' O ' ' N ' ' A' ' 53' ' ' GLY . 79.6 t -110.07 140.26 29.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 93.3 p -149.03 129.06 13.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.97 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.622 ' O ' HG22 ' A' ' 85' ' ' ILE . . . 110.78 48.37 0.74 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.497 1.123 . . . . 0.0 111.025 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.904 HD12 ' O ' ' A' ' 51' ' ' GLY . 5.4 mt -91.79 157.46 41.55 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.507 0.769 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 170.15 21.05 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.513 1.796 . . . . 0.0 110.974 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -13.26 21.38 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.529 1.805 . . . . 0.0 111.03 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.407 ' CB ' ' HB2' ' A' ' 79' ' ' GLU . 42.0 p -113.94 -12.52 12.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 109.995 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -51.28 158.02 2.54 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.502 1.126 . . . . 0.0 111.019 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 58.7 m -141.21 173.37 11.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 0.75 . . . . 0.0 110.001 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.569 ' CZ2' ' HG3' ' A' ' 30' ' ' GLN . 47.3 p-90 -77.52 -44.62 28.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 108.018 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.569 ' HG3' ' CZ2' ' A' ' 29' ' ' TRP . 47.2 mt-30 -45.95 -73.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.327 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.423 ' HB3' ' CE1' ' A' ' 75' ' ' PHE . 0.5 OUTLIER -49.93 -47.85 52.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.26 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.809 HD23 ' C ' ' A' ' 32' ' ' LEU . 1.0 OUTLIER -47.45 -48.2 26.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.492 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 12.8 ttpt -56.62 -60.54 3.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -40.72 -29.09 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.428 ' N ' ' O ' ' A' ' 33' ' ' LYS . 4.4 t60 -84.77 -60.03 2.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.581 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.747 ' HG3' HG21 ' A' ' 55' ' ' VAL . 27.2 mmm -51.52 -38.32 53.54 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.097 . . . . 0.0 111.013 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.492 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 6.6 mmm180 -44.2 -25.01 0.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 110.288 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.476 ' C ' ' O ' ' A' ' 37' ' ' ARG . 3.4 mm-40 -32.04 -40.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.298 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 1.093 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . . . -61.19 -82.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -142.74 -106.17 0.57 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.453 1.096 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.444 ' HB3' HD23 ' A' ' 58' ' ' LEU . 24.8 t0 -120.37 131.24 54.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 0.762 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.512 HG11 HG12 ' A' ' 55' ' ' VAL . 9.8 t -96.47 119.14 44.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.618 ' HB2' HD11 ' A' ' 58' ' ' LEU . 19.3 t -88.26 -20.28 25.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 108.306 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 52.4 t80 -150.39 141.75 23.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.983 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -151.35 114.87 4.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -131.5 167.22 19.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.477 HG23 ' HB3' ' A' ' 29' ' ' TRP . 52.0 t -142.01 143.2 27.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -118.69 166.36 12.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.56 ' O ' ' CB ' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -62.55 165.74 5.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.166 . . . . 0.0 109.287 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.56 ' CB ' ' O ' ' A' ' 49' ' ' LYS . 3.0 t0 88.02 -37.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.904 ' O ' HD12 ' A' ' 23' ' ' LEU . . . 130.32 -1.65 5.73 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.523 1.139 . . . . 0.0 111.027 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.19 161.48 13.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.566 0.804 . . . . 0.0 111.059 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -154.23 163.74 31.17 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.447 1.092 . . . . 0.0 110.955 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.9 131.99 16.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 0.742 . . . . 0.0 111.01 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.958 HG23 HG23 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -143.7 132.97 20.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -103.35 157.54 16.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 110.273 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.749 ' CE1' ' HB3' ' A' ' 39' ' ' ALA . 25.8 m-85 -130.38 146.44 51.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.986 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.618 HD11 ' HB2' ' A' ' 43' ' ' CYS . 1.3 mm? -86.58 9.79 17.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.353 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 19.9 mmt180 -146.2 127.46 14.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 110.296 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.487 ' HB2' ' CE2' ' A' ' 16' ' ' PHE . 81.0 tttt -57.93 -57.02 14.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -48.78 -47.7 41.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.329 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -53.93 -37.1 63.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.329 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.681 ' SD ' HD11 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -59.51 -53.86 53.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 111.009 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.592 ' HA ' HD12 ' A' ' 67' ' ' LEU . 25.3 mt-10 -64.94 -40.3 94.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.581 ' CD1' ' HA ' ' A' ' 39' ' ' ALA . 20.3 t80 -50.12 -63.4 1.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.973 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 1.093 ' HB2' ' HB2' ' A' ' 39' ' ' ALA . . . -58.93 -38.47 79.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.718 HD23 HG12 ' A' ' 87' ' ' VAL . 19.6 mt -51.32 -56.98 10.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.461 ' O ' ' C ' ' A' ' 69' ' ' LYS . 3.2 mmt180 -72.86 -66.89 0.61 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.299 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.461 ' C ' ' O ' ' A' ' 68' ' ' ARG . 13.3 mptt -35.5 -60.73 0.49 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.762 ' HB2' HG21 ' A' ' 87' ' ' VAL . 19.2 mt -65.65 -62.08 1.72 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.648 ' C ' ' O ' ' A' ' 70' ' ' LEU . 38.5 t70 15.91 76.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.327 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.451 ' CB ' ' O ' ' A' ' 71' ' ' ASP . 9.1 t0 78.82 102.63 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.746 HG23 ' O ' ' A' ' 70' ' ' LEU . 20.3 p -138.96 166.86 23.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.373 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.5 tttt -94.57 105.86 17.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.532 ' CE1' ' HA ' ' A' ' 32' ' ' LEU . 35.5 t80 -93.87 127.9 39.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.992 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.8 ttp180 -94.63 118.13 31.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 110.287 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 84.3 p -70.38 167.54 17.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 110.038 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.572 ' O ' ' CD2' ' A' ' 78' ' ' HIS . 1.1 t60 -69.21 -14.47 62.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.441 1.088 . . . . 0.0 109.58 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.407 ' HB2' ' CB ' ' A' ' 26' ' ' SER . 1.0 OUTLIER -94.28 -3.56 50.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.283 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 103.71 -38.83 3.05 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.506 1.129 . . . . 0.0 110.983 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -41.89 159.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 0.773 . . . . 0.0 110.299 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 23.6 p -137.38 156.77 47.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.372 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 51.4 p -160.47 162.28 33.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.007 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -95.38 112.37 24.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 110.957 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.622 HG22 ' O ' ' A' ' 22' ' ' GLY . 6.5 pt -106.63 130.72 58.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.59 153.8 20.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.268 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.762 HG21 ' HB2' ' A' ' 70' ' ' LEU . 2.2 t -124.29 116.85 48.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.528 ' CD1' ' O ' ' A' ' 19' ' ' LEU . 13.7 p90 -145.45 157.83 51.77 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 166.63 28.81 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.469 1.773 . . . . 0.0 111.007 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.417 ' HG2' HD11 ' A' ' 19' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.317 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.565 ' CD1' ' HG3' ' A' ' 60' ' ' LYS . 42.2 m-85 . . . . . 0 N--CA 1.454 -0.266 0 CA-C-O 120.461 0.172 . . . . 0.0 110.947 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.555 ' HD2' HD11 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -128.59 177.97 6.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.165 . . . . 0.0 110.271 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.859 HG23 HG23 ' A' ' 55' ' ' VAL . 27.8 m -139.3 124.8 21.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 109.293 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.713 HD21 ' CG ' ' A' ' 90' ' ' GLU . 1.1 mm? -84.46 128.7 34.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.271 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.429 ' O ' ' N ' ' A' ' 53' ' ' GLY . 62.4 t -115.57 134.7 57.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.407 ' O ' ' HA ' ' A' ' 85' ' ' ILE . 0.4 OUTLIER -142.9 149.97 39.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 110.009 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 51' ' ' GLY . . . 91.01 47.35 3.64 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.453 1.096 . . . . 0.0 111.065 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.456 ' HG ' ' CG2' ' A' ' 85' ' ' ILE . 1.5 mt -94.74 157.05 37.55 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.509 0.77 . . . . 0.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 172.04 17.14 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.49 1.784 . . . . 0.0 110.956 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -19.3 17.97 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.497 1.788 . . . . 0.0 110.984 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.4 m -105.3 -10.22 17.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.991 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -55.46 144.87 32.69 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.482 1.113 . . . . 0.0 110.992 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.15 -177.42 4.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 0.733 . . . . 0.0 110.028 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.57 ' CH2' ' HG2' ' A' ' 30' ' ' GLN . 39.7 p-90 -88.75 -36.33 16.19 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.57 ' HG2' ' CH2' ' A' ' 29' ' ' TRP . 7.0 mt-30 -47.08 -70.74 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.336 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.37 -50.82 68.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.815 HD23 ' C ' ' A' ' 32' ' ' LEU . 0.9 OUTLIER -45.48 -47.14 14.02 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.513 ' O ' ' N ' ' A' ' 36' ' ' MET . 7.5 tttt -55.26 -69.67 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 33' ' ' LYS . 5.9 t0 -39.45 -38.0 0.52 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -68.36 -47.63 66.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.622 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.73 ' HG3' HG21 ' A' ' 55' ' ' VAL . 28.8 mmm -67.7 -41.81 83.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.14 . . . . 0.0 111.011 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.494 ' O ' ' C ' ' A' ' 38' ' ' GLU . 21.5 mtp180 -39.58 -28.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 110.304 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.494 ' C ' ' O ' ' A' ' 37' ' ' ARG . 5.2 mm-40 -31.18 -40.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.322 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 1.085 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . . . -62.2 -81.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -149.18 -123.15 1.24 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.505 1.128 . . . . 0.0 110.978 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.683 ' HB3' HD13 ' A' ' 58' ' ' LEU . 0.7 OUTLIER -95.4 133.62 39.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 0.788 . . . . 0.0 109.289 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.45 HG21 ' HG2' ' A' ' 37' ' ' ARG . 24.9 t -104.18 116.56 48.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 25.8 p -93.78 -24.14 17.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 108.35 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.522 ' CD1' ' HE2' ' A' ' 54' ' ' MET . 16.1 t80 -129.9 137.46 50.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -152.22 114.43 4.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.265 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -145.34 158.92 43.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 109.329 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 52' ' ' MET . 7.8 p -139.18 140.68 37.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -109.64 162.28 14.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.32 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.31 -178.37 0.25 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 109.262 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.1 t70 74.22 -58.85 0.57 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.419 ' O ' ' N ' ' A' ' 22' ' ' GLY . . . 149.91 44.14 0.03 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.474 1.109 . . . . 0.0 110.983 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.504 ' O ' HG23 ' A' ' 47' ' ' VAL . 0.9 OUTLIER -110.14 166.38 11.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 0.779 . . . . 0.0 111.018 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -158.5 160.62 31.13 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.485 1.115 . . . . 0.0 110.989 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.522 ' HE2' ' CD1' ' A' ' 44' ' ' TYR . 2.0 ttp -153.34 130.83 11.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 0.756 . . . . 0.0 111.009 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.859 HG23 HG23 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -138.89 142.46 34.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.34 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.434 ' CG ' ' HE3' ' A' ' 54' ' ' MET . 13.7 mt-10 -117.66 140.36 49.76 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.475 1.109 . . . . 0.0 110.283 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.722 ' CE1' ' HB3' ' A' ' 39' ' ' ALA . 43.1 m-85 -111.08 169.49 8.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 111.023 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.683 HD13 ' HB3' ' A' ' 41' ' ' ASP . 4.6 mp -95.89 -35.97 11.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.115 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 5.6 mmt-85 -105.29 139.35 40.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.262 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.565 ' HG3' ' CD1' ' A' ' 16' ' ' PHE . 25.1 tttp -58.43 -56.64 19.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.238 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -45.23 -52.68 9.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.301 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.583 ' O ' ' HB1' ' A' ' 39' ' ' ALA . 97.1 m-20 -46.81 -37.17 8.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.703 ' SD ' HD11 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -62.91 -67.69 0.4 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 111.019 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.649 ' HA ' HD12 ' A' ' 67' ' ' LEU . 27.0 mt-10 -52.61 -39.43 61.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 110.312 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.588 ' CD1' ' HA ' ' A' ' 39' ' ' ALA . 34.2 t80 -50.64 -68.51 0.16 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.997 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 1.085 ' HB2' ' HB2' ' A' ' 39' ' ' ALA . . . -55.79 -38.09 69.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.821 HD23 HG12 ' A' ' 87' ' ' VAL . 25.4 mt -50.81 -57.96 7.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.332 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.46 ' O ' ' C ' ' A' ' 69' ' ' LYS . 3.0 mmt180 -73.61 -66.38 0.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.298 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.497 ' HD3' ' CD2' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -35.07 -60.0 0.48 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.853 ' O ' HG23 ' A' ' 73' ' ' THR . 18.9 mt -67.56 -62.0 1.62 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.64 ' C ' ' O ' ' A' ' 70' ' ' LEU . 38.5 t0 17.0 91.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.7 t0 61.74 106.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.853 HG23 ' O ' ' A' ' 70' ' ' LEU . 3.5 p -138.62 171.43 14.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 110.395 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.4 tttt -95.51 99.15 11.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.411 ' CD2' HD23 ' A' ' 23' ' ' LEU . 59.1 t80 -88.14 136.96 32.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 111.003 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 50.1 ttp180 -114.55 120.06 38.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.286 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 86.3 p -68.93 173.16 5.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.986 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 1.3 p-80 -73.8 -10.9 60.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.602 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -90.81 -9.3 46.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 0.0 110.31 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 104.09 -23.97 30.59 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.481 1.113 . . . . 0.0 110.992 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -52.4 157.4 1.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 0.801 . . . . 0.0 110.302 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.6 p -127.54 147.98 50.33 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 110.367 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 51.1 m -154.33 164.87 37.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.115 . . . . 0.0 110.013 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -105.83 117.16 33.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 0.0 110.997 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.456 ' CG2' ' HG ' ' A' ' 23' ' ' LEU . 14.3 pt -114.87 133.12 62.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.55 158.06 15.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 110.272 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.821 HG12 HD23 ' A' ' 67' ' ' LEU . 2.2 t -127.3 120.14 54.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.166 . . . . 0.0 109.272 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.4 ' HA ' HD22 ' A' ' 67' ' ' LEU . 37.2 p90 -153.44 155.73 31.86 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 111.048 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.44 ' C ' HD23 ' A' ' 19' ' ' LEU . 18.3 Cg_endo -74.96 171.02 19.13 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.488 1.783 . . . . 0.0 110.978 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.713 ' CG ' HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.28 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.528 0.204 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.5 ptt180 -131.96 177.15 7.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.305 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.81 HG23 HG23 ' A' ' 55' ' ' VAL . 21.3 m -131.01 131.43 64.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.616 HD11 ' HG2' ' A' ' 90' ' ' GLU . 10.0 mt -89.9 124.25 34.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.687 HG13 ' HB ' ' A' ' 85' ' ' ILE . 10.3 t -112.71 139.49 37.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 58.2 m -148.71 130.14 14.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 110.031 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.579 ' C ' HG22 ' A' ' 85' ' ' ILE . . . 115.67 32.83 1.67 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.929 HD12 ' O ' ' A' ' 51' ' ' GLY . 4.7 mt -77.23 156.69 81.55 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.493 0.76 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 169.9 21.57 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.497 1.788 . . . . 0.0 110.97 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -12.84 21.47 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.556 1.819 . . . . 0.0 111.018 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.2 m -117.68 0.91 12.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.132 . . . . 0.0 110.029 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -62.81 161.57 32.04 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.53 1.144 . . . . 0.0 111.015 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.1 m -140.67 175.48 9.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 0.743 . . . . 0.0 109.986 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.532 ' CZ2' ' HG3' ' A' ' 30' ' ' GLN . 44.7 p-90 -84.81 -40.54 17.06 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.532 ' HG3' ' CZ2' ' A' ' 29' ' ' TRP . 39.9 mt-30 -49.68 -73.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.304 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.77 -39.4 25.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.26 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.825 HD23 ' C ' ' A' ' 32' ' ' LEU . 0.7 OUTLIER -56.67 -48.31 77.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.549 ' N ' HD23 ' A' ' 32' ' ' LEU . 0.4 OUTLIER -54.4 -60.71 2.98 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -42.88 -27.51 0.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.412 ' N ' ' C ' ' A' ' 33' ' ' LYS . 4.3 t60 -85.86 -56.39 3.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 109.626 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.719 ' HG3' HG21 ' A' ' 55' ' ' VAL . 25.1 mmm -55.61 -40.43 72.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 110.978 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.502 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 1.7 mmm180 -42.09 -25.84 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.34 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.485 ' C ' ' O ' ' A' ' 37' ' ' ARG . 4.7 mm-40 -31.46 -40.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.297 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 1.086 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . . . -59.66 -75.02 0.06 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -153.07 -103.22 0.23 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.463 1.102 . . . . 0.0 110.987 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -122.85 128.34 50.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 0.762 . . . . 0.0 109.292 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.539 HG11 HG12 ' A' ' 55' ' ' VAL . 6.9 t -94.93 126.03 47.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.354 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.561 ' HB2' HD21 ' A' ' 58' ' ' LEU . 8.4 t -91.2 -26.47 19.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 108.299 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -145.81 142.28 28.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 111.003 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -150.66 115.65 5.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -134.06 165.85 24.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.322 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.466 HG23 ' HB3' ' A' ' 29' ' ' TRP . 30.5 t -142.12 144.43 25.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -120.58 167.96 11.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 110.349 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.556 ' O ' ' CB ' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -62.22 169.22 2.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 109.336 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.556 ' CB ' ' O ' ' A' ' 49' ' ' LYS . 6.0 t0 87.05 -42.2 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.929 ' O ' HD12 ' A' ' 23' ' ' LEU . . . 132.6 -3.01 5.0 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.551 1.157 . . . . 0.0 110.954 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.27 154.55 41.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 0.771 . . . . 0.0 110.972 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -150.63 171.96 30.4 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.519 1.137 . . . . 0.0 110.999 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -149.38 143.67 25.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 0.785 . . . . 0.0 111.026 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.81 HG23 HG23 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -151.1 124.47 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -93.77 153.61 18.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.429 1.081 . . . . 0.0 110.319 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.757 ' CE1' ' HB3' ' A' ' 39' ' ' ALA . 14.3 m-85 -128.12 142.7 51.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.558 1.162 . . . . 0.0 110.97 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.561 HD21 ' HB2' ' A' ' 43' ' ' CYS . 1.6 mm? -82.37 -4.31 57.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -131.27 134.31 46.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.331 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.9 tttp -61.5 -57.29 12.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.565 1.166 . . . . 0.0 109.315 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -44.18 -52.76 7.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.284 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.544 ' HB3' ' HB1' ' A' ' 39' ' ' ALA . 76.0 m-20 -44.44 -50.49 9.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 109.336 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.412 ' HA ' ' CD2' ' A' ' 57' ' ' TYR . 14.5 ttp -48.33 -60.98 2.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.997 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.527 ' HA ' HD12 ' A' ' 67' ' ' LEU . 19.0 mt-10 -62.58 -43.94 97.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.319 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.571 ' CD1' ' HA ' ' A' ' 39' ' ' ALA . 17.0 t80 -50.75 -61.8 1.99 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.961 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 1.086 ' HB2' ' HB2' ' A' ' 39' ' ' ALA . . . -59.41 -38.1 79.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.707 HD23 HG12 ' A' ' 87' ' ' VAL . 16.4 mt -52.73 -54.54 32.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.269 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.446 ' O ' ' C ' ' A' ' 69' ' ' LYS . 17.8 mmt180 -73.5 -67.38 0.59 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -36.24 -59.87 0.6 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.289 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.839 ' O ' HG23 ' A' ' 73' ' ' THR . 20.1 mt -66.21 -62.5 1.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.637 ' C ' ' O ' ' A' ' 70' ' ' LEU . 33.7 t70 18.14 89.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.556 ' OD1' ' CE2' ' A' ' 84' ' ' TYR . 5.6 t70 61.48 102.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 109.331 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.839 HG23 ' O ' ' A' ' 70' ' ' LEU . 3.3 p -132.17 -179.39 5.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 110.413 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.1 tttt -107.42 98.7 8.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.45 ' CE1' ' HA ' ' A' ' 32' ' ' LEU . 49.6 t80 -90.43 127.44 36.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.961 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.7 ttp180 -96.6 121.85 38.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 110.321 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 87.0 p -69.76 165.36 21.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 110.007 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.579 ' O ' ' CD2' ' A' ' 78' ' ' HIS . 0.5 OUTLIER -68.54 -12.87 61.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.582 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -96.59 -6.48 36.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.32 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 108.74 -40.68 2.46 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.471 1.107 . . . . 0.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -41.33 151.45 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 0.752 . . . . 0.0 110.286 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 31.8 p -130.33 148.91 52.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.423 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 11.7 m -148.91 165.37 31.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.979 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.556 ' CE2' ' OD1' ' A' ' 72' ' ' ASP . 0.1 OUTLIER -103.1 108.87 20.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 110.98 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.687 ' HB ' HG13 ' A' ' 20' ' ' VAL . 4.1 pt -105.92 130.03 58.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.67 149.98 21.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 110.314 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.719 HG21 ' HB2' ' A' ' 70' ' ' LEU . 1.8 t -116.77 114.92 47.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.436 ' HA ' HD22 ' A' ' 67' ' ' LEU . 14.2 p90 -145.81 156.87 51.81 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.986 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 177.33 8.72 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.483 1.781 . . . . 0.0 110.971 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.616 ' HG2' HD11 ' A' ' 19' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.326 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.549 ' CE2' ' HB2' ' A' ' 60' ' ' LYS . 26.0 m-85 . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.474 0.178 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.449 ' HD2' ' CD2' ' A' ' 19' ' ' LEU . 0.3 OUTLIER -125.73 176.7 6.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 110.286 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.909 HG23 HG23 ' A' ' 55' ' ' VAL . 17.0 m -133.9 119.86 33.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 0.0 109.276 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.461 HD11 ' HB3' ' A' ' 90' ' ' GLU . 40.3 mt -84.09 128.05 34.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 65.2 t -115.88 141.49 33.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 109.333 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.505 ' CB ' ' SD ' ' A' ' 52' ' ' MET . 51.9 p -143.8 154.52 43.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.023 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.888 ' O ' HG22 ' A' ' 85' ' ' ILE . . . 79.0 60.99 2.45 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.499 1.124 . . . . 0.0 110.979 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.467 HD23 ' CD2' ' A' ' 75' ' ' PHE . 3.9 mt -106.24 158.96 31.37 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.473 0.749 . . . . 0.0 109.3 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 171.36 18.47 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.526 1.803 . . . . 0.0 110.934 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -20.1 17.16 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.531 1.806 . . . . 0.0 111.054 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.402 ' HB2' ' CB ' ' A' ' 77' ' ' SER . 1.2 m -99.93 -14.97 18.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 110.04 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -48.92 134.07 22.56 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.523 1.14 . . . . 0.0 110.993 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.7 m -123.26 169.71 11.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 0.754 . . . . 0.0 109.995 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.613 ' CE3' ' N ' ' A' ' 30' ' ' GLN . 29.4 p-90 -71.6 -39.52 70.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 108.005 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.613 ' N ' ' CE3' ' A' ' 29' ' ' TRP . 1.4 tm0? -50.95 -73.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 110.251 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -50.09 -44.57 52.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.709 HD23 ' C ' ' A' ' 32' ' ' LEU . 3.1 tt -53.01 -51.66 60.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 109.325 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.516 ' O ' ' N ' ' A' ' 36' ' ' MET . 15.7 ttpt -58.11 -65.63 0.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.446 ' OD1' ' NE2' ' A' ' 30' ' ' GLN . 1.0 OUTLIER -39.86 -29.66 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.436 ' N ' ' O ' ' A' ' 33' ' ' LYS . 6.0 t60 -82.66 -46.02 13.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.621 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.794 ' HG3' HG21 ' A' ' 55' ' ' VAL . 23.4 mmm -64.43 -39.21 93.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.98 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.486 ' O ' ' C ' ' A' ' 38' ' ' GLU . 5.0 mtm105 -42.47 -25.59 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.306 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.486 ' C ' ' O ' ' A' ' 37' ' ' ARG . 3.7 mm-40 -31.05 -40.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 110.265 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 1.009 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . . . -66.38 -81.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -148.74 -130.09 1.88 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.537 1.148 . . . . 0.0 111.027 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -88.49 136.86 32.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 0.745 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.8 t -106.77 117.06 51.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.282 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.444 ' HB2' HD21 ' A' ' 58' ' ' LEU . 43.0 t -92.42 -25.52 18.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 108.331 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.513 ' CD1' ' CE ' ' A' ' 54' ' ' MET . 6.6 t80 -127.88 132.81 49.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.127 . . . . 0.0 110.959 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -148.2 114.71 5.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -144.65 163.28 34.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.473 HG12 ' HB3' ' A' ' 29' ' ' TRP . 5.7 p -140.56 139.08 35.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 109.267 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 58.1 mt-30 -108.99 170.16 8.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.269 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.95 -174.26 1.18 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.158 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.4 t0 72.83 -59.44 0.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.277 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.42 ' O ' ' N ' ' A' ' 22' ' ' GLY . . . 149.15 43.98 0.03 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.452 1.095 . . . . 0.0 111.002 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.505 ' SD ' ' CB ' ' A' ' 21' ' ' SER . 26.0 mmm -116.98 171.01 8.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 0.75 . . . . 0.0 110.996 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -157.13 167.97 33.95 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.457 1.098 . . . . 0.0 111.016 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.513 ' CE ' ' CD1' ' A' ' 44' ' ' TYR . 0.0 OUTLIER -152.17 137.39 17.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 0.793 . . . . 0.0 110.961 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.909 HG23 HG23 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -147.9 148.79 15.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.577 1.173 . . . . 0.0 109.316 179.939 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.442 ' HB2' ' CB ' ' A' ' 44' ' ' TYR . 2.4 mm-40 -115.22 164.21 14.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.664 ' CE1' ' HB3' ' A' ' 39' ' ' ALA . 22.3 m-85 -138.84 143.89 39.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 111.019 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.445 HD22 ' N ' ' A' ' 58' ' ' LEU . 1.4 mm? -86.66 7.01 28.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -141.86 132.29 25.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.16 . . . . 0.0 110.297 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.549 ' HB2' ' CE2' ' A' ' 16' ' ' PHE . 12.8 tttt -58.46 -53.67 55.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.238 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -47.61 -54.02 13.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.334 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.404 ' O ' ' HB3' ' A' ' 65' ' ' TYR . 84.8 m-20 -43.09 -51.79 5.67 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 109.344 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.482 ' HG3' HG13 ' A' ' 18' ' ' VAL . 20.1 ttp -51.5 -64.18 0.89 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 111.037 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -55.72 -46.04 77.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.547 ' CD1' ' HA ' ' A' ' 39' ' ' ALA . 24.5 t80 -50.51 -64.88 0.67 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 1.009 ' HB2' ' HB2' ' A' ' 39' ' ' ALA . . . -58.16 -38.57 76.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.971 HD23 HG12 ' A' ' 87' ' ' VAL . 18.7 mt -51.13 -57.51 8.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.546 ' O ' ' CB ' ' A' ' 71' ' ' ASP . 4.5 mmp_? -71.65 -66.87 0.58 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 68' ' ' ARG . 0.2 OUTLIER -36.65 -62.81 0.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.778 ' HB2' HG21 ' A' ' 87' ' ' VAL . 30.6 mt -60.68 -50.24 74.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.682 ' C ' ' O ' ' A' ' 70' ' ' LEU . 27.0 t0 -9.49 106.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 14.5 t70 60.84 103.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.339 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.645 HG23 ' O ' ' A' ' 70' ' ' LEU . 0.2 OUTLIER -147.43 175.33 10.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 110.402 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.2 tttt -108.07 98.66 8.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.467 ' CD2' HD23 ' A' ' 23' ' ' LEU . 33.2 t80 -83.82 134.82 34.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 111.015 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.3 ttp180 -108.4 112.97 25.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.275 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.402 ' CB ' ' HB2' ' A' ' 26' ' ' SER . 10.1 p -62.38 168.22 3.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.01 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 2.4 p-80 -70.21 -10.77 59.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.555 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -89.68 -1.33 57.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.312 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 95.23 -23.21 34.54 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.478 1.111 . . . . 0.0 111.023 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -58.72 156.18 11.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 0.753 . . . . 0.0 110.319 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.2 p -130.24 146.52 51.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 110.404 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 18.7 m -151.61 166.73 30.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.063 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -100.4 127.19 46.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.996 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.888 HG22 ' O ' ' A' ' 22' ' ' GLY . 45.4 pt -115.77 -173.66 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.75 132.74 18.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.12 . . . . 0.0 110.277 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.971 HG12 HD23 ' A' ' 67' ' ' LEU . 2.3 t -105.73 121.06 57.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.449 ' CD1' ' O ' ' A' ' 19' ' ' LEU . 22.4 p90 -147.59 158.31 43.39 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 111.013 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -168.56 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.484 1.781 . . . . 0.0 111.003 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.461 ' HB3' HD11 ' A' ' 19' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 110.303 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.428 ' HA ' ' SD ' ' A' ' 63' ' ' MET . 11.8 m-85 . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.521 0.2 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.535 ' HD2' HD11 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -139.85 177.86 7.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.276 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.771 ' CG2' HG23 ' A' ' 55' ' ' VAL . 34.5 m -136.95 132.75 47.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.6 HD21 ' HB2' ' A' ' 90' ' ' GLU . 1.6 mm? -92.84 118.86 31.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.42 1.075 . . . . 0.0 109.29 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.608 HG13 ' HB ' ' A' ' 85' ' ' ILE . 10.0 t -99.12 136.49 29.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 75.2 m -145.84 135.81 23.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.098 . . . . 0.0 110.029 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 108.63 38.16 1.95 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.532 1.145 . . . . 0.0 110.968 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.564 HD23 ' CD2' ' A' ' 75' ' ' PHE . 2.3 mt -88.05 160.46 46.2 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.53 0.782 . . . . 0.0 109.278 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.476 ' HG2' ' CA ' ' A' ' 27' ' ' GLY . 18.4 Cg_endo -74.99 173.72 14.02 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.496 1.788 . . . . 0.0 110.998 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -21.91 15.5 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.537 1.809 . . . . 0.0 111.002 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.406 ' O ' ' O ' ' A' ' 27' ' ' GLY . 38.5 m -108.22 -13.26 14.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.983 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.476 ' CA ' ' HG2' ' A' ' 24' ' ' PRO . . . -40.07 161.89 0.01 OUTLIER Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.577 1.173 . . . . 0.0 111.01 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.9 p -136.79 177.84 7.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 0.747 . . . . 0.0 109.965 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.605 ' CH2' ' NE2' ' A' ' 30' ' ' GLN . 59.8 p-90 -92.94 -41.01 10.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 108.039 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.605 ' NE2' ' CH2' ' A' ' 29' ' ' TRP . 11.8 mm-40 -51.4 -61.6 2.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.281 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.403 ' HB3' ' CZ ' ' A' ' 75' ' ' PHE . 0.3 OUTLIER -58.02 -40.0 79.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.812 HD23 ' C ' ' A' ' 32' ' ' LEU . 0.6 OUTLIER -56.74 -51.02 70.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.643 ' N ' HD23 ' A' ' 32' ' ' LEU . 1.6 ttpt -53.09 -56.16 18.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.274 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -45.17 -25.82 0.4 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.403 ' N ' ' C ' ' A' ' 33' ' ' LYS . 6.5 t60 -87.94 -52.33 5.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.103 . . . . 0.0 109.56 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.716 ' HG3' HG21 ' A' ' 55' ' ' VAL . 28.5 mmm -58.62 -39.57 80.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 111.019 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.493 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 6.1 mtm180 -42.01 -26.02 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.483 ' C ' ' O ' ' A' ' 37' ' ' ARG . 0.4 OUTLIER -31.64 -40.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.277 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 1.008 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . . . -66.3 -80.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -146.31 -130.17 2.11 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.515 1.134 . . . . 0.0 110.952 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -91.85 135.87 33.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 0.786 . . . . 0.0 109.296 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.534 HG11 HG12 ' A' ' 55' ' ' VAL . 3.6 t -107.98 116.33 51.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.564 1.165 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 31.7 t -94.6 -29.03 15.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.549 1.155 . . . . 0.0 108.319 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.724 ' CD1' ' HE2' ' A' ' 54' ' ' MET . 7.3 t80 -117.89 129.51 55.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -146.73 114.77 6.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -145.51 155.22 42.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.554 HG12 ' HB3' ' A' ' 29' ' ' TRP . 7.7 p -136.94 139.1 45.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -110.33 169.94 8.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.34 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.481 ' O ' ' CB ' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -68.97 174.77 4.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.481 ' CB ' ' O ' ' A' ' 49' ' ' LYS . 1.2 t70 80.48 -58.14 0.32 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 147.36 44.69 0.03 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.545 1.153 . . . . 0.0 110.996 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.406 ' O ' HG23 ' A' ' 47' ' ' VAL . 1.1 mtt -111.7 163.53 14.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 0.773 . . . . 0.0 110.971 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -152.61 164.85 30.82 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.521 1.138 . . . . 0.0 111.017 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.724 ' HE2' ' CD1' ' A' ' 44' ' ' TYR . 1.6 ttp -152.7 123.14 7.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 0.769 . . . . 0.0 111.027 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.771 HG23 ' CG2' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -134.39 139.54 47.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 109.338 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.469 ' HG3' ' CE ' ' A' ' 54' ' ' MET . 10.7 mt-10 -112.73 142.54 45.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.275 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.899 ' CE1' ' HB3' ' A' ' 39' ' ' ALA . 45.7 m-85 -114.46 141.24 47.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 110.985 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.551 HD22 ' N ' ' A' ' 58' ' ' LEU . 1.9 mm? -80.53 2.14 26.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.26 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -137.95 132.29 32.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.306 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 30.7 tttt -57.85 -53.44 58.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -49.5 -51.2 37.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.286 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -46.5 -44.44 17.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.466 ' HG2' ' CD1' ' A' ' 67' ' ' LEU . 13.0 ttp -56.91 -63.68 1.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.445 ' HA ' HD12 ' A' ' 67' ' ' LEU . 15.7 mt-10 -54.79 -43.94 73.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.292 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.574 ' CD1' ' HA ' ' A' ' 39' ' ' ALA . 31.5 t80 -50.71 -67.68 0.23 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.127 . . . . 0.0 111.006 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 1.008 ' HB2' ' HB2' ' A' ' 39' ' ' ALA . . . -56.51 -38.08 71.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.724 HD23 HG12 ' A' ' 87' ' ' VAL . 20.6 mt -50.93 -58.57 5.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.567 1.167 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.462 ' O ' ' C ' ' A' ' 69' ' ' LYS . 0.1 OUTLIER -72.35 -66.14 0.69 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 110.285 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.462 ' C ' ' O ' ' A' ' 68' ' ' ARG . 1.7 mptp? -35.49 -61.66 0.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.164 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.854 ' HB2' HG21 ' A' ' 87' ' ' VAL . 21.8 mt -65.48 -62.48 1.5 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.638 ' C ' ' O ' ' A' ' 70' ' ' LEU . 67.3 t0 16.69 76.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.435 ' CB ' ' O ' ' A' ' 71' ' ' ASP . 8.3 t70 77.23 104.49 0.07 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.768 HG23 ' O ' ' A' ' 70' ' ' LEU . 22.7 p -140.88 166.12 25.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.357 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.9 tttt -93.11 99.44 12.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.564 ' CD2' HD23 ' A' ' 23' ' ' LEU . 18.9 t80 -90.63 112.59 24.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.536 1.148 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.579 ' CG ' HG22 ' A' ' 82' ' ' THR . 10.7 ttp180 -97.65 110.14 22.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 110.271 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.7 p -67.64 175.47 2.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.958 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.499 ' CD2' ' HG3' ' A' ' 79' ' ' GLU . 0.7 OUTLIER -72.29 -12.08 60.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 0.0 109.621 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.499 ' HG3' ' CD2' ' A' ' 78' ' ' HIS . 0.6 OUTLIER -85.9 0.8 52.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.374 179.926 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 86.6 -16.49 45.18 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.501 1.125 . . . . 0.0 110.974 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -67.72 144.25 55.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 0.762 . . . . 0.0 110.337 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.579 HG22 ' CG ' ' A' ' 76' ' ' ARG . 65.0 p -126.99 135.38 50.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.433 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 21.1 m -140.27 146.97 39.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.004 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -81.65 111.95 18.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.961 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.608 ' HB ' HG13 ' A' ' 20' ' ' VAL . 13.3 pt -108.62 133.34 53.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.14 153.45 17.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 110.255 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.854 HG21 ' HB2' ' A' ' 70' ' ' LEU . 1.6 t -122.37 119.38 58.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.088 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.541 ' HA ' HD22 ' A' ' 67' ' ' LEU . 40.6 p90 -153.39 154.52 30.72 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 111.024 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.426 ' C ' HD23 ' A' ' 19' ' ' LEU . 18.2 Cg_endo -75.03 174.06 13.45 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.514 1.797 . . . . 0.0 110.985 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.6 ' HB2' HD21 ' A' ' 19' ' ' LEU . 13.2 tt0 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 110.283 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.512 ' CE2' ' HB2' ' A' ' 60' ' ' LYS . 27.2 m-85 . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.46 0.171 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.29 176.96 6.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.317 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.703 ' CG2' HG23 ' A' ' 55' ' ' VAL . 24.1 m -133.13 133.63 58.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.776 HD11 ' HG2' ' A' ' 90' ' ' GLU . 13.2 mt -91.78 120.87 32.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.337 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 54.4 t -101.29 141.71 17.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.401 ' O ' ' HA ' ' A' ' 85' ' ' ILE . 93.1 p -149.08 150.21 32.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.009 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.481 ' O ' HG22 ' A' ' 85' ' ' ILE . . . 84.33 44.93 6.38 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.512 1.132 . . . . 0.0 110.966 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.578 HD23 HG21 ' A' ' 85' ' ' ILE . 9.1 mt -91.31 158.27 41.29 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.508 0.769 . . . . 0.0 109.255 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 173.03 15.22 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.496 1.787 . . . . 0.0 110.959 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -20.95 16.29 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.522 1.801 . . . . 0.0 110.974 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.461 ' CB ' ' HB2' ' A' ' 79' ' ' GLU . 1.5 m -104.56 -11.53 16.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.976 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -50.8 128.47 29.35 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.525 1.14 . . . . 0.0 111.02 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 74.4 m -114.73 -179.03 3.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 0.779 . . . . 0.0 109.989 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.532 ' CZ3' ' HG2' ' A' ' 30' ' ' GLN . 55.2 p-90 -83.3 -39.56 20.64 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.532 ' HG2' ' CZ3' ' A' ' 29' ' ' TRP . 71.6 mt-30 -48.93 -73.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 110.311 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -49.32 -40.94 36.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.344 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.611 HD23 ' C ' ' A' ' 32' ' ' LEU . 5.7 tt -55.81 -55.11 36.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.118 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.474 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 2.1 tttm -53.42 -64.01 0.96 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.098 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -41.17 -28.79 0.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.253 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.422 ' N ' ' O ' ' A' ' 33' ' ' LYS . 6.2 t60 -85.38 -56.79 3.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.619 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.69 ' HG3' HG21 ' A' ' 55' ' ' VAL . 26.2 mmm -54.76 -39.62 68.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.979 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.483 ' O ' ' C ' ' A' ' 38' ' ' GLU . 5.8 mmm180 -43.25 -25.09 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.292 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.483 ' C ' ' O ' ' A' ' 37' ' ' ARG . 1.0 OUTLIER -31.68 -40.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.304 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 1.084 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . . . -66.98 -81.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.307 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -145.84 -136.1 2.89 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.503 1.127 . . . . 0.0 111.042 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -88.34 127.03 35.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 0.764 . . . . 0.0 109.257 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 22.4 t -92.22 111.67 24.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.427 ' HB3' HD21 ' A' ' 58' ' ' LEU . 16.4 p -86.43 -26.07 24.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 108.31 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -129.45 133.72 47.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.984 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -146.18 112.33 5.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -145.22 134.53 22.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.0 p -103.38 152.26 6.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.32 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -118.52 155.36 30.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.281 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.433 ' O ' ' CB ' ' A' ' 50' ' ' ASP . 0.1 OUTLIER -68.66 173.55 5.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.329 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.433 ' CB ' ' O ' ' A' ' 49' ' ' LYS . 8.7 t70 76.85 -56.92 0.54 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.463 ' O ' ' N ' ' A' ' 22' ' ' GLY . . . 153.08 43.98 0.02 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.454 1.096 . . . . 0.0 110.999 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -120.8 158.46 27.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 0.786 . . . . 0.0 111.002 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -145.35 167.44 27.44 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.525 1.14 . . . . 0.0 111.042 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.67 ' HE1' ' HG3' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -152.45 115.83 4.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 0.745 . . . . 0.0 111.023 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.703 HG23 ' CG2' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -130.59 147.99 33.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.67 ' HG3' ' HE1' ' A' ' 54' ' ' MET . 2.6 mt-10 -115.1 167.15 11.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.328 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.728 ' CE1' ' HB3' ' A' ' 39' ' ' ALA . 26.6 m-85 -139.34 147.97 42.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 111.024 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.427 HD21 ' HB3' ' A' ' 43' ' ' CYS . 23.9 mt -90.04 10.21 25.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -143.96 135.56 26.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 110.284 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.512 ' HB2' ' CE2' ' A' ' 16' ' ' PHE . 79.5 tttt -60.27 -55.86 28.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -48.9 -50.89 32.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.287 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -44.34 -46.26 9.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.427 ' HA ' ' CD2' ' A' ' 57' ' ' TYR . 17.7 ttp -55.26 -63.89 1.01 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.434 ' HA ' HD12 ' A' ' 67' ' ' LEU . 16.6 mt-10 -57.16 -43.3 82.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.274 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.564 ' CD1' ' HA ' ' A' ' 39' ' ' ALA . 30.8 t80 -50.16 -66.34 0.41 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 110.999 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 1.084 ' HB2' ' HB2' ' A' ' 39' ' ' ALA . . . -57.34 -38.74 74.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.828 HD23 HG12 ' A' ' 87' ' ' VAL . 20.1 mt -50.3 -58.49 5.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.46 ' O ' ' C ' ' A' ' 69' ' ' LYS . 21.0 mmt85 -72.73 -66.62 0.64 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.097 . . . . 0.0 110.334 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 68' ' ' ARG . 0.2 OUTLIER -35.22 -62.06 0.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.709 ' CD1' ' HB1' ' A' ' 66' ' ' ALA . 22.2 mt -64.15 -59.12 4.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.693 ' C ' ' O ' ' A' ' 70' ' ' LEU . 55.4 t0 10.17 93.45 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 20.0 t70 61.2 110.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.606 HG23 ' O ' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -152.48 157.34 41.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.386 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.5 ttpt -80.88 98.94 8.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -86.91 122.18 30.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 111.028 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.8 ttt-85 -88.28 114.22 24.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 110.336 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 60.4 p -69.81 163.27 26.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.994 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.18 -17.55 62.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.618 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.461 ' HB2' ' CB ' ' A' ' 26' ' ' SER . 3.2 mm-40 -93.56 6.05 49.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.268 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 91.64 -37.93 3.3 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.5 1.125 . . . . 0.0 111.019 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -46.27 132.03 10.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 0.737 . . . . 0.0 110.268 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 32.9 p -109.38 149.86 28.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.44 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 53.3 m -155.33 167.35 30.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.973 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -99.49 126.2 45.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.954 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.578 HG21 HD23 ' A' ' 23' ' ' LEU . 13.6 pt -121.46 133.22 68.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.327 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.82 147.6 23.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.333 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.828 HG12 HD23 ' A' ' 67' ' ' LEU . 1.9 t -120.47 114.23 43.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.343 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.575 ' CE1' ' O ' ' A' ' 19' ' ' LEU . 9.4 p90 -141.75 157.5 64.67 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 175.05 11.74 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.47 1.774 . . . . 0.0 111.02 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.776 ' HG2' HD11 ' A' ' 19' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.284 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.466 0.175 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.443 ' N ' ' SD ' ' A' ' 63' ' ' MET . 1.7 ptt-85 -141.33 174.71 10.29 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.135 . . . . 0.0 110.326 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.831 HG23 HG23 ' A' ' 55' ' ' VAL . 36.0 m -131.38 130.81 63.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.09 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.591 ' HB2' ' CE2' ' A' ' 88' ' ' TYR . 0.9 OUTLIER -93.14 116.14 28.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.665 HG13 ' HB ' ' A' ' 85' ' ' ILE . 57.9 t -96.54 139.03 20.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.0 m -143.63 143.21 31.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.994 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 51' ' ' GLY . . . 96.96 41.78 3.45 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.494 1.121 . . . . 0.0 111.031 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.579 HD23 ' CD2' ' A' ' 75' ' ' PHE . 6.7 mt -89.34 158.33 46.32 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.523 0.778 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 171.6 18.0 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.508 1.794 . . . . 0.0 111.014 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -24.24 12.98 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.456 1.766 . . . . 0.0 110.983 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.3 m -105.3 -4.82 21.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.019 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -60.5 145.84 46.9 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.488 1.117 . . . . 0.0 110.998 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 45.4 m -122.77 -177.5 3.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 0.784 . . . . 0.0 109.969 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.707 ' HB3' HG22 ' A' ' 47' ' ' VAL . 54.7 p-90 -90.54 -35.87 14.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.14 . . . . 0.0 108.034 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.571 ' HG2' ' CZ3' ' A' ' 29' ' ' TRP . 46.3 mt-30 -49.3 -73.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.34 -40.34 34.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.799 HD23 ' C ' ' A' ' 32' ' ' LEU . 0.8 OUTLIER -55.29 -48.91 73.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.535 ' N ' HD23 ' A' ' 32' ' ' LEU . 19.3 ttpt -55.71 -60.98 2.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -42.69 -27.25 0.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.415 ' N ' ' C ' ' A' ' 33' ' ' LYS . 3.6 t-160 -86.37 -57.36 3.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.63 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.738 ' HG3' HG21 ' A' ' 55' ' ' VAL . 28.0 mmm -54.45 -38.95 66.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 111.011 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.485 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 8.3 mmm-85 -42.25 -26.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.312 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.481 ' C ' ' O ' ' A' ' 37' ' ' ARG . 4.5 mm-40 -31.6 -40.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.31 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 1.034 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . . . -64.8 -81.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -146.21 -127.1 1.83 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.515 1.135 . . . . 0.0 110.992 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -97.0 126.16 41.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 0.779 . . . . 0.0 109.268 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.521 HG11 HG12 ' A' ' 55' ' ' VAL . 9.3 t -94.1 114.07 30.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 45.6 t -86.77 -31.02 21.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 108.283 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.549 ' CG ' ' OE2' ' A' ' 56' ' ' GLU . 31.2 t80 -126.29 137.69 53.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 111.0 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -152.03 114.08 4.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.552 1.157 . . . . 0.0 109.319 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -140.21 162.95 34.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.707 HG22 ' HB3' ' A' ' 29' ' ' TRP . 0.9 OUTLIER -134.4 152.54 33.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.259 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -121.89 169.99 10.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 110.314 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.411 ' O ' ' CB ' ' A' ' 50' ' ' ASP . 1.5 tttm -73.55 175.01 7.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.411 ' CB ' ' O ' ' A' ' 49' ' ' LYS . 11.2 t0 75.74 -57.45 0.57 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.336 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 22' ' ' GLY . . . 151.17 44.18 0.02 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.442 1.089 . . . . 0.0 110.97 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -113.11 160.9 17.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 0.756 . . . . 0.0 110.96 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -155.53 167.48 33.04 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.467 1.104 . . . . 0.0 111.021 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.44 ' HE3' ' HD3' ' A' ' 17' ' ' ARG . 2.7 ttp -153.19 129.89 10.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 0.775 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.831 HG23 HG23 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -138.24 133.17 43.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.269 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.549 ' OE2' ' CG ' ' A' ' 44' ' ' TYR . 32.5 mt-10 -105.84 148.35 27.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.3 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.925 ' CE1' ' HB3' ' A' ' 39' ' ' ALA . 41.9 m-85 -119.92 142.11 49.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 111.022 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 21.7 mt -75.96 -17.62 59.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.432 ' HB3' ' NH1' ' A' ' 59' ' ' ARG . 6.1 mmm180 -118.17 139.01 51.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 110.265 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 40.7 tttt -61.29 -54.27 46.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.335 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -47.75 -53.69 14.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.287 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.401 ' O ' ' HB3' ' A' ' 65' ' ' TYR . 78.2 m-20 -40.19 -51.61 2.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.495 ' HA ' ' CD2' ' A' ' 57' ' ' TYR . 11.1 ttp -51.53 -63.78 1.02 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 111.006 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.475 ' HA ' HD12 ' A' ' 67' ' ' LEU . 21.6 mt-10 -56.57 -45.56 81.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.311 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.574 ' CD1' ' HA ' ' A' ' 39' ' ' ALA . 24.3 t80 -50.55 -64.53 0.78 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.977 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 1.034 ' HB2' ' HB2' ' A' ' 39' ' ' ALA . . . -58.49 -37.96 76.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.917 HD23 HG12 ' A' ' 87' ' ' VAL . 18.5 mt -51.54 -57.59 8.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.351 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.453 ' O ' ' C ' ' A' ' 69' ' ' LYS . 20.8 mmt180 -72.5 -66.26 0.68 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 110.303 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 68' ' ' ARG . 2.8 mptp? -35.83 -61.1 0.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.678 ' O ' HG23 ' A' ' 73' ' ' THR . 20.4 mt -65.86 -63.01 1.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.63 ' C ' ' O ' ' A' ' 70' ' ' LEU . 31.8 t70 18.21 87.94 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.578 ' OD1' ' CD2' ' A' ' 84' ' ' TYR . 31.1 t0 68.27 98.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.558 1.162 . . . . 0.0 109.286 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.678 HG23 ' O ' ' A' ' 70' ' ' LEU . 17.9 p -131.59 163.74 27.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 110.436 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.8 tttt -92.98 100.21 12.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.298 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.579 ' CD2' HD23 ' A' ' 23' ' ' LEU . 38.5 t80 -87.1 126.56 34.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.153 . . . . 0.0 110.955 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 31.9 ttp180 -96.44 114.94 26.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.297 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 31.8 p -71.61 157.83 37.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.987 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -58.4 -18.36 27.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.632 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -92.15 2.85 56.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 110.286 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 93.33 -38.36 3.17 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.515 1.134 . . . . 0.0 110.995 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -42.98 128.66 4.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 0.769 . . . . 0.0 110.285 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.9 p -106.95 147.36 29.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.373 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 32.8 m -151.57 158.07 43.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.003 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.578 ' CD2' ' OD1' ' A' ' 72' ' ' ASP . 0.2 OUTLIER -93.46 119.0 32.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.425 1.078 . . . . 0.0 110.966 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.665 ' HB ' HG13 ' A' ' 20' ' ' VAL . 5.3 pt -112.34 129.88 67.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.89 151.0 20.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.301 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.917 HG12 HD23 ' A' ' 67' ' ' LEU . 2.3 t -121.28 121.81 65.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.591 ' CE2' ' HB2' ' A' ' 19' ' ' LEU . 33.7 p90 -151.92 156.99 34.46 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 110.984 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.46 ' C ' HD23 ' A' ' 19' ' ' LEU . 18.2 Cg_endo -75.0 175.05 11.76 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.493 1.786 . . . . 0.0 111.008 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.417 ' CB ' HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 120.497 0.189 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.1 ptp85 -124.01 170.7 10.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.298 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.998 HG23 HG23 ' A' ' 55' ' ' VAL . 18.2 m -133.93 122.11 41.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.832 HD11 ' HG2' ' A' ' 90' ' ' GLU . 10.8 mt -82.11 125.99 31.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 50.5 t -111.14 136.49 47.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.339 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 57.1 p -142.73 152.38 42.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.01 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.544 ' C ' HG22 ' A' ' 85' ' ' ILE . . . 87.9 41.65 6.26 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.561 1.163 . . . . 0.0 110.999 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.484 HD23 ' CD2' ' A' ' 75' ' ' PHE . 5.2 mt -88.98 156.9 49.1 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.486 0.757 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 171.66 17.89 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.512 1.796 . . . . 0.0 110.936 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -17.52 19.45 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.478 1.778 . . . . 0.0 111.0 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 45.6 m -106.72 -14.66 14.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 110.05 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -39.24 148.15 0.13 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.511 1.132 . . . . 0.0 111.015 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.2 m -132.04 172.48 12.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 0.773 . . . . 0.0 110.017 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.581 ' CE3' ' N ' ' A' ' 30' ' ' GLN . 31.6 p-90 -83.34 -39.13 21.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 108.014 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.581 ' N ' ' CE3' ' A' ' 29' ' ' TRP . 0.2 OUTLIER -50.05 -71.08 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.336 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.89 -40.48 60.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 0.0 109.335 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.714 HD23 ' C ' ' A' ' 32' ' ' LEU . 3.0 tt -57.16 -51.97 67.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.518 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 13.4 tttt -54.49 -62.14 1.85 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -47.24 -23.39 0.54 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.42 ' N ' ' C ' ' A' ' 33' ' ' LYS . 5.6 t60 -86.82 -51.53 6.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.6 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.676 ' HG3' HG21 ' A' ' 55' ' ' VAL . 27.0 mmm -63.49 -41.01 98.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.135 . . . . 0.0 110.993 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.518 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 1.5 mmm180 -41.43 -26.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.496 ' C ' ' O ' ' A' ' 37' ' ' ARG . 2.9 mm-40 -30.98 -40.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.277 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 1.004 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . . . -63.99 -82.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -151.0 -133.06 2.0 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.506 1.129 . . . . 0.0 111.04 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.724 ' HB3' HD13 ' A' ' 58' ' ' LEU . 1.3 t70 -84.17 126.06 32.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 0.793 . . . . 0.0 109.299 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.415 HG11 ' HB2' ' A' ' 45' ' ' ALA . 73.1 t -86.3 125.26 40.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 6.3 t -90.23 -21.78 21.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 108.369 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.508 ' CD2' ' HE2' ' A' ' 54' ' ' MET . 76.0 t80 -154.69 145.67 22.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 111.016 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.415 ' HB2' HG11 ' A' ' 42' ' ' VAL . . . -152.39 117.89 5.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.401 ' HB2' ' CE2' ' A' ' 44' ' ' TYR . 1.1 t70 -147.85 160.65 42.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.123 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.5 p -135.6 145.0 32.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 109.312 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -119.25 169.89 9.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 110.285 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.409 ' O ' ' CB ' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -69.71 -177.7 1.31 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.276 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.409 ' CB ' ' O ' ' A' ' 49' ' ' LYS . 8.2 t70 75.51 -57.63 0.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.436 1.085 . . . . 0.0 109.331 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 22' ' ' GLY . . . 142.88 44.61 0.05 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.532 1.145 . . . . 0.0 111.007 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 6.7 mtt -125.92 158.48 35.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.442 0.731 . . . . 0.0 110.958 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -153.07 173.38 31.97 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.552 1.158 . . . . 0.0 110.992 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.508 ' HE2' ' CD2' ' A' ' 44' ' ' TYR . 4.0 ttp -152.08 136.8 17.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 0.78 . . . . 0.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.998 HG23 HG23 ' A' ' 18' ' ' VAL . 0.1 OUTLIER -137.97 142.38 36.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -120.26 139.53 52.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.318 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.505 ' CE1' ' HB3' ' A' ' 39' ' ' ALA . 40.8 m-85 -113.7 167.58 10.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 111.008 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.724 HD13 ' HB3' ' A' ' 41' ' ' ASP . 2.1 mp -94.66 -26.15 16.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.267 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.9 mmm-85 -112.59 140.74 47.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.329 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 65.5 tttt -59.88 -54.44 46.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.342 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -44.37 -54.14 6.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.258 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.408 ' O ' ' HB3' ' A' ' 65' ' ' TYR . 70.5 m-20 -40.48 -51.73 2.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 109.3 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.475 ' HG3' HG13 ' A' ' 18' ' ' VAL . 22.4 ttp -52.9 -65.34 0.58 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 111.035 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -53.84 -46.23 71.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.155 . . . . 0.0 110.289 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.59 ' CD1' ' HA ' ' A' ' 39' ' ' ALA . 25.1 t80 -50.21 -65.7 0.52 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 1.004 ' HB2' ' HB2' ' A' ' 39' ' ' ALA . . . -57.17 -38.71 74.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.85 HD23 HG12 ' A' ' 87' ' ' VAL . 20.5 mt -51.22 -56.79 11.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.465 ' O ' ' C ' ' A' ' 69' ' ' LYS . 2.4 mmt180 -73.1 -67.43 0.57 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.281 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.465 ' C ' ' O ' ' A' ' 68' ' ' ARG . 0.2 OUTLIER -34.92 -60.45 0.45 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.831 ' O ' HG23 ' A' ' 73' ' ' THR . 19.8 mt -66.13 -62.29 1.57 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.657 ' C ' ' O ' ' A' ' 70' ' ' LEU . 22.7 t0 15.89 89.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.453 ' N ' ' OD1' ' A' ' 72' ' ' ASP . 0.2 OUTLIER 65.52 101.17 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.439 1.087 . . . . 0.0 109.329 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.831 HG23 ' O ' ' A' ' 70' ' ' LEU . 6.1 p -133.83 170.59 15.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.424 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.3 tttt -96.34 99.56 11.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.484 ' CD2' HD23 ' A' ' 23' ' ' LEU . 40.8 t80 -88.56 133.32 34.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.988 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 13.2 ttp180 -112.13 115.5 28.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.307 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 92.8 p -67.89 174.28 3.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.005 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.411 ' CD2' ' HG2' ' A' ' 79' ' ' GLU . 0.3 OUTLIER -74.23 -8.56 56.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.616 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.411 ' HG2' ' CD2' ' A' ' 78' ' ' HIS . 7.0 mm-40 -90.69 -5.37 55.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 110.3 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 98.23 -26.61 22.92 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.531 1.145 . . . . 0.0 111.02 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -53.99 156.32 3.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 0.749 . . . . 0.0 110.29 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.7 p -132.51 146.76 52.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 110.354 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 39.1 m -151.92 167.58 27.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 109.988 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -103.39 116.9 33.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.994 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.544 HG22 ' C ' ' A' ' 22' ' ' GLY . 11.6 pt -113.87 133.09 60.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.338 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.419 ' N ' ' HD3' ' A' ' 86' ' ' ARG . 0.0 OUTLIER -90.88 154.3 19.59 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.465 1.103 . . . . 0.0 110.301 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.85 HG12 HD23 ' A' ' 67' ' ' LEU . 1.8 t -123.11 113.55 38.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.133 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.49 ' CE2' ' HB2' ' A' ' 19' ' ' LEU . 8.7 p90 -139.68 157.17 70.53 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.991 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 167.19 27.6 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.506 1.793 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.832 ' HG2' HD11 ' A' ' 19' ' ' LEU . 1.6 tm-20 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.33 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 120.502 0.192 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 11.8 ptp180 -121.9 177.8 5.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 110.259 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.905 HG23 HG23 ' A' ' 55' ' ' VAL . 12.6 m -135.05 122.64 37.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.0 mt -82.25 128.98 34.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.272 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.636 HG13 ' HB ' ' A' ' 85' ' ' ILE . 2.6 t -120.47 145.47 26.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.6 147.44 27.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.017 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 99.57 27.8 7.84 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.501 1.125 . . . . 0.0 111.038 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.482 HD12 ' O ' ' A' ' 51' ' ' GLY . 9.8 mt -70.54 155.95 92.65 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.485 0.756 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.41 ' HG2' ' CA ' ' A' ' 27' ' ' GLY . 18.3 Cg_endo -74.99 172.56 16.11 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.487 1.783 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -14.2 21.3 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.466 1.772 . . . . 0.0 111.009 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.8 m -112.07 -22.67 10.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.989 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.41 ' CA ' ' HG2' ' A' ' 24' ' ' PRO . . . -39.89 148.96 0.15 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.457 1.098 . . . . 0.0 111.053 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 93.3 p -134.82 169.03 17.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 0.771 . . . . 0.0 109.978 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.603 ' HB3' HG23 ' A' ' 47' ' ' VAL . 32.0 p-90 -72.38 -38.1 68.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 108.009 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.549 ' N ' ' CE3' ' A' ' 29' ' ' TRP . 0.0 OUTLIER -54.29 -71.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.292 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.51 -33.61 45.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.742 HD23 ' C ' ' A' ' 32' ' ' LEU . 2.1 tt -61.76 -51.72 67.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.54 1.15 . . . . 0.0 109.261 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.489 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 17.5 ttpt -55.5 -59.98 4.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.263 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -40.36 -29.21 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 109.295 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.435 ' N ' ' O ' ' A' ' 33' ' ' LYS . 3.5 t-160 -85.16 -60.53 2.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.639 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.667 ' HG3' HG21 ' A' ' 55' ' ' VAL . 28.7 mmm -50.98 -37.68 46.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.998 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.489 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 6.9 mmm180 -43.84 -25.14 0.17 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.46 1.1 . . . . 0.0 110.253 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.478 ' C ' ' O ' ' A' ' 37' ' ' ARG . 5.8 mm-40 -31.92 -40.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.302 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 1.071 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . . . -60.38 -72.29 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -156.73 -111.32 0.34 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.499 1.124 . . . . 0.0 110.996 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -114.37 121.74 44.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 0.777 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.581 HG11 HG12 ' A' ' 55' ' ' VAL . 14.2 t -85.58 127.8 39.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.605 ' HB2' HD21 ' A' ' 58' ' ' LEU . 19.2 t -89.66 -34.14 16.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 108.314 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 58.6 t80 -143.84 142.75 31.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -148.13 119.99 8.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.416 1.072 . . . . 0.0 109.297 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -134.96 166.8 22.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.603 HG23 ' HB3' ' A' ' 29' ' ' TRP . 54.8 t -137.34 142.91 35.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -117.65 166.54 12.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.274 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.565 ' O ' ' CB ' ' A' ' 50' ' ' ASP . 48.6 pttt -66.14 165.73 13.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.565 ' CB ' ' O ' ' A' ' 49' ' ' LYS . 4.0 t70 88.12 -34.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.482 ' O ' HD12 ' A' ' 23' ' ' LEU . . . 125.89 5.95 6.14 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.479 1.112 . . . . 0.0 110.985 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.4 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER -74.05 157.72 35.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 0.754 . . . . 0.0 110.999 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -149.05 163.79 29.16 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.515 1.134 . . . . 0.0 111.044 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -148.14 138.11 22.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 0.77 . . . . 0.0 110.988 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.905 HG23 HG23 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -144.26 121.65 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -99.52 116.89 32.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.267 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.766 ' CE1' ' HB3' ' A' ' 39' ' ' ALA . 27.6 m-85 -86.02 176.43 8.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 111.032 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.605 HD21 ' HB2' ' A' ' 43' ' ' CYS . 13.5 mt -101.66 -24.43 14.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.16 . . . . 0.0 109.33 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -121.87 143.59 49.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 69.3 tttt -59.92 -54.64 43.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.273 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.15 -55.31 2.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.266 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.558 ' HB3' ' HB1' ' A' ' 39' ' ' ALA . 49.9 m-20 -43.01 -50.99 5.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.122 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.492 ' HG3' HG13 ' A' ' 18' ' ' VAL . 16.3 ttp -50.31 -65.67 0.52 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.974 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.424 ' HA ' HD12 ' A' ' 67' ' ' LEU . 17.6 mt-10 -56.74 -45.35 82.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.272 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.583 ' CD1' ' HA ' ' A' ' 39' ' ' ALA . 20.0 t80 -50.7 -63.41 1.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.984 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 1.071 ' HB2' ' HB2' ' A' ' 39' ' ' ALA . . . -59.37 -37.39 77.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.94 HD23 HG12 ' A' ' 87' ' ' VAL . 18.9 mt -52.2 -56.21 16.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.448 ' O ' ' C ' ' A' ' 69' ' ' LYS . 22.2 mmt180 -73.18 -66.3 0.7 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 110.315 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 68' ' ' ARG . 1.8 mptm? -36.5 -60.53 0.58 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.86 ' HB2' HG21 ' A' ' 87' ' ' VAL . 18.1 mt -65.98 -62.28 1.58 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.635 ' C ' ' O ' ' A' ' 70' ' ' LEU . 38.7 t70 17.7 79.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 18.9 t0 73.68 104.92 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.739 HG23 ' O ' ' A' ' 70' ' ' LEU . 16.0 p -138.38 169.33 17.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.443 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.2 ttmt -95.98 98.95 10.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -85.81 132.29 34.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 110.982 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.7 ttp180 -108.01 111.56 23.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 110.334 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 85.3 p -64.0 172.12 2.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.976 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -72.89 -13.55 61.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.604 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -92.63 -4.97 52.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 110.273 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 102.66 -34.3 5.85 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.557 1.161 . . . . 0.0 111.037 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -42.83 149.22 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.562 0.801 . . . . 0.0 110.281 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.0 p -128.38 146.46 50.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 110.426 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 35.5 m -152.94 161.06 43.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 110.019 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -100.09 109.89 22.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.963 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.636 ' HB ' HG13 ' A' ' 20' ' ' VAL . 6.7 pt -106.52 130.48 58.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.335 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.7 148.69 22.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.33 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.94 HG12 HD23 ' A' ' 67' ' ' LEU . 2.2 t -114.56 119.3 61.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 109.301 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.431 ' HA ' HD22 ' A' ' 67' ' ' LEU . 13.7 p90 -148.51 157.63 41.41 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.537 1.148 . . . . 0.0 110.982 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 179.74 5.78 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.535 1.808 . . . . 0.0 111.004 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 0.0 110.302 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.497 ' CE2' ' HB2' ' A' ' 60' ' ' LYS . 30.1 m-85 . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.538 0.209 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -132.61 177.96 7.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.871 HG23 HG23 ' A' ' 55' ' ' VAL . 30.1 m -133.32 118.51 31.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.465 ' O ' ' CD1' ' A' ' 88' ' ' TYR . 30.0 mt -82.67 126.43 32.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.57 HG12 HD21 ' A' ' 23' ' ' LEU . 84.3 t -117.23 139.83 42.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 86.9 p -146.78 127.41 14.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.991 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 130.0 -0.95 5.8 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.525 1.14 . . . . 0.0 111.055 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.812 HD13 HG21 ' A' ' 85' ' ' ILE . 3.8 mm? -40.67 155.24 0.2 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.524 0.779 . . . . 0.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.505 ' HG2' ' CA ' ' A' ' 27' ' ' GLY . 18.3 Cg_endo -74.96 174.36 12.9 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.466 1.772 . . . . 0.0 111.029 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -18.08 19.07 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.518 1.799 . . . . 0.0 111.023 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 41.6 m -120.61 9.18 10.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 110.019 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.505 ' CA ' ' HG2' ' A' ' 24' ' ' PRO . . . -53.93 161.53 3.79 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.543 1.152 . . . . 0.0 110.999 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.5 m -143.03 147.17 34.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 0.759 . . . . 0.0 109.953 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.596 ' CE3' ' N ' ' A' ' 30' ' ' GLN . 53.8 p-90 -62.3 -49.08 77.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 108.023 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.596 ' N ' ' CE3' ' A' ' 29' ' ' TRP . 0.0 OUTLIER -42.56 -72.34 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.266 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.07 -47.31 68.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.747 HD12 HD11 ' A' ' 23' ' ' LEU . 3.5 tt -46.99 -53.59 12.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.659 ' HG3' HG11 ' A' ' 42' ' ' VAL . 16.1 ttpt -55.34 -60.19 3.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 33' ' ' LYS . 84.8 m-20 -36.8 -33.16 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.457 ' N ' ' O ' ' A' ' 33' ' ' LYS . 4.4 t60 -80.8 -52.92 6.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.583 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.705 ' HG3' HG21 ' A' ' 55' ' ' VAL . 31.5 mmm -56.49 -40.3 74.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.51 ' HG2' HG21 ' A' ' 42' ' ' VAL . 10.4 mtm180 -40.41 -27.54 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.306 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.49 ' C ' ' O ' ' A' ' 37' ' ' ARG . 4.6 mm-40 -30.92 -40.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.293 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 1.054 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . . . -65.72 -78.93 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -150.95 -132.73 1.97 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.527 1.142 . . . . 0.0 111.011 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -90.19 123.18 33.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 0.79 . . . . 0.0 109.264 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.659 HG11 ' HG3' ' A' ' 33' ' ' LYS . 3.5 t -88.4 124.15 41.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.635 ' HB2' HD21 ' A' ' 58' ' ' LEU . 37.0 t -91.56 -29.02 17.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 108.245 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.564 ' CD1' ' HE2' ' A' ' 54' ' ' MET . 19.4 t80 -138.08 137.34 37.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 111.013 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.431 ' HB1' ' HB2' ' A' ' 33' ' ' LYS . . . -152.43 121.08 6.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.333 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -153.5 171.2 19.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.57 HG12 ' HB3' ' A' ' 29' ' ' TRP . 1.5 p -139.95 141.26 34.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -107.07 157.5 17.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.115 . . . . 0.0 110.305 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.4 ' O ' ' CB ' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -52.63 173.09 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.4 ' CB ' ' O ' ' A' ' 49' ' ' LYS . 0.9 OUTLIER 74.97 -57.04 0.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 109.307 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 148.31 44.01 0.03 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.53 1.144 . . . . 0.0 110.979 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.5 ' O ' HG23 ' A' ' 47' ' ' VAL . 0.4 OUTLIER -106.09 153.27 22.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 0.778 . . . . 0.0 110.995 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -143.44 156.46 26.57 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.526 1.141 . . . . 0.0 110.957 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.564 ' HE2' ' CD1' ' A' ' 44' ' ' TYR . 2.5 ttp -150.43 121.75 7.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 0.749 . . . . 0.0 110.984 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.871 HG23 HG23 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -132.28 137.23 54.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.459 ' HG3' ' CE ' ' A' ' 54' ' ' MET . 3.0 mt-10 -115.41 129.75 56.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.305 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.851 ' CE1' ' HB3' ' A' ' 39' ' ' ALA . 45.0 m-85 -98.78 160.24 14.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.635 HD21 ' HB2' ' A' ' 43' ' ' CYS . 18.3 mt -90.02 -19.62 24.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 21.4 mmt180 -118.68 137.54 53.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.152 . . . . 0.0 110.327 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.497 ' HB2' ' CE2' ' A' ' 16' ' ' PHE . 17.0 tttt -56.97 -53.1 61.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -45.98 -54.66 7.97 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.505 1.128 . . . . 0.0 110.287 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -41.34 -49.05 3.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.423 ' HG3' HG13 ' A' ' 18' ' ' VAL . 12.3 ttp -52.9 -68.63 0.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 111.002 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.432 ' HA ' HD12 ' A' ' 67' ' ' LEU . 13.5 mt-10 -53.93 -44.25 70.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 110.288 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.575 ' CD1' ' HA ' ' A' ' 39' ' ' ALA . 32.6 t80 -50.58 -67.84 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 111.015 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 1.054 ' HB2' ' HB2' ' A' ' 39' ' ' ALA . . . -56.77 -37.63 71.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.924 HD23 HG12 ' A' ' 87' ' ' VAL . 19.7 mt -50.78 -59.99 3.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.453 ' O ' ' C ' ' A' ' 69' ' ' LYS . 9.6 mtt85 -71.91 -65.28 0.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.263 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 68' ' ' ARG . 8.1 mptt -35.78 -61.88 0.45 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.82 ' O ' HG23 ' A' ' 73' ' ' THR . 21.6 mt -65.56 -63.67 1.04 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.088 . . . . 0.0 109.273 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.622 ' C ' ' O ' ' A' ' 70' ' ' LEU . 33.1 t70 20.33 87.48 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 23.2 t0 65.02 104.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.15 . . . . 0.0 109.317 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.82 HG23 ' O ' ' A' ' 70' ' ' LEU . 7.2 p -139.93 169.49 17.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.103 . . . . 0.0 110.381 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 16.7 ttpt -94.1 98.26 10.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.108 . . . . 0.0 109.363 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.531 ' CE1' ' HA ' ' A' ' 32' ' ' LEU . 9.4 t80 -85.96 132.39 34.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 111.002 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.0 ttt180 -109.23 111.11 22.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 99.1 p -68.31 -175.1 0.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.984 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -81.06 -12.63 59.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.632 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -95.87 0.81 52.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 0.0 110.323 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.516 ' O ' HG23 ' A' ' 82' ' ' THR . . . 90.26 -32.17 5.07 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.52 1.137 . . . . 0.0 110.986 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -49.8 115.78 1.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.434 0.726 . . . . 0.0 110.309 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.516 HG23 ' O ' ' A' ' 80' ' ' GLY . 20.5 p -99.52 152.68 19.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.378 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.2 m -154.84 163.0 40.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 110.02 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -96.27 110.39 22.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.812 HG21 HD13 ' A' ' 23' ' ' LEU . 6.7 pt -108.84 129.93 62.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.05 149.92 21.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.286 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.924 HG12 HD23 ' A' ' 67' ' ' LEU . 2.2 t -116.73 119.21 61.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.465 ' CD1' ' O ' ' A' ' 19' ' ' LEU . 24.3 p90 -146.62 158.33 46.57 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -173.69 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.515 1.797 . . . . 0.0 110.99 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 110.315 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.42 ' HA ' ' SD ' ' A' ' 63' ' ' MET . 12.0 m-85 . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.471 0.177 . . . . 0.0 111.008 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.423 ' NH1' ' HG3' ' A' ' 90' ' ' GLU . 0.3 OUTLIER -136.22 177.02 8.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.284 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.804 HG23 HG23 ' A' ' 55' ' ' VAL . 31.5 m -134.96 123.9 41.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 13.0 mt -86.22 120.71 27.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.648 HG12 HD21 ' A' ' 23' ' ' LEU . 84.3 t -107.92 138.39 34.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 83.5 p -148.39 128.61 13.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.983 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.459 ' C ' HG22 ' A' ' 85' ' ' ILE . . . 127.53 1.06 6.64 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.566 1.166 . . . . 0.0 110.989 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.674 HD11 HD12 ' A' ' 32' ' ' LEU . 3.9 mm? -41.03 154.3 0.22 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.471 0.748 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.5 ' HG2' ' CA ' ' A' ' 27' ' ' GLY . 18.4 Cg_endo -74.98 174.92 11.95 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.487 1.783 . . . . 0.0 111.046 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -19.11 18.27 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.468 1.773 . . . . 0.0 111.037 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.0 m -120.77 12.07 11.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.009 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.5 ' CA ' ' HG2' ' A' ' 24' ' ' PRO . . . -57.4 162.98 7.7 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.535 1.147 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.2 m -143.1 149.07 37.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 0.767 . . . . 0.0 109.981 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.629 ' HB3' HG12 ' A' ' 47' ' ' VAL . 48.0 p-90 -65.41 -40.97 94.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 107.992 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.569 ' HG3' ' CZ3' ' A' ' 29' ' ' TRP . 2.3 tt0 -50.02 -68.75 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.288 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.419 ' HB3' ' CE1' ' A' ' 75' ' ' PHE . 0.8 OUTLIER -55.31 -44.1 75.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.792 HD23 ' C ' ' A' ' 32' ' ' LEU . 1.3 tt -50.65 -49.47 56.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.472 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 9.6 tttt -57.77 -60.47 3.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 0.0 109.249 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -40.34 -29.37 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.432 ' N ' ' O ' ' A' ' 33' ' ' LYS . 6.7 t60 -82.75 -64.63 1.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.63 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.651 ' HG3' HG21 ' A' ' 55' ' ' VAL . 29.9 mmm -46.67 -39.37 11.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 111.035 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.485 ' O ' ' C ' ' A' ' 38' ' ' GLU . 4.8 mmm180 -43.76 -24.88 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 110.33 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.485 ' C ' ' O ' ' A' ' 37' ' ' ARG . 0.4 OUTLIER -31.77 -40.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.285 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 1.071 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . . . -64.55 -78.42 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.108 . . . . 0.0 109.338 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -149.13 -124.75 1.36 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.551 1.157 . . . . 0.0 110.999 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -98.96 124.43 43.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 0.759 . . . . 0.0 109.289 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.472 HG11 HG12 ' A' ' 55' ' ' VAL . 21.4 t -92.43 121.43 43.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 0.0 109.261 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.447 ' HB2' HD21 ' A' ' 58' ' ' LEU . 42.9 t -88.67 -29.32 19.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 108.298 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.716 ' CD1' ' HE2' ' A' ' 54' ' ' MET . 12.1 t80 -133.65 134.38 43.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.986 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -152.23 126.77 9.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.454 ' HA ' ' CB ' ' A' ' 29' ' ' TRP . 0.4 OUTLIER -159.15 173.27 16.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.629 HG12 ' HB3' ' A' ' 29' ' ' TRP . 2.3 p -141.6 139.32 31.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -105.46 162.68 13.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.328 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.37 174.02 0.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.8 t70 74.05 -57.63 0.61 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.417 1.073 . . . . 0.0 109.306 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 148.6 44.7 0.03 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.462 1.101 . . . . 0.0 110.977 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.446 ' O ' HG23 ' A' ' 47' ' ' VAL . 2.9 mtp -111.12 164.01 13.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 0.764 . . . . 0.0 111.0 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -158.41 166.74 34.35 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.553 1.158 . . . . 0.0 110.954 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.716 ' HE2' ' CD1' ' A' ' 44' ' ' TYR . 2.3 ttp -154.79 121.58 5.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 0.786 . . . . 0.0 110.974 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.804 HG23 HG23 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -129.09 135.07 62.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.272 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.408 ' HG2' ' CB ' ' A' ' 17' ' ' ARG . 2.7 mt-10 -113.0 127.58 56.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.246 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.863 ' CE1' ' HB3' ' A' ' 39' ' ' ALA . 37.3 m-85 -96.56 153.82 17.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 111.023 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.447 HD21 ' HB2' ' A' ' 43' ' ' CYS . 19.2 mt -84.97 -27.5 26.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -110.08 138.82 45.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 110.304 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 48.3 tttt -58.58 -55.86 29.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.06 -54.3 5.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.299 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -42.15 -48.7 4.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.449 ' HA ' ' CD2' ' A' ' 57' ' ' TYR . 16.8 ttp -52.6 -67.35 0.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -55.27 -44.29 75.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.269 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.578 ' CD1' ' HA ' ' A' ' 39' ' ' ALA . 29.4 t80 -50.54 -66.96 0.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.998 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 1.071 ' HB2' ' HB2' ' A' ' 39' ' ' ALA . . . -57.27 -38.05 73.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.901 HD23 HG12 ' A' ' 87' ' ' VAL . 19.0 mt -50.85 -59.07 4.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.257 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.46 ' O ' ' C ' ' A' ' 69' ' ' LYS . 26.6 mmt180 -72.24 -65.95 0.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.31 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 68' ' ' ARG . 3.0 mptp? -35.5 -61.76 0.44 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.544 1.153 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.796 ' O ' HG23 ' A' ' 73' ' ' THR . 22.0 mt -65.45 -62.66 1.4 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.641 ' C ' ' O ' ' A' ' 70' ' ' LEU . 31.1 t70 17.09 81.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 12.6 t0 73.32 103.24 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.796 HG23 ' O ' ' A' ' 70' ' ' LEU . 18.1 p -140.17 167.79 21.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 110.355 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.9 ttpt -95.64 99.02 10.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.435 1.084 . . . . 0.0 109.276 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.522 ' CE1' ' HA ' ' A' ' 32' ' ' LEU . 11.9 t80 -87.27 119.94 28.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 111.013 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 50.2 ttt180 -96.57 109.71 22.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.31 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 96.4 p -65.74 -173.1 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.592 1.183 . . . . 0.0 110.008 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.528 ' CD2' ' HG2' ' A' ' 79' ' ' GLU . 0.2 OUTLIER -81.76 -10.71 59.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.588 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.528 ' HG2' ' CD2' ' A' ' 78' ' ' HIS . 3.9 mm-40 -96.76 3.04 52.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.112 . . . . 0.0 110.312 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.434 ' O ' HG23 ' A' ' 82' ' ' THR . . . 89.57 -33.26 4.43 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.509 1.131 . . . . 0.0 111.018 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -50.52 132.32 25.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 0.788 . . . . 0.0 110.33 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.434 HG23 ' O ' ' A' ' 80' ' ' GLY . 65.8 p -118.63 153.55 34.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.132 . . . . 0.0 110.384 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.1 m -152.67 160.83 43.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.012 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -90.98 106.1 18.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.104 . . . . 0.0 111.014 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.511 HG21 HD13 ' A' ' 23' ' ' LEU . 3.3 pt -105.84 129.52 58.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.77 155.76 18.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.337 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.901 HG12 HD23 ' A' ' 67' ' ' LEU . 2.3 t -122.86 119.47 58.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.346 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 23.9 p90 -148.73 156.74 41.45 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 110.975 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 177.3 8.79 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.55 1.816 . . . . 0.0 111.027 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.423 ' HG3' ' NH1' ' A' ' 17' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.313 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.556 0.217 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.515 HH22 ' N ' ' A' ' 90' ' ' GLU . 0.0 OUTLIER -135.15 179.25 6.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 110.311 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.697 ' CG2' HG23 ' A' ' 55' ' ' VAL . 14.6 m -134.08 148.87 30.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.544 1.153 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.7 mt -99.95 120.9 40.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.421 HG13 ' HB ' ' A' ' 85' ' ' ILE . 76.7 t -105.58 134.67 46.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.42 ' O ' ' HA ' ' A' ' 85' ' ' ILE . 11.2 p -140.89 152.69 45.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.019 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.468 ' C ' HG22 ' A' ' 85' ' ' ILE . . . 82.61 45.82 6.67 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.455 1.097 . . . . 0.0 110.957 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.518 ' HG ' HG21 ' A' ' 85' ' ' ILE . 3.8 mt -91.39 158.47 40.84 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.538 0.787 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 171.76 17.69 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.446 1.761 . . . . 0.0 111.025 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -23.63 13.59 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.526 1.803 . . . . 0.0 111.031 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.1 m -102.39 -3.8 26.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.036 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -56.39 147.06 32.44 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.524 1.14 . . . . 0.0 110.997 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 m -131.81 -178.22 4.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 0.786 . . . . 0.0 110.037 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.518 ' CE3' ' N ' ' A' ' 30' ' ' GLN . 41.9 p-90 -88.06 -39.4 14.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 107.965 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.518 ' N ' ' CE3' ' A' ' 29' ' ' TRP . 0.3 OUTLIER -50.77 -70.63 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.282 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.2 -38.15 62.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.636 HD23 ' C ' ' A' ' 32' ' ' LEU . 4.8 tt -56.37 -55.27 35.55 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.514 1.133 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.487 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 11.2 ttpt -53.86 -59.46 4.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -41.91 -27.96 0.14 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.429 ' N ' ' C ' ' A' ' 33' ' ' LYS . 6.1 t60 -87.65 -55.46 3.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.566 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.663 ' HG3' HG21 ' A' ' 55' ' ' VAL . 28.8 mmm -55.73 -36.83 67.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.998 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.487 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 5.1 mmm180 -43.87 -24.7 0.15 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.324 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.476 ' C ' ' O ' ' A' ' 37' ' ' ARG . 4.5 mm-40 -31.93 -40.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 110.276 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 1.014 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . . . -62.5 -76.36 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -150.51 -120.14 0.95 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.469 1.105 . . . . 0.0 111.0 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -108.61 122.45 47.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 0.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.66 HG11 HG12 ' A' ' 55' ' ' VAL . 6.0 t -85.84 133.2 30.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.59 ' HB2' HD21 ' A' ' 58' ' ' LEU . 37.7 t -93.37 -32.84 14.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 108.31 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.506 ' CZ ' ' HB2' ' A' ' 46' ' ' ASP . 70.6 t80 -144.14 151.22 39.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 111.007 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -152.21 122.55 7.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.334 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.506 ' HB2' ' CZ ' ' A' ' 44' ' ' TYR . 27.3 t0 -133.85 160.22 38.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.258 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 5.7 p -140.82 140.3 33.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -115.4 170.13 8.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.312 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.437 ' O ' ' CB ' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -69.25 179.07 2.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.437 ' CB ' ' O ' ' A' ' 49' ' ' LYS . 1.1 t70 78.04 -58.37 0.46 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.26 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 22' ' ' GLY . . . 146.74 44.58 0.04 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.497 1.123 . . . . 0.0 110.954 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -117.68 153.94 32.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 0.754 . . . . 0.0 110.996 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -144.96 168.92 26.84 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.473 1.108 . . . . 0.0 111.064 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -154.86 130.39 9.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 0.765 . . . . 0.0 110.989 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.697 HG23 ' CG2' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -135.02 131.93 53.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.466 ' CG ' ' HB3' ' A' ' 17' ' ' ARG . 0.9 OUTLIER -105.69 114.72 29.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.307 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.789 ' CE1' ' HB3' ' A' ' 39' ' ' ALA . 27.4 m-85 -85.47 169.86 13.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 111.004 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.59 HD21 ' HB2' ' A' ' 43' ' ' CYS . 33.1 mt -109.11 12.2 25.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 109.33 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 24.0 mmt180 -149.39 136.44 19.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.32 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 61.1 tttt -62.07 -57.19 12.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.362 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.85 -50.89 17.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.294 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -50.66 -45.65 58.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.451 ' HA ' ' CD2' ' A' ' 57' ' ' TYR . 9.6 ttp -52.02 -55.49 20.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 111.042 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.43 ' HA ' HD12 ' A' ' 67' ' ' LEU . 21.7 mt-10 -65.52 -43.82 88.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 110.298 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.572 ' CD1' ' HA ' ' A' ' 39' ' ' ALA . 13.6 t80 -49.09 -59.19 3.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.99 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 1.014 ' HB2' ' HB2' ' A' ' 39' ' ' ALA . . . -61.0 -39.12 88.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.785 HD23 HG12 ' A' ' 87' ' ' VAL . 19.2 mt -51.76 -55.62 18.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 109.349 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.457 ' O ' ' C ' ' A' ' 69' ' ' LYS . 0.3 OUTLIER -72.65 -67.48 0.55 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 110.266 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.457 ' C ' ' O ' ' A' ' 68' ' ' ARG . 14.5 mptt -35.99 -61.56 0.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.795 ' HB2' HG21 ' A' ' 87' ' ' VAL . 22.9 mt -64.54 -62.29 1.68 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.237 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.644 ' C ' ' O ' ' A' ' 70' ' ' LEU . 62.5 t0 17.14 71.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.475 ' CB ' ' O ' ' A' ' 71' ' ' ASP . 8.3 t0 81.24 108.59 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.093 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.634 HG23 ' O ' ' A' ' 70' ' ' LEU . 29.1 p -141.82 173.73 11.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.426 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.2 ttmt -96.38 103.81 15.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.324 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.468 ' CD2' HD23 ' A' ' 23' ' ' LEU . 35.1 t80 -94.17 120.82 34.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 111.01 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 39.6 ttt-85 -98.58 115.16 28.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.296 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 32.5 p -68.6 169.77 10.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.992 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -69.54 -14.47 62.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 109.635 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -91.91 4.69 52.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 110.279 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 89.95 -27.38 8.26 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.489 1.118 . . . . 0.0 110.977 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -54.79 136.89 45.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 0.756 . . . . 0.0 110.29 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 24.5 p -116.24 148.74 40.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.413 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 17.0 m -150.45 164.87 34.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.044 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -103.32 111.2 23.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 111.042 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.518 HG21 ' HG ' ' A' ' 23' ' ' LEU . 3.7 pt -108.61 130.09 61.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 109.316 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.2 mmm-85 -90.95 145.01 25.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.277 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.795 HG21 ' HB2' ' A' ' 70' ' ' LEU . 2.1 t -111.13 115.05 48.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.549 1.155 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 19.4 p90 -144.02 161.66 44.4 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.98 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.408 ' HA ' ' NH2' ' A' ' 17' ' ' ARG . 18.3 Cg_endo -75.0 -166.81 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.518 1.799 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.515 ' N ' HH22 ' A' ' 17' ' ' ARG . 28.2 tt0 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 110.274 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.559 ' CZ ' ' HB2' ' A' ' 60' ' ' LYS . 47.1 m-85 . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 120.499 0.19 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.5 ptp85 -136.69 163.33 30.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.314 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.703 ' CG2' HG23 ' A' ' 55' ' ' VAL . 27.5 m -120.72 125.76 74.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.335 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.548 HD11 ' HG2' ' A' ' 90' ' ' GLU . 8.3 mt -81.98 118.88 23.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.553 1.158 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.422 ' O ' ' N ' ' A' ' 53' ' ' GLY . 19.8 t -107.12 134.83 47.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.346 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 89.2 p -141.42 145.27 35.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.028 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.526 ' C ' HG22 ' A' ' 85' ' ' ILE . . . 97.31 29.84 7.69 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.521 1.138 . . . . 0.0 111.022 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.3 mt -77.65 157.65 79.45 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.515 0.773 . . . . 0.0 109.306 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 173.18 14.96 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.526 1.803 . . . . 0.0 110.968 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -19.39 17.86 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.471 1.774 . . . . 0.0 110.977 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 12.8 t -107.32 -12.29 15.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.995 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -47.63 123.61 8.93 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.492 1.12 . . . . 0.0 111.033 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.9 m -111.21 161.39 16.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 0.734 . . . . 0.0 109.983 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.597 ' CE3' ' N ' ' A' ' 30' ' ' GLN . 42.4 p-90 -66.69 -43.86 83.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 108.02 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.597 ' N ' ' CE3' ' A' ' 29' ' ' TRP . 0.0 OUTLIER -44.34 -74.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 110.271 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -49.83 -45.86 50.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.595 HD23 ' C ' ' A' ' 32' ' ' LEU . 5.9 tt -49.43 -56.32 10.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.487 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 13.0 ttpt -51.44 -61.05 2.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.581 1.176 . . . . 0.0 109.35 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -41.12 -29.02 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.271 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.422 ' N ' ' C ' ' A' ' 33' ' ' LYS . 5.9 t60 -85.83 -58.45 2.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.577 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.636 ' HG3' HG21 ' A' ' 55' ' ' VAL . 27.8 mmm -52.75 -39.7 62.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 111.004 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.487 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 0.3 OUTLIER -41.1 -26.78 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.33 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.478 ' C ' ' O ' ' A' ' 37' ' ' ARG . 3.7 mm-40 -31.69 -40.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.324 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 1.066 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . . . -60.91 -75.97 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -153.44 -108.18 0.33 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.457 1.098 . . . . 0.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -114.68 130.44 56.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 0.794 . . . . 0.0 109.32 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.464 HG11 HG12 ' A' ' 55' ' ' VAL . 4.0 t -97.95 121.75 48.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 109.356 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.644 ' HB3' HD21 ' A' ' 58' ' ' LEU . 17.7 p -88.08 -32.39 18.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 108.323 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -138.45 144.39 40.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 111.028 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -150.79 112.95 4.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -132.7 163.75 28.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.473 ' CG2' HD13 ' A' ' 32' ' ' LEU . 25.7 t -141.98 145.55 23.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -114.9 170.2 8.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.333 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.63 -178.77 0.58 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.3 t0 72.82 -58.81 0.59 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.354 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' A' ' 22' ' ' GLY . . . 148.06 43.51 0.03 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.468 1.105 . . . . 0.0 111.034 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.439 ' O ' HG13 ' A' ' 47' ' ' VAL . 6.3 mtt -108.89 159.0 17.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 0.778 . . . . 0.0 111.0 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -148.63 161.07 28.58 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.487 1.117 . . . . 0.0 110.986 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -152.38 120.03 6.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 0.73 . . . . 0.0 110.978 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.703 HG23 ' CG2' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -129.43 140.71 48.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.117 . . . . 0.0 109.29 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -111.45 140.4 46.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 110.282 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.841 ' CE1' ' HB3' ' A' ' 39' ' ' ALA . 37.4 m-85 -113.18 149.91 32.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 110.994 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.644 HD21 ' HB3' ' A' ' 43' ' ' CYS . 1.8 mm? -86.6 3.82 42.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.348 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.0 mtp180 -139.16 127.94 23.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.325 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.559 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 76.8 tttt -58.04 -52.38 65.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -53.46 -46.92 70.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.148 . . . . 0.0 110.27 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -53.67 -34.79 59.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.512 ' SD ' HD11 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -61.06 -55.62 30.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 110.978 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.605 ' HA ' HD12 ' A' ' 67' ' ' LEU . 20.0 mt-10 -63.12 -39.11 93.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.354 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.603 ' CD1' ' HA ' ' A' ' 39' ' ' ALA . 24.7 t80 -50.81 -65.15 0.61 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.138 . . . . 0.0 110.971 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 1.066 ' HB2' ' HB2' ' A' ' 39' ' ' ALA . . . -57.03 -38.27 72.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.344 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.753 HD23 HG12 ' A' ' 87' ' ' VAL . 24.3 mt -51.49 -58.59 5.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.446 ' O ' ' C ' ' A' ' 69' ' ' LYS . 14.8 mmt85 -71.08 -66.23 0.64 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.288 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.455 ' HD3' ' CD2' ' A' ' 65' ' ' TYR . 0.1 OUTLIER -36.58 -63.27 0.41 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.333 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.84 ' O ' HG23 ' A' ' 73' ' ' THR . 25.1 mt -62.77 -63.52 1.19 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.27 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.634 ' C ' ' O ' ' A' ' 70' ' ' LEU . 39.1 t0 18.21 92.0 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.421 ' HB3' ' O ' ' A' ' 71' ' ' ASP . 20.8 t70 62.58 100.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.84 HG23 ' O ' ' A' ' 70' ' ' LEU . 5.0 p -133.37 174.14 10.72 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.535 1.147 . . . . 0.0 110.367 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.6 ttmt -102.32 99.18 9.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.418 ' CE1' ' HA ' ' A' ' 32' ' ' LEU . 40.4 t80 -91.29 129.43 37.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.135 . . . . 0.0 111.0 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.422 ' HA ' ' O ' ' A' ' 81' ' ' GLU . 4.2 ttp180 -112.09 121.54 45.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.301 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 52.2 p -78.01 179.32 6.86 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 110.04 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.407 ' CD2' ' C ' ' A' ' 78' ' ' HIS . 1.7 p-80 -74.86 -3.26 30.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.449 1.093 . . . . 0.0 109.563 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -99.45 16.65 22.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.316 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 64.74 9.31 38.35 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.454 1.096 . . . . 0.0 111.012 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.427 ' HG3' ' N ' ' A' ' 82' ' ' THR . 2.7 tt0 -86.17 137.12 32.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 0.776 . . . . 0.0 110.281 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.427 ' N ' ' HG3' ' A' ' 81' ' ' GLU . 11.7 p -118.61 147.63 43.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.356 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.3 p -158.89 148.6 19.13 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 109.976 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -83.22 118.53 23.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.442 1.089 . . . . 0.0 110.967 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.526 HG22 ' C ' ' A' ' 22' ' ' GLY . 7.5 pt -116.58 131.08 70.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.256 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.19 152.82 20.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.26 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.753 HG12 HD23 ' A' ' 67' ' ' LEU . 2.1 t -121.72 114.77 44.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.533 ' CE1' ' O ' ' A' ' 19' ' ' LEU . 9.1 p90 -142.24 157.62 62.89 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 111.048 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 179.66 5.87 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.514 1.797 . . . . 0.0 110.983 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.548 ' HG2' HD11 ' A' ' 19' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.295 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.566 ' CE1' ' HB2' ' A' ' 60' ' ' LYS . 7.8 m-85 . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.547 0.213 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.583 ' CG ' ' HG2' ' A' ' 56' ' ' GLU . 21.6 mtt85 -98.96 166.62 11.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.313 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.966 HG23 HG23 ' A' ' 55' ' ' VAL . 9.4 m -136.69 117.57 18.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.471 ' HB2' ' CD2' ' A' ' 88' ' ' TYR . 10.7 mt -82.34 132.79 35.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.26 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.47 HG11 HD12 ' A' ' 85' ' ' ILE . 43.6 t -126.3 133.8 67.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.9 m -136.09 154.69 50.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 110.03 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.494 ' C ' HG22 ' A' ' 85' ' ' ILE . . . 92.69 34.89 6.69 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.525 1.141 . . . . 0.0 110.976 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.511 ' HG ' HG21 ' A' ' 85' ' ' ILE . 1.2 mt -87.14 157.77 53.43 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.521 0.777 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 170.45 20.4 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.493 1.786 . . . . 0.0 111.005 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -19.01 18.28 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.477 1.777 . . . . 0.0 110.998 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.2 m -104.59 -3.3 24.0 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 109.999 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -55.54 148.01 27.15 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.462 1.101 . . . . 0.0 111.026 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.6 m -128.01 178.55 6.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 0.772 . . . . 0.0 109.982 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.518 ' CZ3' ' HG3' ' A' ' 30' ' ' GLN . 63.4 p-90 -87.62 -45.89 10.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.13 . . . . 0.0 107.997 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.518 ' HG3' ' CZ3' ' A' ' 29' ' ' TRP . 27.8 mt-30 -47.53 -65.63 0.53 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 110.3 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -55.13 -39.86 69.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.81 HD23 ' C ' ' A' ' 32' ' ' LEU . 0.8 OUTLIER -57.68 -48.53 79.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.523 ' N ' HD23 ' A' ' 32' ' ' LEU . 10.2 ttpt -57.43 -57.02 14.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -44.89 -25.42 0.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.426 ' N ' ' C ' ' A' ' 33' ' ' LYS . 5.7 t60 -88.05 -51.03 6.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.611 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.772 ' HG3' HG21 ' A' ' 55' ' ' VAL . 26.7 mmm -60.54 -41.08 93.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 111.022 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.492 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 6.3 mtm180 -41.12 -26.99 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.287 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.482 ' C ' ' O ' ' A' ' 37' ' ' ARG . 0.4 OUTLIER -31.39 -40.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 110.311 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 1.002 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . . . -64.43 -81.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -143.35 -120.34 1.49 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.454 1.096 . . . . 0.0 111.023 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -103.75 139.96 38.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 0.768 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.533 HG11 HG12 ' A' ' 55' ' ' VAL . 3.5 t -111.2 127.07 68.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 0.0 109.303 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 41.1 t -99.51 -27.54 13.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.436 1.085 . . . . 0.0 108.293 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.553 ' CG ' ' OE2' ' A' ' 56' ' ' GLU . 50.6 t80 -130.75 142.96 50.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -152.63 115.21 4.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.327 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -133.82 162.58 31.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 109.328 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.1 p -141.16 138.46 33.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.259 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -109.05 160.04 16.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 110.321 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.26 -178.97 0.4 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.8 t0 73.86 -58.71 0.58 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.437 ' O ' ' N ' ' A' ' 22' ' ' GLY . . . 152.44 43.92 0.02 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.499 1.124 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -110.31 159.33 17.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 0.78 . . . . 0.0 111.007 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -151.89 158.99 28.08 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.475 1.109 . . . . 0.0 111.024 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.489 ' HE3' ' HD3' ' A' ' 17' ' ' ARG . 2.1 ttp -149.95 148.41 29.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 0.749 . . . . 0.0 111.02 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.966 HG23 HG23 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -153.87 156.56 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.256 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.583 ' HG2' ' CG ' ' A' ' 17' ' ' ARG . 47.2 mt-10 -122.82 142.35 50.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.324 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.588 ' CE1' ' HB3' ' A' ' 39' ' ' ALA . 15.8 m-85 -118.04 145.03 45.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 111.011 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -88.3 10.34 20.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 7.0 mmt180 -147.73 131.89 17.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.342 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.566 ' HB2' ' CE1' ' A' ' 16' ' ' PHE . 31.8 tttt -60.89 -58.32 8.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -48.6 -56.04 9.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.324 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.782 ' O ' ' HB1' ' A' ' 39' ' ' ALA . 75.2 m-20 -47.07 -29.48 2.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.555 ' HA ' ' CD2' ' A' ' 57' ' ' TYR . 0.0 OUTLIER -67.52 -68.55 0.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.983 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.487 ' HA ' HD12 ' A' ' 67' ' ' LEU . 25.0 mt-10 -46.68 -40.46 13.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.281 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.588 ' CD1' ' HA ' ' A' ' 39' ' ' ALA . 26.3 t80 -49.91 -64.57 0.77 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 111.032 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 1.002 ' HB2' ' HB2' ' A' ' 39' ' ' ALA . . . -57.48 -40.04 77.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.866 HD23 HG12 ' A' ' 87' ' ' VAL . 28.1 mt -50.12 -57.79 6.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.289 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.474 ' O ' ' C ' ' A' ' 69' ' ' LYS . 6.9 mmp_? -72.49 -67.9 0.52 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 110.304 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.474 ' C ' ' O ' ' A' ' 68' ' ' ARG . 10.1 mptt -34.48 -61.78 0.37 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.721 ' O ' HG23 ' A' ' 73' ' ' THR . 21.8 mt -63.79 -59.59 4.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.691 ' C ' ' O ' ' A' ' 70' ' ' LEU . 46.4 t0 9.45 77.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.5 ' CB ' ' O ' ' A' ' 71' ' ' ASP . 5.9 t0 81.76 102.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.721 HG23 ' O ' ' A' ' 70' ' ' LEU . 21.1 p -135.97 172.56 12.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.43 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 16.7 tttt -100.68 100.04 10.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.505 ' CD2' HD23 ' A' ' 23' ' ' LEU . 42.1 t80 -88.81 139.96 29.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.988 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -110.92 111.79 23.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 110.297 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.7 p -63.83 162.03 14.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.133 . . . . 0.0 110.003 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.411 ' CD2' ' HG2' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -65.93 -13.17 59.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.579 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.411 ' HG2' ' CD2' ' A' ' 78' ' ' HIS . 4.8 mm-40 -93.21 -6.16 48.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 110.313 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 102.12 -30.51 10.23 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.488 1.118 . . . . 0.0 110.995 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -51.35 133.97 28.62 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.47 0.747 . . . . 0.0 110.276 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.1 p -110.6 149.95 29.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 110.391 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 49.7 m -158.89 154.48 26.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 110.024 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -89.36 119.86 30.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.511 HG21 ' HG ' ' A' ' 23' ' ' LEU . 7.2 pt -114.48 131.69 65.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.262 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.406 ' O ' ' HA ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER -91.22 151.99 20.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 110.253 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.866 HG12 HD23 ' A' ' 67' ' ' LEU . 3.3 t -118.95 121.09 65.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.356 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.471 ' CD2' ' HB2' ' A' ' 19' ' ' LEU . 10.8 p90 -146.31 158.23 47.87 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 111.035 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 177.88 8.0 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.457 1.767 . . . . 0.0 111.003 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 110.28 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.534 0.207 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 30.2 ptt-85 -137.08 164.0 29.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 0.0 110.306 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.712 ' CG2' HG23 ' A' ' 55' ' ' VAL . 27.2 m -122.74 135.5 62.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.602 ' O ' ' CE1' ' A' ' 88' ' ' TYR . 0.9 OUTLIER -94.41 114.35 26.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.316 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.436 HG13 ' HB ' ' A' ' 85' ' ' ILE . 93.2 t -94.81 133.99 33.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 9.6 p -138.78 141.9 38.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 110.019 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 51' ' ' GLY . . . 96.83 34.84 5.57 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.47 1.106 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.444 HD23 ' CD2' ' A' ' 75' ' ' PHE . 5.5 mt -82.07 156.74 69.33 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.479 0.752 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 171.61 17.96 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.436 1.756 . . . . 0.0 110.996 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -17.83 19.16 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.462 1.77 . . . . 0.0 111.012 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.6 t -106.86 -20.74 13.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.157 . . . . 0.0 110.011 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -38.08 142.42 0.32 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.459 1.099 . . . . 0.0 110.974 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -126.69 171.15 11.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 0.736 . . . . 0.0 109.992 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.631 ' CE3' ' N ' ' A' ' 30' ' ' GLN . 48.8 p-90 -76.91 -48.52 18.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 108.008 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.631 ' N ' ' CE3' ' A' ' 29' ' ' TRP . 5.2 tm0? -45.03 -61.29 1.69 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.306 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -57.14 -44.84 83.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.268 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.688 HD23 ' C ' ' A' ' 32' ' ' LEU . 2.1 tt -54.6 -52.61 61.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.264 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.494 ' N ' HD23 ' A' ' 32' ' ' LEU . 9.9 tttt -52.29 -63.63 1.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 109.261 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -41.06 -28.92 0.1 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.464 1.103 . . . . 0.0 109.32 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.429 ' N ' ' C ' ' A' ' 33' ' ' LYS . 6.4 t60 -85.88 -54.33 4.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.626 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.712 ' HG3' HG21 ' A' ' 55' ' ' VAL . 27.6 mmm -56.56 -40.83 75.82 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.561 1.163 . . . . 0.0 110.96 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.461 ' O ' ' C ' ' A' ' 38' ' ' GLU . 5.8 mmm-85 -40.15 -27.85 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.287 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 37' ' ' ARG . 3.7 mm-40 -33.1 -39.53 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.289 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 1.064 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . . . -61.96 -74.19 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -158.99 -114.98 0.4 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -101.93 131.06 48.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 0.793 . . . . 0.0 109.328 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.408 ' HB ' ' CE ' ' A' ' 33' ' ' LYS . 3.3 t -108.09 123.12 63.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.155 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 18.7 t -102.49 -29.14 11.78 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.501 1.126 . . . . 0.0 108.329 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.543 ' O ' HG12 ' A' ' 55' ' ' VAL . 14.3 t80 -119.02 134.57 55.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 110.96 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -152.46 112.44 4.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.325 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -142.47 150.17 40.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.56 ' CG2' HD13 ' A' ' 32' ' ' LEU . 75.3 t -141.05 140.82 32.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -118.57 170.1 9.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.151 . . . . 0.0 110.32 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.3 -171.55 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 72.76 -59.37 0.57 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 22' ' ' GLY . . . 140.99 44.26 0.06 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.532 1.145 . . . . 0.0 110.97 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -122.35 140.36 52.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 0.79 . . . . 0.0 111.003 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -132.52 165.63 23.68 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.509 1.13 . . . . 0.0 111.028 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.497 ' HE2' ' CD1' ' A' ' 44' ' ' TYR . 2.0 ttp -151.24 130.68 12.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 0.774 . . . . 0.0 110.956 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.712 HG23 ' CG2' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -138.14 146.49 26.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.339 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.422 ' HB2' ' CB ' ' A' ' 44' ' ' TYR . 5.5 mt-10 -119.24 146.61 45.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 110.305 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.697 ' CE1' ' HB3' ' A' ' 39' ' ' ALA . 55.5 m-85 -122.0 156.3 33.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.972 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.644 HD22 ' N ' ' A' ' 58' ' ' LEU . 1.1 mm? -94.08 16.7 13.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.275 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 13.9 mmt180 -147.34 137.38 23.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 110.279 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -65.06 -57.92 7.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -48.29 -47.07 36.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 110.274 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.641 ' OD1' ' HB1' ' A' ' 39' ' ' ALA . 1.3 t0 -49.63 -44.23 47.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.32 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.684 ' SD ' HD11 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -57.94 -58.77 6.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.157 . . . . 0.0 111.016 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.52 ' HA ' HD12 ' A' ' 67' ' ' LEU . 9.9 mt-10 -58.89 -42.4 89.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 110.263 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.612 ' CD1' ' HA ' ' A' ' 39' ' ' ALA . 30.4 t80 -50.45 -67.04 0.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.163 . . . . 0.0 111.014 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 1.064 ' HB2' ' HB2' ' A' ' 39' ' ' ALA . . . -55.6 -40.36 71.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.577 1.173 . . . . 0.0 109.349 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.767 HD23 HG12 ' A' ' 87' ' ' VAL . 23.4 mt -49.52 -59.38 3.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.469 ' O ' ' C ' ' A' ' 69' ' ' LYS . 3.7 mmp_? -71.35 -67.64 0.5 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.282 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.469 ' C ' ' O ' ' A' ' 68' ' ' ARG . 0.3 OUTLIER -34.81 -63.62 0.3 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.806 ' O ' HG23 ' A' ' 73' ' ' THR . 27.0 mt -63.01 -62.49 1.68 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.65 ' C ' ' O ' ' A' ' 70' ' ' LEU . 64.5 t0 16.21 88.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 12.5 t0 67.26 100.98 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 109.278 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.806 HG23 ' O ' ' A' ' 70' ' ' LEU . 11.7 p -135.22 168.06 19.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 110.368 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.6 ttpt -96.94 98.75 10.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.282 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.444 ' CD2' HD23 ' A' ' 23' ' ' LEU . 32.3 t80 -89.08 132.35 34.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -102.46 115.54 30.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 110.278 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 24.2 p -67.35 168.32 10.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 110.013 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.597 ' O ' ' CD2' ' A' ' 78' ' ' HIS . 1.3 t60 -68.07 -12.09 60.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.574 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -97.32 5.75 49.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.15 . . . . 0.0 110.312 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 90.08 -37.13 3.4 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.543 1.152 . . . . 0.0 110.996 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -48.85 122.59 5.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 0.736 . . . . 0.0 110.292 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 20.0 p -99.14 155.88 17.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 110.442 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 7.8 m -155.55 159.63 39.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 110.012 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -92.17 113.31 25.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.993 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.436 ' HB ' HG13 ' A' ' 20' ' ' VAL . 12.4 pt -108.02 132.83 54.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 -97.95 154.14 17.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.279 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.767 HG12 HD23 ' A' ' 67' ' ' LEU . 2.0 t -125.02 123.33 65.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.602 ' CE1' ' O ' ' A' ' 19' ' ' LEU . 35.6 p90 -153.22 156.51 32.61 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 0.0 111.017 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.452 ' C ' HD23 ' A' ' 19' ' ' LEU . 18.2 Cg_endo -75.02 174.53 12.63 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.499 1.789 . . . . 0.0 110.955 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.407 ' CB ' HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.3 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.506 ' CE2' ' HB2' ' A' ' 60' ' ' LYS . 22.1 m-85 . . . . . 0 N--CA 1.454 -0.263 0 CA-C-O 120.495 0.188 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.422 ' NH2' ' OE1' ' A' ' 90' ' ' GLU . 10.7 ptt180 -136.51 166.84 22.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.25 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.652 ' CG2' HG23 ' A' ' 55' ' ' VAL . 27.3 m -120.42 129.27 75.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.54 ' O ' ' CD1' ' A' ' 88' ' ' TYR . 15.9 mt -87.9 122.93 32.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.6 HG12 HD21 ' A' ' 23' ' ' LEU . 72.5 t -114.0 134.83 55.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.363 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 56.0 p -143.65 126.04 15.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.003 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.486 ' C ' HG22 ' A' ' 85' ' ' ILE . . . 135.51 -6.17 4.2 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.496 1.123 . . . . 0.0 111.041 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.931 HD13 HG21 ' A' ' 85' ' ' ILE . 3.3 mm? -40.19 151.65 0.24 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.455 0.738 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.402 ' HD2' ' HA3' ' A' ' 27' ' ' GLY . 18.2 Cg_endo -75.0 174.1 13.37 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.52 1.8 . . . . 0.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -15.71 20.52 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.561 1.821 . . . . 0.0 110.993 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.4 m -120.63 8.42 10.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.021 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.402 ' HA3' ' HD2' ' A' ' 24' ' ' PRO . . . -61.44 163.9 21.38 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.499 1.124 . . . . 0.0 111.044 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 64.9 m -142.95 163.5 32.63 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.473 0.749 . . . . 0.0 110.067 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.537 ' HB3' HG12 ' A' ' 47' ' ' VAL . 59.8 p-90 -75.24 -47.76 26.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 107.983 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.487 ' HG3' ' CH2' ' A' ' 29' ' ' TRP . 50.6 mt-30 -38.9 -70.26 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.276 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.445 ' HB3' ' CE1' ' A' ' 75' ' ' PHE . 0.1 OUTLIER -52.51 -48.42 66.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.562 1.163 . . . . 0.0 109.278 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.646 HD23 ' C ' ' A' ' 32' ' ' LEU . 4.6 tt -48.15 -53.13 17.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.466 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 1.9 tttt -53.59 -65.89 0.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 33' ' ' LYS . 54.3 m-20 -38.98 -30.51 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.337 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.447 ' N ' ' O ' ' A' ' 33' ' ' LYS . 4.2 t60 -83.9 -61.52 1.8 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 109.573 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.658 ' HG3' HG21 ' A' ' 55' ' ' VAL . 24.6 mmm -49.6 -39.61 36.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 0.0 110.997 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.48 ' O ' ' C ' ' A' ' 38' ' ' GLU . 4.6 mmm180 -41.91 -25.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.48 ' C ' ' O ' ' A' ' 37' ' ' ARG . 0.4 OUTLIER -31.85 -40.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.317 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 1.036 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . . . -60.97 -81.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -146.77 -111.57 0.68 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.498 1.124 . . . . 0.0 111.014 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -108.68 128.75 55.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 0.773 . . . . 0.0 109.277 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.432 ' CG2' ' HA ' ' A' ' 37' ' ' ARG . 11.7 t -102.63 116.61 46.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.337 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 15.1 t -95.53 -23.73 16.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 108.325 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.596 ' CD2' ' OE2' ' A' ' 56' ' ' GLU . 18.2 t80 -129.14 131.89 47.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.98 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -152.52 116.47 4.86 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -145.45 163.61 34.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.69 HG23 ' O ' ' A' ' 52' ' ' MET . 2.3 p -142.07 142.78 27.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.575 1.172 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -113.66 157.93 21.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.292 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.8 -178.84 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 0.0 109.325 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.2 t70 71.16 -58.55 0.57 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.272 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 145.99 54.43 0.02 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.69 ' O ' HG23 ' A' ' 47' ' ' VAL . 0.3 OUTLIER -118.18 158.94 24.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 0.751 . . . . 0.0 111.003 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -151.87 159.58 28.38 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.482 1.114 . . . . 0.0 110.987 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.498 ' HE2' ' CD1' ' A' ' 44' ' ' TYR . 2.3 ttp -153.53 117.47 4.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 0.766 . . . . 0.0 111.006 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.658 HG21 ' HG3' ' A' ' 36' ' ' MET . 0.0 OUTLIER -126.45 139.38 51.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.596 ' OE2' ' CD2' ' A' ' 44' ' ' TYR . 48.6 mt-10 -105.59 153.06 22.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.298 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.681 ' CE1' ' HB3' ' A' ' 39' ' ' ALA . 24.4 m-85 -127.42 140.64 52.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.987 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.575 HD22 ' N ' ' A' ' 58' ' ' LEU . 1.2 mm? -85.88 9.78 15.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.6 mmt180 -143.73 136.36 27.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.244 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.506 ' HB2' ' CE2' ' A' ' 16' ' ' PHE . 72.8 tttt -62.56 -57.08 12.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -46.72 -51.22 16.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 110.26 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.423 ' O ' ' HB3' ' A' ' 65' ' ' TYR . 74.7 m-20 -46.34 -50.06 16.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.549 ' HA ' ' CD2' ' A' ' 57' ' ' TYR . 18.6 ttp -51.97 -61.54 2.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 111.03 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.444 ' HA ' HD12 ' A' ' 67' ' ' LEU . 16.5 mt-10 -59.2 -44.32 92.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.325 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.578 ' CD1' ' HA ' ' A' ' 39' ' ' ALA . 22.2 t80 -50.06 -64.16 0.89 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.983 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 1.036 ' HB2' ' HB2' ' A' ' 39' ' ' ALA . . . -58.35 -38.74 77.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.564 1.165 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.738 HD23 HG12 ' A' ' 87' ' ' VAL . 19.3 mt -51.02 -57.34 8.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.261 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.465 ' O ' ' C ' ' A' ' 69' ' ' LYS . 3.3 mmp_? -73.08 -67.08 0.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.313 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.465 ' C ' ' O ' ' A' ' 68' ' ' ARG . 0.1 OUTLIER -34.86 -60.22 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.857 ' O ' HG23 ' A' ' 73' ' ' THR . 21.5 mt -66.87 -62.81 1.25 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.639 ' C ' ' O ' ' A' ' 70' ' ' LEU . 35.3 t70 17.67 88.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 37.0 t0 64.97 105.92 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.149 . . . . 0.0 109.275 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.857 HG23 ' O ' ' A' ' 70' ' ' LEU . 5.6 p -140.59 176.07 9.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 110.367 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.0 ttpt -100.41 98.44 9.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 109.307 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.523 ' CE1' ' HA ' ' A' ' 32' ' ' LEU . 21.2 t80 -85.38 133.77 34.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.994 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.2 ttt-85 -108.07 113.72 27.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 0.0 110.298 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 33.2 p -69.37 177.23 2.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 110.0 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.482 ' CD2' ' HG2' ' A' ' 79' ' ' GLU . 0.1 OUTLIER -75.91 -15.15 60.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.594 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.482 ' HG2' ' CD2' ' A' ' 78' ' ' HIS . 4.1 mm-40 -90.38 -1.17 57.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.326 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 94.79 -31.36 6.95 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.508 1.13 . . . . 0.0 111.041 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -50.09 137.45 17.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 0.781 . . . . 0.0 110.274 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 20.2 p -120.05 141.3 49.87 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.475 1.109 . . . . 0.0 110.406 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.0 m -142.58 174.96 10.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.012 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -106.19 118.96 37.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 111.004 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.931 HG21 HD13 ' A' ' 23' ' ' LEU . 8.9 pt -120.42 134.05 65.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.18 158.91 15.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.317 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.738 HG12 HD23 ' A' ' 67' ' ' LEU . 1.6 t -123.72 112.46 33.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.438 1.086 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.54 ' CD1' ' O ' ' A' ' 19' ' ' LEU . 11.8 p90 -138.01 158.68 70.79 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 110.985 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -179.3 4.86 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.483 1.781 . . . . 0.0 111.03 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.422 ' OE1' ' NH2' ' A' ' 17' ' ' ARG . 6.7 tt0 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.2 m -152.73 -56.92 0.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 0.762 . . . . 0.0 110.008 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.4 t 62.8 131.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 110.004 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.21 106.31 0.23 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.462 1.101 . . . . 0.0 111.02 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -142.58 154.39 44.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 0.766 . . . . 0.0 110.031 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 m -68.05 -58.47 4.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 110.016 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -48.75 -86.01 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.53 1.144 . . . . 0.0 111.016 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 68.46 68.72 1.56 Allowed Glycine 0 CA--C 1.531 1.049 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 172.23 16.77 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.533 1.807 . . . . 0.0 110.997 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 76.55 3.38 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.506 1.793 . . . . 0.0 110.972 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 11.7 t -93.72 149.34 21.31 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.512 1.133 . . . . 0.0 110.384 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -119.06 87.85 2.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.321 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.7 mmm180 -53.38 -25.57 16.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 110.271 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 17.3 m -143.3 174.79 10.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.999 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -105.79 -41.36 5.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -75.55 104.94 6.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.98 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.55 178.13 6.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 110.314 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 1.055 HG23 HG23 ' A' ' 55' ' ' VAL . 14.7 m -139.12 123.06 19.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.239 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 20.3 mt -83.59 126.5 32.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.628 HG13 ' HB ' ' A' ' 85' ' ' ILE . 40.4 t -114.05 128.17 71.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 109.261 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.405 ' O ' ' HA ' ' A' ' 85' ' ' ILE . 0.4 OUTLIER -135.76 148.37 48.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.049 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 51' ' ' GLY . . . 95.42 30.99 7.77 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.506 1.129 . . . . 0.0 111.006 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.48 ' HG ' HG21 ' A' ' 85' ' ' ILE . 2.9 mt -77.3 157.59 80.47 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.51 0.77 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 169.55 22.35 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.485 1.782 . . . . 0.0 111.011 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -13.91 21.37 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.453 1.765 . . . . 0.0 110.977 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.4 m -111.82 -10.25 14.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.002 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -52.47 147.67 13.45 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.478 1.111 . . . . 0.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 78.8 p -127.62 -177.87 4.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 0.787 . . . . 0.0 109.991 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.524 ' CZ3' ' HG2' ' A' ' 30' ' ' GLN . 44.7 p-90 -92.2 -31.14 15.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 107.977 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.524 ' HG2' ' CZ3' ' A' ' 29' ' ' TRP . 91.4 mt-30 -56.76 -64.11 0.98 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.473 1.108 . . . . 0.0 110.313 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.09 -43.05 95.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.249 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.745 HD23 ' C ' ' A' ' 32' ' ' LEU . 2.2 tt -52.28 -51.25 59.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.502 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 4.8 tttt -56.23 -62.2 1.87 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.142 . . . . 0.0 109.322 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -41.27 -28.47 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.418 ' N ' ' O ' ' A' ' 33' ' ' LYS . 4.7 t60 -83.93 -61.31 1.85 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.574 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.74 ' HG3' HG21 ' A' ' 55' ' ' VAL . 27.6 mmm -50.6 -39.46 49.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 110.981 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.502 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 1.4 mmm180 -43.91 -24.81 0.16 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 110.306 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.49 ' C ' ' O ' ' A' ' 37' ' ' ARG . 5.2 mm-40 -31.65 -40.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.299 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 1.047 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . . . -64.82 -81.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -142.11 -119.0 1.44 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.442 1.089 . . . . 0.0 110.966 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.74 ' HB3' HD13 ' A' ' 58' ' ' LEU . 8.1 t0 -106.82 134.56 49.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 0.756 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.732 HG11 HG12 ' A' ' 55' ' ' VAL . 15.6 t -100.35 119.16 48.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 23.2 p -92.35 -24.86 18.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 108.29 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -131.16 136.64 48.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 110.99 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -152.2 111.85 3.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -139.3 153.23 47.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.341 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.425 HG12 ' HB3' ' A' ' 29' ' ' TRP . 14.7 p -141.85 143.83 26.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -124.76 170.3 11.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.322 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.99 -171.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 73.46 -59.68 0.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.427 ' O ' ' N ' ' A' ' 22' ' ' GLY . . . 141.0 45.19 0.06 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.5 1.125 . . . . 0.0 110.955 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.424 ' HE3' ' O ' ' A' ' 20' ' ' VAL . 0.9 OUTLIER -119.84 160.99 21.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 0.775 . . . . 0.0 110.981 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -154.47 173.33 32.96 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.469 1.106 . . . . 0.0 110.99 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.442 ' HE3' ' CG ' ' A' ' 56' ' ' GLU . 2.6 ttp -155.08 133.53 11.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.543 0.79 . . . . 0.0 110.937 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 1.055 HG23 HG23 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -139.18 141.15 36.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.266 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.442 ' CG ' ' HE3' ' A' ' 54' ' ' MET . 3.0 mt-10 -121.44 135.17 55.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 110.315 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.684 ' CE1' ' HB3' ' A' ' 39' ' ' ALA . 38.4 m-85 -104.46 168.67 8.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.568 1.168 . . . . 0.0 111.009 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.74 HD13 ' HB3' ' A' ' 41' ' ' ASP . 3.7 mp -96.82 -17.67 20.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 32.7 mmt180 -122.09 145.5 48.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.338 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 32.8 tttt -63.29 -55.11 27.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.36 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -43.24 -50.92 6.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.335 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -44.15 -51.77 7.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.25 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.476 ' HG2' HD11 ' A' ' 67' ' ' LEU . 9.8 ttp -51.64 -67.16 0.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.989 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.444 ' HA ' HD12 ' A' ' 67' ' ' LEU . 16.1 mt-10 -53.69 -46.39 70.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.113 . . . . 0.0 110.24 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.573 ' CD1' ' HA ' ' A' ' 39' ' ' ALA . 28.7 t80 -50.09 -66.03 0.46 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 111.019 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 1.047 ' HB2' ' HB2' ' A' ' 39' ' ' ALA . . . -57.79 -38.08 74.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.625 HD23 HG12 ' A' ' 87' ' ' VAL . 19.7 mt -50.87 -58.1 6.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.258 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.455 ' O ' ' C ' ' A' ' 69' ' ' LYS . 7.2 mmt180 -72.9 -66.33 0.68 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.284 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.455 ' C ' ' O ' ' A' ' 68' ' ' ARG . 13.9 mptt -35.56 -61.1 0.47 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.839 ' O ' HG23 ' A' ' 73' ' ' THR . 21.2 mt -66.22 -62.09 1.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.259 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.635 ' C ' ' O ' ' A' ' 70' ' ' LEU . 34.0 t70 17.96 88.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 44.3 t0 63.96 106.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.429 1.081 . . . . 0.0 109.281 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.839 HG23 ' O ' ' A' ' 70' ' ' LEU . 5.4 p -140.46 170.2 16.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 0.0 110.407 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 21.9 tttt -95.72 99.3 11.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.421 ' CE1' ' HA ' ' A' ' 32' ' ' LEU . 44.6 t80 -89.48 129.64 35.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.942 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.6 ttt180 -98.83 121.42 40.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 110.294 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 52.7 p -72.87 178.51 4.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 110.017 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -79.08 -6.6 56.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.587 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -104.28 12.65 33.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 0.0 110.317 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 87.8 -41.57 3.08 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.559 1.162 . . . . 0.0 111.032 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -43.46 165.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 0.75 . . . . 0.0 110.288 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.41 ' HA ' ' O ' ' A' ' 75' ' ' PHE . 67.8 p -141.5 165.9 26.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.399 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 37.6 m -162.38 153.85 18.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.998 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -89.27 106.84 18.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.991 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.628 ' HB ' HG13 ' A' ' 20' ' ' VAL . 4.2 pt -105.94 129.57 58.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -90.9 152.01 20.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.255 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.773 HG21 ' HB2' ' A' ' 70' ' ' LEU . 1.8 t -118.25 113.44 42.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.496 ' HA ' HD22 ' A' ' 67' ' ' LEU . 11.0 p90 -144.89 159.61 49.6 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.977 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 178.12 7.7 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.519 1.8 . . . . 0.0 110.99 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -105.74 122.32 45.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.61 151.41 39.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.326 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 89.8 p -177.24 95.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.028 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 40.34 79.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.953 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.97 159.15 43.99 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.537 1.148 . . . . 0.0 110.999 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -47.27 0.21 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.491 1.785 . . . . 0.0 110.958 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 71.74 -59.62 0.55 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.988 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 56.7 p -159.61 131.44 6.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.01 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.447 1.092 . . . . 0.0 110.992 -179.999 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.8 p -157.36 96.96 1.59 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 0.747 . . . . 0.0 109.99 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -128.88 95.44 4.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 110.042 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.83 -71.24 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.534 1.146 . . . . 0.0 110.967 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 59.6 95.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 0.744 . . . . 0.0 110.011 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.4 t 61.94 85.84 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 109.959 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.54 100.35 0.19 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.535 1.147 . . . . 0.0 110.979 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 60.11 97.12 0.01 OUTLIER Glycine 0 CA--C 1.531 1.035 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 151.78 40.0 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.522 1.801 . . . . 0.0 111.048 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 143.29 28.98 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.525 1.803 . . . . 0.0 111.016 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.2 t -70.82 150.97 45.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.456 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.75 33.41 1.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.298 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 28.8 mtp180 -61.73 -17.09 54.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 110.28 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.53 ' HB3' ' CD2' ' A' ' 16' ' ' PHE . 60.2 m -161.5 172.69 16.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.965 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.566 ' O ' ' CD1' ' A' ' 16' ' ' PHE . 1.1 m-20 -132.18 68.69 1.49 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.566 ' CD1' ' O ' ' A' ' 15' ' ' ASP . 11.2 m-85 -150.92 109.43 3.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 110.992 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.446 ' NH1' ' OE1' ' A' ' 90' ' ' GLU . 0.1 OUTLIER -139.18 177.85 7.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.27 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.867 HG23 HG23 ' A' ' 55' ' ' VAL . 29.8 m -136.47 126.12 38.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.263 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.6 mt -84.76 123.88 30.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.299 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 92.4 t -107.11 137.23 39.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.421 ' O ' ' HA ' ' A' ' 85' ' ' ILE . 0.5 OUTLIER -146.53 152.65 39.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.988 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.489 ' C ' HG22 ' A' ' 85' ' ' ILE . . . 87.53 34.88 9.84 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.459 1.099 . . . . 0.0 111.013 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.403 ' HG ' HG21 ' A' ' 85' ' ' ILE . 2.2 mt -81.0 157.46 71.32 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.514 0.773 . . . . 0.0 109.314 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 170.83 19.55 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.502 1.791 . . . . 0.0 111.009 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -12.05 21.51 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.471 1.774 . . . . 0.0 110.975 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.8 p -113.71 -8.48 13.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.565 1.165 . . . . 0.0 109.982 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -50.24 145.85 9.03 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.471 1.107 . . . . 0.0 110.992 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.8 m -128.1 -177.49 4.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 0.763 . . . . 0.0 110.001 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.632 ' CH2' ' NE2' ' A' ' 30' ' ' GLN . 62.1 p-90 -90.96 -41.75 10.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 108.03 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.632 ' NE2' ' CH2' ' A' ' 29' ' ' TRP . 10.6 mm-40 -48.54 -71.62 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 110.312 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.73 -43.14 65.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.693 HD23 ' C ' ' A' ' 32' ' ' LEU . 3.5 tt -52.26 -54.0 36.83 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.482 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 7.2 ttpt -55.35 -59.98 4.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -42.1 -27.34 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.42 ' N ' ' C ' ' A' ' 33' ' ' LYS . 4.1 t60 -86.42 -56.55 3.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.644 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.716 ' HG3' HG21 ' A' ' 55' ' ' VAL . 28.4 mmm -55.8 -40.19 72.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 111.031 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.486 ' O ' ' C ' ' A' ' 38' ' ' GLU . 7.0 mmm-85 -41.08 -26.61 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.325 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.486 ' C ' ' O ' ' A' ' 37' ' ' ARG . 0.4 OUTLIER -31.74 -40.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.299 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 1.031 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . . . -60.82 -80.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -147.61 -108.87 0.53 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.477 1.111 . . . . 0.0 111.02 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -114.53 129.73 56.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 0.749 . . . . 0.0 109.287 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.643 HG11 HG12 ' A' ' 55' ' ' VAL . 7.9 t -101.36 119.75 49.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 10.7 t -95.52 -29.26 14.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 108.286 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.47 ' CB ' ' OE1' ' A' ' 56' ' ' GLU . 6.7 t80 -125.66 132.16 52.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -152.14 114.22 4.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -135.95 155.78 49.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.294 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.448 HG12 ' HB3' ' A' ' 29' ' ' TRP . 10.9 p -142.18 140.87 29.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -123.45 170.64 10.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.32 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.12 -172.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 74.16 -58.94 0.57 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 139.79 44.75 0.07 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -117.71 161.21 20.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 0.788 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -154.93 169.7 33.09 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.454 1.097 . . . . 0.0 111.001 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.468 ' CE ' ' HG3' ' A' ' 56' ' ' GLU . 1.2 ttp -154.8 127.57 8.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 0.785 . . . . 0.0 110.987 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.867 HG23 HG23 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -135.75 138.24 48.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 109.319 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.47 ' OE1' ' CB ' ' A' ' 44' ' ' TYR . 40.9 mt-10 -111.99 149.15 32.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.345 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.927 ' CE1' ' HB3' ' A' ' 39' ' ' ALA . 44.4 m-85 -121.14 146.41 46.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 110.963 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.454 HD22 ' N ' ' A' ' 58' ' ' LEU . 2.2 mm? -83.6 -5.22 59.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 109.269 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 9.7 mmt180 -129.67 133.27 47.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 110.278 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 75.0 tttt -57.41 -53.07 62.33 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -48.62 -55.53 10.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.155 . . . . 0.0 110.336 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.41 ' O ' ' HB3' ' A' ' 65' ' ' TYR . 81.6 m-20 -40.06 -53.04 2.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.534 ' HA ' ' CD2' ' A' ' 57' ' ' TYR . 17.0 ttp -49.25 -61.96 1.8 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 111.023 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.422 ' HA ' HD12 ' A' ' 67' ' ' LEU . 13.5 mt-10 -59.36 -45.27 91.89 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 110.276 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.568 ' CD1' ' HA ' ' A' ' 39' ' ' ALA . 18.0 t80 -50.47 -62.04 1.83 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 111.001 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 1.031 ' HB2' ' HB2' ' A' ' 39' ' ' ALA . . . -60.08 -38.29 82.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.816 HD23 HG12 ' A' ' 87' ' ' VAL . 18.7 mt -51.77 -56.18 15.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.453 ' O ' ' C ' ' A' ' 69' ' ' LYS . 11.2 mmt180 -72.97 -66.92 0.61 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 110.288 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 68' ' ' ARG . 9.9 mptt -35.93 -60.79 0.52 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.87 ' O ' HG23 ' A' ' 73' ' ' THR . 20.5 mt -65.78 -62.68 1.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 109.27 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.633 ' C ' ' O ' ' A' ' 70' ' ' LEU . 36.1 t0 18.46 90.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.3 t70 60.86 106.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.87 HG23 ' O ' ' A' ' 70' ' ' LEU . 3.0 p -138.2 178.03 7.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 110.391 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -101.93 99.2 9.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 109.257 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -83.57 149.35 26.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 111.02 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 45.3 ttp85 -123.64 114.99 20.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 74.8 p -72.02 173.89 7.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.966 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.534 ' O ' ' CD2' ' A' ' 78' ' ' HIS . 2.2 t60 -72.5 -15.29 61.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.611 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -96.18 5.35 51.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.304 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 92.91 -41.48 2.72 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.493 1.12 . . . . 0.0 111.044 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -38.81 139.32 0.45 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 0.781 . . . . 0.0 110.251 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 77.6 p -124.11 155.12 38.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 110.379 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 83.0 p -156.08 164.15 38.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.035 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -96.92 109.13 21.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.093 . . . . 0.0 110.974 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.489 HG22 ' C ' ' A' ' 22' ' ' GLY . 5.9 pt -107.89 130.37 60.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.127 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.64 152.23 20.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.269 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.816 HG12 HD23 ' A' ' 67' ' ' LEU . 2.0 t -117.25 115.86 50.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.514 ' HA ' HD22 ' A' ' 67' ' ' LEU . 10.9 p90 -146.37 158.01 48.0 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.122 . . . . 0.0 110.933 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 178.65 6.99 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.498 1.788 . . . . 0.0 111.013 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.446 ' OE1' ' NH1' ' A' ' 17' ' ' ARG . 1.4 tt0 -101.94 80.68 2.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.112 . . . . 0.0 110.29 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.02 166.68 0.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 110.278 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.7 t -108.49 124.75 50.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.005 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 64.19 126.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 110.005 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -57.67 126.61 42.73 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.476 1.11 . . . . 0.0 111.008 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 63.67 6.03 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.512 1.796 . . . . 0.0 111.019 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 25.0 m 41.09 91.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.019 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 8.9 t -68.47 157.11 36.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.003 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 O-C-N 124.45 1.094 . . . . 0.0 110.994 -179.967 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.9 m -126.57 -58.49 1.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 0.76 . . . . 0.0 110.037 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.8 p -96.66 165.79 11.97 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.47 1.106 . . . . 0.0 109.978 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.87 74.9 1.28 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.524 1.14 . . . . 0.0 111.034 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.98 -57.34 1.52 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 0.766 . . . . 0.0 110.01 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.41 145.45 26.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.989 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.23 -74.68 1.28 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.462 1.101 . . . . 0.0 110.934 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -153.43 75.27 0.23 Allowed Glycine 0 CA--C 1.53 1.009 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 164.86 32.51 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.499 1.789 . . . . 0.0 111.021 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 83.54 1.8 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.482 1.78 . . . . 0.0 111.017 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 58.5 m -68.92 98.19 0.92 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.546 1.154 . . . . 0.0 110.406 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.84 81.71 1.48 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 110.294 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -139.86 176.59 8.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.28 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.8 m -42.33 153.84 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.973 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.529 ' O ' ' CD1' ' A' ' 16' ' ' PHE . 0.5 OUTLIER -118.13 70.35 0.8 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.137 . . . . 0.0 109.258 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.529 ' CD1' ' O ' ' A' ' 15' ' ' ASP . 29.1 m-85 -148.16 107.04 3.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.095 . . . . 0.0 110.981 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.57 177.7 7.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 110.268 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.88 HG23 HG23 ' A' ' 55' ' ' VAL . 27.8 m -137.93 124.8 27.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.675 HD11 ' HG2' ' A' ' 90' ' ' GLU . 15.0 mt -83.67 128.04 34.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.552 HG13 ' HB ' ' A' ' 85' ' ' ILE . 70.4 t -112.26 135.96 49.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.342 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 75.1 p -143.34 138.99 29.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.957 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.416 ' O ' HG22 ' A' ' 85' ' ' ILE . . . 99.23 51.0 1.38 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.522 1.139 . . . . 0.0 111.021 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.451 HD23 ' CD2' ' A' ' 75' ' ' PHE . 1.7 mt -100.38 157.22 34.18 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.505 0.767 . . . . 0.0 109.273 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.41 ' CG ' ' HB3' ' A' ' 77' ' ' SER . 18.4 Cg_endo -75.0 168.17 25.43 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.463 1.77 . . . . 0.0 111.039 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -12.97 21.55 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.482 1.78 . . . . 0.0 111.024 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.7 m -109.89 -14.41 14.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.021 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -47.33 155.57 0.92 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.461 1.101 . . . . 0.0 111.009 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 45.6 m -134.67 174.64 10.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 0.779 . . . . 0.0 109.991 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.542 ' HB3' HG12 ' A' ' 47' ' ' VAL . 56.4 p-90 -81.41 -42.77 19.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 108.01 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.525 ' CG ' ' CH2' ' A' ' 29' ' ' TRP . 29.1 mt-30 -48.79 -72.37 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.06 -42.53 60.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.829 HD23 ' C ' ' A' ' 32' ' ' LEU . 0.8 OUTLIER -53.12 -48.4 67.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.504 ' N ' HD23 ' A' ' 32' ' ' LEU . 21.8 ttpt -59.64 -59.2 5.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -40.18 -29.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.434 ' N ' ' O ' ' A' ' 33' ' ' LYS . 5.7 t60 -83.0 -47.88 11.25 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.419 1.074 . . . . 0.0 109.6 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.756 ' HG3' HG21 ' A' ' 55' ' ' VAL . 29.8 mmm -62.87 -41.36 99.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.966 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.485 ' O ' ' C ' ' A' ' 38' ' ' GLU . 14.5 mtm180 -40.66 -26.96 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.283 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.485 ' C ' ' O ' ' A' ' 37' ' ' ARG . 0.4 OUTLIER -31.0 -40.61 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.299 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 1.02 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . . . -63.88 -81.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -147.15 -115.86 0.9 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.505 1.128 . . . . 0.0 111.031 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -105.5 134.85 47.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 0.748 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.452 HG11 HG12 ' A' ' 55' ' ' VAL . 2.8 t -103.95 126.36 58.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.488 ' HB2' HD11 ' A' ' 58' ' ' LEU . 4.5 t -99.26 -32.84 11.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 108.306 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.408 ' CB ' ' HB2' ' A' ' 56' ' ' GLU . 14.8 t80 -121.02 140.04 52.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -151.61 113.14 4.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -140.8 148.44 40.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.419 1.074 . . . . 0.0 109.292 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.542 HG12 ' HB3' ' A' ' 29' ' ' TRP . 7.0 p -131.2 137.73 54.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -105.97 164.43 11.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.288 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.462 ' O ' ' CB ' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -67.93 175.89 2.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 109.338 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.462 ' CB ' ' O ' ' A' ' 49' ' ' LYS . 8.2 t70 79.53 -58.04 0.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.269 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 151.36 44.29 0.02 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.49 1.119 . . . . 0.0 111.006 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.47 ' O ' HG23 ' A' ' 47' ' ' VAL . 0.8 OUTLIER -111.56 158.62 19.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 0.767 . . . . 0.0 110.992 -179.942 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -148.69 158.1 27.54 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.484 1.115 . . . . 0.0 110.966 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.521 ' CE ' ' CG ' ' A' ' 56' ' ' GLU . 0.4 OUTLIER -150.04 132.28 15.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 0.746 . . . . 0.0 110.973 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.88 HG23 HG23 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -141.58 138.4 32.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 109.29 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.521 ' CG ' ' CE ' ' A' ' 54' ' ' MET . 9.5 mt-10 -117.82 123.36 45.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.097 . . . . 0.0 110.311 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.707 ' CE1' ' HB3' ' A' ' 39' ' ' ALA . 51.1 m-85 -91.11 162.54 14.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 110.941 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.49 HD22 ' N ' ' A' ' 58' ' ' LEU . 2.9 mm? -83.25 -38.78 21.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.432 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 11.0 mmp_? -99.81 -174.42 2.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 110.297 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 44.9 tttt -99.5 -57.95 2.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -43.58 -50.32 7.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.288 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' A' ' 59' ' ' ARG . 2.2 p30 -45.92 -48.84 16.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.558 ' HA ' ' CD2' ' A' ' 57' ' ' TYR . 26.6 ttp -56.07 -65.94 0.51 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 111.042 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -52.27 -45.61 65.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.313 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.583 ' CD1' ' HA ' ' A' ' 39' ' ' ALA . 17.9 t80 -50.41 -61.8 1.97 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 110.972 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 1.02 ' HB2' ' HB2' ' A' ' 39' ' ' ALA . . . -59.98 -38.87 83.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.95 HD23 HG12 ' A' ' 87' ' ' VAL . 19.7 mt -51.59 -55.3 20.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.466 ' O ' ' C ' ' A' ' 69' ' ' LYS . 26.3 mmt85 -73.86 -67.89 0.56 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.466 ' C ' ' O ' ' A' ' 68' ' ' ARG . 9.6 mptt -35.27 -59.5 0.52 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.345 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.762 ' HB2' HG21 ' A' ' 87' ' ' VAL . 17.0 mt -66.7 -61.27 2.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.344 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.655 ' C ' ' O ' ' A' ' 70' ' ' LEU . 27.0 t70 15.04 80.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.407 ' CB ' ' O ' ' A' ' 71' ' ' ASP . 7.5 t0 75.04 100.86 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.334 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.712 HG23 ' O ' ' A' ' 70' ' ' LEU . 17.2 p -133.66 168.35 18.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 110.405 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.1 tttt -97.15 100.82 12.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.451 ' CD2' HD23 ' A' ' 23' ' ' LEU . 54.2 t80 -88.77 127.28 35.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.565 1.165 . . . . 0.0 111.007 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 28.5 ttp180 -96.65 114.03 25.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.33 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.41 ' HB3' ' CG ' ' A' ' 24' ' ' PRO . 46.7 p -65.59 159.03 25.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 110.001 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -62.43 -15.47 49.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.632 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -94.55 5.78 50.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.271 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 94.22 -39.81 2.85 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.477 1.11 . . . . 0.0 110.997 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -43.29 136.73 2.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 0.752 . . . . 0.0 110.293 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.9 p -114.24 143.38 44.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.39 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 60.1 m -145.96 161.33 40.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 110.003 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -98.06 120.25 38.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 0.0 110.998 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.552 ' HB ' HG13 ' A' ' 20' ' ' VAL . 4.8 pt -114.3 130.15 69.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.29 144.76 25.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.323 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.95 HG12 HD23 ' A' ' 67' ' ' LEU . 2.0 t -114.47 120.1 63.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.26 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 24.0 p90 -151.12 156.8 35.39 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 171.31 18.57 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.462 1.77 . . . . 0.0 110.994 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.675 ' HG2' HD11 ' A' ' 19' ' ' LEU . 0.3 OUTLIER -83.78 118.39 23.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.317 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -158.4 150.95 22.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.31 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 22.7 t -86.18 -60.73 1.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.033 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 67.4 m 64.98 81.58 0.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.008 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -119.02 -119.96 2.88 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.46 1.1 . . . . 0.0 111.023 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 123.18 7.67 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.486 1.782 . . . . 0.0 110.959 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 10.3 t -168.25 154.95 7.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.152 . . . . 0.0 109.985 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 48.0 t -78.79 -59.16 2.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.044 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 O-C-N 124.497 1.123 . . . . 0.0 110.992 -179.989 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.7 t 71.33 -60.49 0.51 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 0.759 . . . . 0.0 110.016 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.7 t -46.6 139.51 5.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.142 . . . . 0.0 110.03 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.42 -77.57 0.07 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.518 1.136 . . . . 0.0 110.97 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.6 p -63.32 159.37 18.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 0.791 . . . . 0.0 110.036 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -132.83 104.88 6.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 110.041 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.92 90.4 0.17 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.521 1.138 . . . . 0.0 110.957 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 62.0 85.75 0.05 OUTLIER Glycine 0 CA--C 1.529 0.951 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 163.27 35.59 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.467 1.772 . . . . 0.0 110.956 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 167.67 26.53 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.498 1.788 . . . . 0.0 111.038 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.8 m 63.28 107.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 110.393 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.59 46.51 1.69 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.287 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.1 mmm180 -55.14 -20.6 10.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 110.319 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 9.8 m -167.03 158.35 12.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.016 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.45 ' O ' ' CD1' ' A' ' 16' ' ' PHE . 21.0 m-20 -107.12 58.3 0.63 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.45 ' CD1' ' O ' ' A' ' 15' ' ' ASP . 37.9 m-85 -147.78 90.92 1.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 111.009 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.416 ' HB3' ' CG ' ' A' ' 56' ' ' GLU . 4.1 ptp180 -116.83 177.34 4.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.33 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.901 HG23 HG23 ' A' ' 55' ' ' VAL . 14.6 m -134.48 124.82 45.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.413 HD11 ' HG2' ' A' ' 90' ' ' GLU . 13.6 mt -82.79 127.54 33.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.441 ' CG1' HD11 ' A' ' 23' ' ' LEU . 12.9 t -114.15 134.36 57.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 9.0 p -141.83 153.22 44.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.036 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.54 ' C ' HG22 ' A' ' 85' ' ' ILE . . . 87.99 40.57 6.58 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.543 1.152 . . . . 0.0 111.007 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.51 HD23 ' CD2' ' A' ' 75' ' ' PHE . 3.7 mt -90.73 158.41 42.46 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.489 0.758 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 171.01 19.15 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.51 1.795 . . . . 0.0 110.993 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -21.79 15.47 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.498 1.788 . . . . 0.0 111.024 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.5 m -104.63 -8.63 18.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.015 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -57.36 136.78 50.27 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.516 1.135 . . . . 0.0 110.977 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.4 m -114.4 177.04 4.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 0.773 . . . . 0.0 109.981 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.695 ' HB3' HG22 ' A' ' 47' ' ' VAL . 51.1 p-90 -84.34 -36.56 22.44 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.448 ' HG3' ' CZ3' ' A' ' 29' ' ' TRP . 52.0 mt-30 -50.38 -73.21 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 110.295 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -49.67 -39.24 35.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 109.263 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.807 HD23 ' C ' ' A' ' 32' ' ' LEU . 0.9 OUTLIER -57.01 -48.99 77.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.518 ' N ' HD23 ' A' ' 32' ' ' LEU . 9.6 ttpt -57.79 -56.08 26.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -47.51 -23.84 0.72 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -88.81 -48.62 7.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 109.597 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.649 ' HG3' HG21 ' A' ' 55' ' ' VAL . 28.3 mmm -63.51 -40.54 97.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 111.004 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.501 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 1.4 mtm180 -42.21 -25.56 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 110.3 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.493 ' C ' ' O ' ' A' ' 37' ' ' ARG . 0.4 OUTLIER -31.22 -40.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 110.295 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 1.019 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . . . -63.35 -83.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -140.31 -122.74 1.94 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.499 1.124 . . . . 0.0 110.997 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -107.12 130.26 54.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 0.735 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.459 HG11 HG12 ' A' ' 55' ' ' VAL . 21.5 t -90.78 133.44 32.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.462 ' HB2' HD21 ' A' ' 58' ' ' LEU . 22.8 t -99.32 -32.13 11.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 108.317 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -140.92 139.72 34.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 111.014 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -144.01 128.15 17.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -144.17 161.64 38.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.695 HG22 ' HB3' ' A' ' 29' ' ' TRP . 0.9 OUTLIER -133.69 152.32 34.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.328 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -124.43 162.52 23.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.298 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.402 ' O ' ' CB ' ' A' ' 50' ' ' ASP . 2.2 pttp -65.89 178.08 1.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.402 ' CB ' ' O ' ' A' ' 49' ' ' LYS . 0.9 OUTLIER 75.03 -57.89 0.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 22' ' ' GLY . . . 149.36 44.4 0.03 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.531 1.144 . . . . 0.0 111.008 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -113.66 160.93 18.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 0.774 . . . . 0.0 110.982 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -152.16 167.06 31.19 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.475 1.11 . . . . 0.0 110.977 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -152.01 136.22 16.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 0.76 . . . . 0.0 110.979 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.901 HG23 HG23 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -142.07 130.92 22.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.416 ' CG ' ' HB3' ' A' ' 17' ' ' ARG . 1.4 mt-10 -110.52 113.24 25.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.297 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.578 ' CE1' ' HB3' ' A' ' 39' ' ' ALA . 25.1 m-85 -82.01 176.28 9.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 111.003 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.462 HD21 ' HB2' ' A' ' 43' ' ' CYS . 13.0 mt -105.54 -11.87 16.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 16.1 mmm180 -129.51 144.42 51.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 110.338 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 20.3 tttp -67.43 -53.45 28.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.239 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -48.49 -38.12 19.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.265 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 -59.6 -45.42 91.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.522 ' HG3' HG13 ' A' ' 18' ' ' VAL . 9.4 ttp -54.91 -60.58 3.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 111.033 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -56.76 -45.28 82.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.341 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.58 ' CD1' ' HA ' ' A' ' 39' ' ' ALA . 18.2 t80 -51.03 -62.16 1.79 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.978 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 1.019 ' HB2' ' HB2' ' A' ' 39' ' ' ALA . . . -59.73 -39.79 85.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.582 1.176 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.877 HD23 HG12 ' A' ' 87' ' ' VAL . 18.5 mt -51.03 -55.46 17.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.465 ' O ' ' C ' ' A' ' 69' ' ' LYS . 22.0 mmm180 -73.12 -68.4 0.49 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.267 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.465 ' C ' ' O ' ' A' ' 68' ' ' ARG . 1.1 mptp? -34.97 -60.65 0.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.083 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.752 ' O ' HG23 ' A' ' 73' ' ' THR . 20.4 mt -65.36 -62.06 1.75 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.262 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.658 ' C ' ' O ' ' A' ' 70' ' ' LEU . 29.1 t70 15.97 86.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.405 ' OD1' ' CD2' ' A' ' 84' ' ' TYR . 7.6 t0 68.77 104.49 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.752 HG23 ' O ' ' A' ' 70' ' ' LEU . 9.9 p -136.69 171.45 14.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 110.398 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.404 ' HE3' HG21 ' A' ' 82' ' ' THR . 14.1 tttt -99.0 99.48 10.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.51 ' CD2' HD23 ' A' ' 23' ' ' LEU . 50.1 t80 -87.08 127.88 35.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.113 . . . . 0.0 111.004 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 21.9 ttp180 -99.87 111.83 24.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.427 1.08 . . . . 0.0 110.308 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 23.7 p -64.06 159.73 19.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.581 1.176 . . . . 0.0 109.963 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -61.46 -18.04 57.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.608 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -87.51 -3.03 59.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 98.66 -29.92 10.66 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.527 1.142 . . . . 0.0 110.955 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -49.12 156.06 0.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 0.785 . . . . 0.0 110.319 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.404 HG21 ' HE3' ' A' ' 74' ' ' LYS . 10.0 p -125.24 157.41 36.61 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 110.425 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 38.1 m -163.5 152.48 14.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.029 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.405 ' CD2' ' OD1' ' A' ' 72' ' ' ASP . 0.1 OUTLIER -94.35 111.43 23.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.962 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.54 HG22 ' C ' ' A' ' 22' ' ' GLY . 12.0 pt -109.89 132.84 57.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.277 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.22 152.57 19.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.349 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.877 HG12 HD23 ' A' ' 67' ' ' LEU . 1.9 t -117.86 114.36 45.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.444 1.09 . . . . 0.0 109.32 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.423 ' HA ' HD22 ' A' ' 67' ' ' LEU . 12.4 p90 -144.84 156.68 55.58 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -177.09 3.23 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.476 1.777 . . . . 0.0 110.984 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.413 ' HG2' HD11 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -91.27 87.16 6.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 110.313 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.79 155.94 46.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.282 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 99.6 p -170.96 151.18 3.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.969 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 9.6 t -42.77 155.73 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.01 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 165.13 -154.88 25.94 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.514 1.134 . . . . 0.0 110.971 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 168.44 24.82 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.473 1.775 . . . . 0.0 111.029 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.62 78.8 0.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.978 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 34.4 t -179.05 131.2 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.001 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.526 1.141 . . . . 0.0 111.005 179.992 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 59.07 102.23 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 0.783 . . . . 0.0 109.982 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.3 m -143.17 168.84 18.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 109.957 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.94 122.82 13.86 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.546 1.154 . . . . 0.0 110.999 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.7 p -128.44 144.84 51.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 0.785 . . . . 0.0 109.996 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 m -169.94 117.59 0.57 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.977 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 53.03 -138.74 34.57 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.48 1.112 . . . . 0.0 111.017 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 40.7 -103.83 0.04 OUTLIER Glycine 0 CA--C 1.531 1.056 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.415 ' HA ' ' HD3' ' A' ' 10' ' ' PRO . 18.2 Cg_endo -75.08 151.45 39.17 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.511 1.795 . . . . 0.0 110.993 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 9' ' ' PRO . 18.1 Cg_endo -75.03 177.6 8.38 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.511 1.795 . . . . 0.0 110.956 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.466 HG22 ' HD3' ' A' ' 13' ' ' ARG . 19.8 m -53.04 -66.18 0.43 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.379 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 55.91 70.71 0.61 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.309 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.466 ' HD3' HG22 ' A' ' 11' ' ' THR . 0.2 OUTLIER -141.33 -179.59 6.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.429 1.081 . . . . 0.0 110.337 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 50.1 m -49.73 176.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.968 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.593 ' O ' ' CD1' ' A' ' 16' ' ' PHE . 7.8 m-20 -124.67 62.92 1.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.345 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.593 ' CD1' ' O ' ' A' ' 15' ' ' ASP . 53.2 m-85 -156.55 104.2 2.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.987 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.3 ptp85 -129.06 177.71 6.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.319 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.958 HG23 HG23 ' A' ' 55' ' ' VAL . 21.2 m -132.74 122.97 48.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.528 ' O ' ' CD1' ' A' ' 88' ' ' TYR . 7.6 mt -82.48 124.25 29.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.272 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.435 ' O ' ' N ' ' A' ' 53' ' ' GLY . 79.6 t -110.07 140.26 29.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 93.3 p -149.03 129.06 13.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.97 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.622 ' O ' HG22 ' A' ' 85' ' ' ILE . . . 110.78 48.37 0.74 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.497 1.123 . . . . 0.0 111.025 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.904 HD12 ' O ' ' A' ' 51' ' ' GLY . 5.4 mt -91.79 157.46 41.55 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.507 0.769 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 170.15 21.05 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.513 1.796 . . . . 0.0 110.974 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -13.26 21.38 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.529 1.805 . . . . 0.0 111.03 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.407 ' CB ' ' HB2' ' A' ' 79' ' ' GLU . 42.0 p -113.94 -12.52 12.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 109.995 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -51.28 158.02 2.54 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.502 1.126 . . . . 0.0 111.019 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 58.7 m -141.21 173.37 11.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 0.75 . . . . 0.0 110.001 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.569 ' CZ2' ' HG3' ' A' ' 30' ' ' GLN . 47.3 p-90 -77.52 -44.62 28.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 108.018 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.569 ' HG3' ' CZ2' ' A' ' 29' ' ' TRP . 47.2 mt-30 -45.95 -73.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.327 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.423 ' HB3' ' CE1' ' A' ' 75' ' ' PHE . 0.5 OUTLIER -49.93 -47.85 52.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.26 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.809 HD23 ' C ' ' A' ' 32' ' ' LEU . 1.0 OUTLIER -47.45 -48.2 26.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.492 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 12.8 ttpt -56.62 -60.54 3.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -40.72 -29.09 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.428 ' N ' ' O ' ' A' ' 33' ' ' LYS . 4.4 t60 -84.77 -60.03 2.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.581 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.747 ' HG3' HG21 ' A' ' 55' ' ' VAL . 27.2 mmm -51.52 -38.32 53.54 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.097 . . . . 0.0 111.013 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.492 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 6.6 mmm180 -44.2 -25.01 0.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 110.288 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.476 ' C ' ' O ' ' A' ' 37' ' ' ARG . 3.4 mm-40 -32.04 -40.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.298 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 1.093 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . . . -61.19 -82.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -142.74 -106.17 0.57 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.453 1.096 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.444 ' HB3' HD23 ' A' ' 58' ' ' LEU . 24.8 t0 -120.37 131.24 54.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 0.762 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.512 HG11 HG12 ' A' ' 55' ' ' VAL . 9.8 t -96.47 119.14 44.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.618 ' HB2' HD11 ' A' ' 58' ' ' LEU . 19.3 t -88.26 -20.28 25.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 108.306 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 52.4 t80 -150.39 141.75 23.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.983 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -151.35 114.87 4.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -131.5 167.22 19.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.477 HG23 ' HB3' ' A' ' 29' ' ' TRP . 52.0 t -142.01 143.2 27.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -118.69 166.36 12.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.56 ' O ' ' CB ' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -62.55 165.74 5.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.166 . . . . 0.0 109.287 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.56 ' CB ' ' O ' ' A' ' 49' ' ' LYS . 3.0 t0 88.02 -37.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.904 ' O ' HD12 ' A' ' 23' ' ' LEU . . . 130.32 -1.65 5.73 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.523 1.139 . . . . 0.0 111.027 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.19 161.48 13.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.566 0.804 . . . . 0.0 111.059 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -154.23 163.74 31.17 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.447 1.092 . . . . 0.0 110.955 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.9 131.99 16.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 0.742 . . . . 0.0 111.01 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.958 HG23 HG23 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -143.7 132.97 20.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -103.35 157.54 16.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 110.273 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.749 ' CE1' ' HB3' ' A' ' 39' ' ' ALA . 25.8 m-85 -130.38 146.44 51.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.986 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.618 HD11 ' HB2' ' A' ' 43' ' ' CYS . 1.3 mm? -86.58 9.79 17.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.353 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 19.9 mmt180 -146.2 127.46 14.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 110.296 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.487 ' HB2' ' CE2' ' A' ' 16' ' ' PHE . 81.0 tttt -57.93 -57.02 14.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -48.78 -47.7 41.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.329 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -53.93 -37.1 63.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.329 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.681 ' SD ' HD11 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -59.51 -53.86 53.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 111.009 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.592 ' HA ' HD12 ' A' ' 67' ' ' LEU . 25.3 mt-10 -64.94 -40.3 94.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.581 ' CD1' ' HA ' ' A' ' 39' ' ' ALA . 20.3 t80 -50.12 -63.4 1.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.973 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 1.093 ' HB2' ' HB2' ' A' ' 39' ' ' ALA . . . -58.93 -38.47 79.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.718 HD23 HG12 ' A' ' 87' ' ' VAL . 19.6 mt -51.32 -56.98 10.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.461 ' O ' ' C ' ' A' ' 69' ' ' LYS . 3.2 mmt180 -72.86 -66.89 0.61 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.299 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.461 ' C ' ' O ' ' A' ' 68' ' ' ARG . 13.3 mptt -35.5 -60.73 0.49 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.762 ' HB2' HG21 ' A' ' 87' ' ' VAL . 19.2 mt -65.65 -62.08 1.72 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.648 ' C ' ' O ' ' A' ' 70' ' ' LEU . 38.5 t70 15.91 76.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.327 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.451 ' CB ' ' O ' ' A' ' 71' ' ' ASP . 9.1 t0 78.82 102.63 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.746 HG23 ' O ' ' A' ' 70' ' ' LEU . 20.3 p -138.96 166.86 23.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.373 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.5 tttt -94.57 105.86 17.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.532 ' CE1' ' HA ' ' A' ' 32' ' ' LEU . 35.5 t80 -93.87 127.9 39.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.992 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.8 ttp180 -94.63 118.13 31.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 110.287 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 84.3 p -70.38 167.54 17.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 110.038 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.572 ' O ' ' CD2' ' A' ' 78' ' ' HIS . 1.1 t60 -69.21 -14.47 62.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.441 1.088 . . . . 0.0 109.58 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.407 ' HB2' ' CB ' ' A' ' 26' ' ' SER . 1.0 OUTLIER -94.28 -3.56 50.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.283 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 103.71 -38.83 3.05 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.506 1.129 . . . . 0.0 110.983 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -41.89 159.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 0.773 . . . . 0.0 110.299 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 23.6 p -137.38 156.77 47.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.372 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 51.4 p -160.47 162.28 33.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.007 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -95.38 112.37 24.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 110.957 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.622 HG22 ' O ' ' A' ' 22' ' ' GLY . 6.5 pt -106.63 130.72 58.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.59 153.8 20.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.268 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.762 HG21 ' HB2' ' A' ' 70' ' ' LEU . 2.2 t -124.29 116.85 48.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.528 ' CD1' ' O ' ' A' ' 19' ' ' LEU . 13.7 p90 -145.45 157.83 51.77 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 166.63 28.81 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.469 1.773 . . . . 0.0 111.007 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.417 ' HG2' HD11 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -77.28 167.68 21.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.317 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -177.84 50.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 110.302 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.0 t -100.27 101.34 12.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.99 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.3 t -143.91 162.05 37.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.96 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -119.49 138.69 13.53 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.502 1.126 . . . . 0.0 110.994 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 73.97 4.12 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.503 1.791 . . . . 0.0 111.039 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 5.1 t -154.44 148.81 26.12 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.527 1.142 . . . . 0.0 110.018 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.7 t -100.83 85.15 2.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.03 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 O-C-N 124.501 1.126 . . . . 0.0 111.011 -179.981 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.6 t -68.13 141.82 55.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 0.739 . . . . 0.0 110.002 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -148.61 130.6 15.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.978 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 126.27 -156.97 19.99 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.458 1.098 . . . . 0.0 110.983 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.38 88.01 1.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 0.769 . . . . 0.0 109.972 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.4 t 61.11 109.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.999 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.26 152.18 23.28 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.523 1.139 . . . . 0.0 111.028 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 122.93 -138.69 11.88 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 156.67 42.94 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.513 1.796 . . . . 0.0 110.955 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 126.43 9.94 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.452 1.764 . . . . 0.0 110.991 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.419 HG22 ' NH1' ' A' ' 13' ' ' ARG . 19.1 m -96.51 99.18 10.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.405 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.3 mtt-85 -109.75 83.18 1.71 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 110.262 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.419 ' NH1' HG22 ' A' ' 11' ' ' THR . 0.0 OUTLIER -125.54 -175.64 3.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.313 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 13' ' ' ARG . 49.3 m -38.97 127.1 1.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.025 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.606 ' O ' ' CD1' ' A' ' 16' ' ' PHE . 1.3 m-20 -93.62 70.06 4.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.352 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.606 ' CD1' ' O ' ' A' ' 15' ' ' ASP . 42.2 m-85 -162.48 100.86 1.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.14 . . . . 0.0 110.947 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.555 ' HD2' HD11 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -128.59 177.97 6.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.165 . . . . 0.0 110.271 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.859 HG23 HG23 ' A' ' 55' ' ' VAL . 27.8 m -139.3 124.8 21.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 109.293 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.713 HD21 ' CG ' ' A' ' 90' ' ' GLU . 1.1 mm? -84.46 128.7 34.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.271 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.429 ' O ' ' N ' ' A' ' 53' ' ' GLY . 62.4 t -115.57 134.7 57.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.407 ' O ' ' HA ' ' A' ' 85' ' ' ILE . 0.4 OUTLIER -142.9 149.97 39.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 110.009 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 51' ' ' GLY . . . 91.01 47.35 3.64 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.453 1.096 . . . . 0.0 111.065 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.456 ' HG ' ' CG2' ' A' ' 85' ' ' ILE . 1.5 mt -94.74 157.05 37.55 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.509 0.77 . . . . 0.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 172.04 17.14 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.49 1.784 . . . . 0.0 110.956 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -19.3 17.97 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.497 1.788 . . . . 0.0 110.984 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.4 m -105.3 -10.22 17.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.991 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -55.46 144.87 32.69 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.482 1.113 . . . . 0.0 110.992 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.15 -177.42 4.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 0.733 . . . . 0.0 110.028 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.57 ' CH2' ' HG2' ' A' ' 30' ' ' GLN . 39.7 p-90 -88.75 -36.33 16.19 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.57 ' HG2' ' CH2' ' A' ' 29' ' ' TRP . 7.0 mt-30 -47.08 -70.74 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.336 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.37 -50.82 68.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.815 HD23 ' C ' ' A' ' 32' ' ' LEU . 0.9 OUTLIER -45.48 -47.14 14.02 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.513 ' O ' ' N ' ' A' ' 36' ' ' MET . 7.5 tttt -55.26 -69.67 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 33' ' ' LYS . 5.9 t0 -39.45 -38.0 0.52 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -68.36 -47.63 66.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.622 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.73 ' HG3' HG21 ' A' ' 55' ' ' VAL . 28.8 mmm -67.7 -41.81 83.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.14 . . . . 0.0 111.011 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.494 ' O ' ' C ' ' A' ' 38' ' ' GLU . 21.5 mtp180 -39.58 -28.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 110.304 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.494 ' C ' ' O ' ' A' ' 37' ' ' ARG . 5.2 mm-40 -31.18 -40.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.322 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 1.085 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . . . -62.2 -81.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -149.18 -123.15 1.24 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.505 1.128 . . . . 0.0 110.978 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.683 ' HB3' HD13 ' A' ' 58' ' ' LEU . 0.7 OUTLIER -95.4 133.62 39.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 0.788 . . . . 0.0 109.289 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.45 HG21 ' HG2' ' A' ' 37' ' ' ARG . 24.9 t -104.18 116.56 48.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 25.8 p -93.78 -24.14 17.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 108.35 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.522 ' CD1' ' HE2' ' A' ' 54' ' ' MET . 16.1 t80 -129.9 137.46 50.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -152.22 114.43 4.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.265 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -145.34 158.92 43.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 109.329 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 52' ' ' MET . 7.8 p -139.18 140.68 37.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -109.64 162.28 14.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.32 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.31 -178.37 0.25 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 109.262 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.1 t70 74.22 -58.85 0.57 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.419 ' O ' ' N ' ' A' ' 22' ' ' GLY . . . 149.91 44.14 0.03 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.474 1.109 . . . . 0.0 110.983 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.504 ' O ' HG23 ' A' ' 47' ' ' VAL . 0.9 OUTLIER -110.14 166.38 11.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 0.779 . . . . 0.0 111.018 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -158.5 160.62 31.13 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.485 1.115 . . . . 0.0 110.989 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.522 ' HE2' ' CD1' ' A' ' 44' ' ' TYR . 2.0 ttp -153.34 130.83 11.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 0.756 . . . . 0.0 111.009 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.859 HG23 HG23 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -138.89 142.46 34.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.34 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.434 ' CG ' ' HE3' ' A' ' 54' ' ' MET . 13.7 mt-10 -117.66 140.36 49.76 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.475 1.109 . . . . 0.0 110.283 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.722 ' CE1' ' HB3' ' A' ' 39' ' ' ALA . 43.1 m-85 -111.08 169.49 8.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 111.023 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.683 HD13 ' HB3' ' A' ' 41' ' ' ASP . 4.6 mp -95.89 -35.97 11.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.115 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 5.6 mmt-85 -105.29 139.35 40.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.262 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.565 ' HG3' ' CD1' ' A' ' 16' ' ' PHE . 25.1 tttp -58.43 -56.64 19.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.238 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -45.23 -52.68 9.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.301 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.583 ' O ' ' HB1' ' A' ' 39' ' ' ALA . 97.1 m-20 -46.81 -37.17 8.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.703 ' SD ' HD11 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -62.91 -67.69 0.4 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 111.019 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.649 ' HA ' HD12 ' A' ' 67' ' ' LEU . 27.0 mt-10 -52.61 -39.43 61.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 110.312 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.588 ' CD1' ' HA ' ' A' ' 39' ' ' ALA . 34.2 t80 -50.64 -68.51 0.16 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.997 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 1.085 ' HB2' ' HB2' ' A' ' 39' ' ' ALA . . . -55.79 -38.09 69.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.821 HD23 HG12 ' A' ' 87' ' ' VAL . 25.4 mt -50.81 -57.96 7.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.332 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.46 ' O ' ' C ' ' A' ' 69' ' ' LYS . 3.0 mmt180 -73.61 -66.38 0.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.298 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.497 ' HD3' ' CD2' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -35.07 -60.0 0.48 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.853 ' O ' HG23 ' A' ' 73' ' ' THR . 18.9 mt -67.56 -62.0 1.62 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.64 ' C ' ' O ' ' A' ' 70' ' ' LEU . 38.5 t0 17.0 91.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.7 t0 61.74 106.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.853 HG23 ' O ' ' A' ' 70' ' ' LEU . 3.5 p -138.62 171.43 14.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 110.395 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.4 tttt -95.51 99.15 11.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.411 ' CD2' HD23 ' A' ' 23' ' ' LEU . 59.1 t80 -88.14 136.96 32.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 111.003 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 50.1 ttp180 -114.55 120.06 38.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.286 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 86.3 p -68.93 173.16 5.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.986 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 1.3 p-80 -73.8 -10.9 60.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.602 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -90.81 -9.3 46.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 0.0 110.31 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 104.09 -23.97 30.59 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.481 1.113 . . . . 0.0 110.992 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -52.4 157.4 1.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 0.801 . . . . 0.0 110.302 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.6 p -127.54 147.98 50.33 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 110.367 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 51.1 m -154.33 164.87 37.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.115 . . . . 0.0 110.013 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -105.83 117.16 33.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 0.0 110.997 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.456 ' CG2' ' HG ' ' A' ' 23' ' ' LEU . 14.3 pt -114.87 133.12 62.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.55 158.06 15.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 110.272 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.821 HG12 HD23 ' A' ' 67' ' ' LEU . 2.2 t -127.3 120.14 54.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.166 . . . . 0.0 109.272 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.4 ' HA ' HD22 ' A' ' 67' ' ' LEU . 37.2 p90 -153.44 155.73 31.86 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 111.048 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.44 ' C ' HD23 ' A' ' 19' ' ' LEU . 18.3 Cg_endo -74.96 171.02 19.13 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.488 1.783 . . . . 0.0 110.978 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.713 ' CG ' HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -94.66 178.29 5.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.28 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.5 tpt85 -132.19 123.13 26.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.287 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 60.5 p -122.69 121.36 36.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.977 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -148.31 134.64 19.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 110.037 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 161.09 132.19 1.31 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.523 1.14 . . . . 0.0 111.014 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -43.18 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.539 1.81 . . . . 0.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -172.9 -57.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.993 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.1 t -87.51 140.14 29.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.143 . . . . 0.0 109.989 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.479 1.112 . . . . 0.0 110.999 -179.944 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.2 m -61.93 164.15 6.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 0.784 . . . . 0.0 109.967 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -39.39 147.06 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.022 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.52 -128.07 2.24 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.474 1.109 . . . . 0.0 110.994 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -120.11 170.98 8.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 0.79 . . . . 0.0 109.974 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 m -172.83 158.26 3.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.953 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.3 -116.47 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.499 1.124 . . . . 0.0 111.006 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.12 172.91 0.02 OUTLIER Glycine 0 CA--C 1.531 1.034 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 159.41 41.53 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.513 1.796 . . . . 0.0 111.078 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 69.0 5.67 Favored 'Trans proline' 0 C--N 1.359 1.093 0 O-C-N 124.511 1.795 . . . . 0.0 110.952 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 55.3 p -107.02 142.37 36.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.424 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.97 45.63 0.92 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.8 143.83 51.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 110.283 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 17.3 m 50.04 -177.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.008 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.509 ' O ' ' CD1' ' A' ' 16' ' ' PHE . 4.2 m-20 -165.06 62.75 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.509 ' CD1' ' O ' ' A' ' 15' ' ' ASP . 48.6 m-85 -153.37 107.81 3.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 111.004 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.5 ptt180 -131.96 177.15 7.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.305 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.81 HG23 HG23 ' A' ' 55' ' ' VAL . 21.3 m -131.01 131.43 64.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.616 HD11 ' HG2' ' A' ' 90' ' ' GLU . 10.0 mt -89.9 124.25 34.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.687 HG13 ' HB ' ' A' ' 85' ' ' ILE . 10.3 t -112.71 139.49 37.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 58.2 m -148.71 130.14 14.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 110.031 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.579 ' C ' HG22 ' A' ' 85' ' ' ILE . . . 115.67 32.83 1.67 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.929 HD12 ' O ' ' A' ' 51' ' ' GLY . 4.7 mt -77.23 156.69 81.55 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.493 0.76 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 169.9 21.57 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.497 1.788 . . . . 0.0 110.97 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -12.84 21.47 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.556 1.819 . . . . 0.0 111.018 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.2 m -117.68 0.91 12.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.132 . . . . 0.0 110.029 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -62.81 161.57 32.04 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.53 1.144 . . . . 0.0 111.015 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.1 m -140.67 175.48 9.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 0.743 . . . . 0.0 109.986 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.532 ' CZ2' ' HG3' ' A' ' 30' ' ' GLN . 44.7 p-90 -84.81 -40.54 17.06 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.532 ' HG3' ' CZ2' ' A' ' 29' ' ' TRP . 39.9 mt-30 -49.68 -73.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.304 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.77 -39.4 25.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.26 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.825 HD23 ' C ' ' A' ' 32' ' ' LEU . 0.7 OUTLIER -56.67 -48.31 77.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.549 ' N ' HD23 ' A' ' 32' ' ' LEU . 0.4 OUTLIER -54.4 -60.71 2.98 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -42.88 -27.51 0.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.412 ' N ' ' C ' ' A' ' 33' ' ' LYS . 4.3 t60 -85.86 -56.39 3.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 109.626 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.719 ' HG3' HG21 ' A' ' 55' ' ' VAL . 25.1 mmm -55.61 -40.43 72.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 110.978 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.502 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 1.7 mmm180 -42.09 -25.84 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.34 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.485 ' C ' ' O ' ' A' ' 37' ' ' ARG . 4.7 mm-40 -31.46 -40.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.297 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 1.086 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . . . -59.66 -75.02 0.06 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -153.07 -103.22 0.23 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.463 1.102 . . . . 0.0 110.987 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -122.85 128.34 50.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 0.762 . . . . 0.0 109.292 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.539 HG11 HG12 ' A' ' 55' ' ' VAL . 6.9 t -94.93 126.03 47.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.354 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.561 ' HB2' HD21 ' A' ' 58' ' ' LEU . 8.4 t -91.2 -26.47 19.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 108.299 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -145.81 142.28 28.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 111.003 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -150.66 115.65 5.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -134.06 165.85 24.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.322 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.466 HG23 ' HB3' ' A' ' 29' ' ' TRP . 30.5 t -142.12 144.43 25.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -120.58 167.96 11.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 110.349 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.556 ' O ' ' CB ' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -62.22 169.22 2.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 109.336 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.556 ' CB ' ' O ' ' A' ' 49' ' ' LYS . 6.0 t0 87.05 -42.2 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.929 ' O ' HD12 ' A' ' 23' ' ' LEU . . . 132.6 -3.01 5.0 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.551 1.157 . . . . 0.0 110.954 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.27 154.55 41.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 0.771 . . . . 0.0 110.972 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -150.63 171.96 30.4 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.519 1.137 . . . . 0.0 110.999 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -149.38 143.67 25.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 0.785 . . . . 0.0 111.026 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.81 HG23 HG23 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -151.1 124.47 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -93.77 153.61 18.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.429 1.081 . . . . 0.0 110.319 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.757 ' CE1' ' HB3' ' A' ' 39' ' ' ALA . 14.3 m-85 -128.12 142.7 51.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.558 1.162 . . . . 0.0 110.97 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.561 HD21 ' HB2' ' A' ' 43' ' ' CYS . 1.6 mm? -82.37 -4.31 57.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -131.27 134.31 46.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.331 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.9 tttp -61.5 -57.29 12.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.565 1.166 . . . . 0.0 109.315 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -44.18 -52.76 7.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.284 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.544 ' HB3' ' HB1' ' A' ' 39' ' ' ALA . 76.0 m-20 -44.44 -50.49 9.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 109.336 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.412 ' HA ' ' CD2' ' A' ' 57' ' ' TYR . 14.5 ttp -48.33 -60.98 2.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.997 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.527 ' HA ' HD12 ' A' ' 67' ' ' LEU . 19.0 mt-10 -62.58 -43.94 97.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.319 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.571 ' CD1' ' HA ' ' A' ' 39' ' ' ALA . 17.0 t80 -50.75 -61.8 1.99 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.961 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 1.086 ' HB2' ' HB2' ' A' ' 39' ' ' ALA . . . -59.41 -38.1 79.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.707 HD23 HG12 ' A' ' 87' ' ' VAL . 16.4 mt -52.73 -54.54 32.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.269 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.446 ' O ' ' C ' ' A' ' 69' ' ' LYS . 17.8 mmt180 -73.5 -67.38 0.59 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -36.24 -59.87 0.6 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.289 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.839 ' O ' HG23 ' A' ' 73' ' ' THR . 20.1 mt -66.21 -62.5 1.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.637 ' C ' ' O ' ' A' ' 70' ' ' LEU . 33.7 t70 18.14 89.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.556 ' OD1' ' CE2' ' A' ' 84' ' ' TYR . 5.6 t70 61.48 102.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 109.331 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.839 HG23 ' O ' ' A' ' 70' ' ' LEU . 3.3 p -132.17 -179.39 5.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 110.413 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.1 tttt -107.42 98.7 8.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.45 ' CE1' ' HA ' ' A' ' 32' ' ' LEU . 49.6 t80 -90.43 127.44 36.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.961 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.7 ttp180 -96.6 121.85 38.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 110.321 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 87.0 p -69.76 165.36 21.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 110.007 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.579 ' O ' ' CD2' ' A' ' 78' ' ' HIS . 0.5 OUTLIER -68.54 -12.87 61.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.582 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -96.59 -6.48 36.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.32 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 108.74 -40.68 2.46 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.471 1.107 . . . . 0.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -41.33 151.45 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 0.752 . . . . 0.0 110.286 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 31.8 p -130.33 148.91 52.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.423 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 11.7 m -148.91 165.37 31.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.979 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.556 ' CE2' ' OD1' ' A' ' 72' ' ' ASP . 0.1 OUTLIER -103.1 108.87 20.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 110.98 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.687 ' HB ' HG13 ' A' ' 20' ' ' VAL . 4.1 pt -105.92 130.03 58.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.67 149.98 21.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 110.314 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.719 HG21 ' HB2' ' A' ' 70' ' ' LEU . 1.8 t -116.77 114.92 47.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.436 ' HA ' HD22 ' A' ' 67' ' ' LEU . 14.2 p90 -145.81 156.87 51.81 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.986 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 177.33 8.72 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.483 1.781 . . . . 0.0 110.971 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.616 ' HG2' HD11 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -88.63 141.68 28.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.326 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.0 ttt-85 -175.66 120.27 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.313 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -139.85 78.57 1.67 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.968 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 19.8 t 61.53 156.6 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 110.021 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -77.75 115.85 4.34 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.496 1.122 . . . . 0.0 110.992 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 147.73 34.35 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.48 1.779 . . . . 0.0 110.998 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 26.7 t -146.99 87.27 1.67 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.47 1.106 . . . . 0.0 109.983 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 8.6 t -132.61 -58.49 0.93 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.032 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.479 1.112 . . . . 0.0 111.036 -179.984 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -155.29 -58.59 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 0.736 . . . . 0.0 110.032 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 t -63.37 146.36 53.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.155 . . . . 0.0 109.992 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.94 101.21 0.23 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.493 1.12 . . . . 0.0 110.978 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.8 p -136.5 127.13 27.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 0.768 . . . . 0.0 110.034 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 57.76 164.47 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 110.001 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 63.62 -145.02 49.66 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.472 1.108 . . . . 0.0 111.04 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 140.23 121.32 1.81 Allowed Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 159.26 41.35 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.513 1.797 . . . . 0.0 110.975 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 171.2 18.8 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.476 1.777 . . . . 0.0 110.983 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 38.7 m -144.12 103.28 3.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 110.367 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.4 49.64 1.84 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.287 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -123.53 173.29 8.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 110.306 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 39.6 m -53.33 159.91 1.27 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.142 . . . . 0.0 110.013 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -116.04 68.43 0.72 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.549 ' CE2' ' HB2' ' A' ' 60' ' ' LYS . 26.0 m-85 -141.6 105.79 4.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 111.004 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.449 ' HD2' ' CD2' ' A' ' 19' ' ' LEU . 0.3 OUTLIER -125.73 176.7 6.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 110.286 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.909 HG23 HG23 ' A' ' 55' ' ' VAL . 17.0 m -133.9 119.86 33.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 0.0 109.276 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.461 HD11 ' HB3' ' A' ' 90' ' ' GLU . 40.3 mt -84.09 128.05 34.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 65.2 t -115.88 141.49 33.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 109.333 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.505 ' CB ' ' SD ' ' A' ' 52' ' ' MET . 51.9 p -143.8 154.52 43.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.023 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.888 ' O ' HG22 ' A' ' 85' ' ' ILE . . . 79.0 60.99 2.45 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.499 1.124 . . . . 0.0 110.979 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.467 HD23 ' CD2' ' A' ' 75' ' ' PHE . 3.9 mt -106.24 158.96 31.37 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.473 0.749 . . . . 0.0 109.3 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 171.36 18.47 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.526 1.803 . . . . 0.0 110.934 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -20.1 17.16 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.531 1.806 . . . . 0.0 111.054 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.402 ' HB2' ' CB ' ' A' ' 77' ' ' SER . 1.2 m -99.93 -14.97 18.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 110.04 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -48.92 134.07 22.56 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.523 1.14 . . . . 0.0 110.993 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.7 m -123.26 169.71 11.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 0.754 . . . . 0.0 109.995 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.613 ' CE3' ' N ' ' A' ' 30' ' ' GLN . 29.4 p-90 -71.6 -39.52 70.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 108.005 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.613 ' N ' ' CE3' ' A' ' 29' ' ' TRP . 1.4 tm0? -50.95 -73.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 110.251 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -50.09 -44.57 52.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.709 HD23 ' C ' ' A' ' 32' ' ' LEU . 3.1 tt -53.01 -51.66 60.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 109.325 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.516 ' O ' ' N ' ' A' ' 36' ' ' MET . 15.7 ttpt -58.11 -65.63 0.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.446 ' OD1' ' NE2' ' A' ' 30' ' ' GLN . 1.0 OUTLIER -39.86 -29.66 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.436 ' N ' ' O ' ' A' ' 33' ' ' LYS . 6.0 t60 -82.66 -46.02 13.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.621 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.794 ' HG3' HG21 ' A' ' 55' ' ' VAL . 23.4 mmm -64.43 -39.21 93.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.98 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.486 ' O ' ' C ' ' A' ' 38' ' ' GLU . 5.0 mtm105 -42.47 -25.59 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.306 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.486 ' C ' ' O ' ' A' ' 37' ' ' ARG . 3.7 mm-40 -31.05 -40.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 110.265 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 1.009 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . . . -66.38 -81.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -148.74 -130.09 1.88 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.537 1.148 . . . . 0.0 111.027 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -88.49 136.86 32.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 0.745 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.8 t -106.77 117.06 51.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.282 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.444 ' HB2' HD21 ' A' ' 58' ' ' LEU . 43.0 t -92.42 -25.52 18.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 108.331 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.513 ' CD1' ' CE ' ' A' ' 54' ' ' MET . 6.6 t80 -127.88 132.81 49.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.127 . . . . 0.0 110.959 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -148.2 114.71 5.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -144.65 163.28 34.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.473 HG12 ' HB3' ' A' ' 29' ' ' TRP . 5.7 p -140.56 139.08 35.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 109.267 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 58.1 mt-30 -108.99 170.16 8.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.269 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.95 -174.26 1.18 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.158 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.4 t0 72.83 -59.44 0.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.277 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.42 ' O ' ' N ' ' A' ' 22' ' ' GLY . . . 149.15 43.98 0.03 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.452 1.095 . . . . 0.0 111.002 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.505 ' SD ' ' CB ' ' A' ' 21' ' ' SER . 26.0 mmm -116.98 171.01 8.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 0.75 . . . . 0.0 110.996 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -157.13 167.97 33.95 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.457 1.098 . . . . 0.0 111.016 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.513 ' CE ' ' CD1' ' A' ' 44' ' ' TYR . 0.0 OUTLIER -152.17 137.39 17.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 0.793 . . . . 0.0 110.961 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.909 HG23 HG23 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -147.9 148.79 15.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.577 1.173 . . . . 0.0 109.316 179.939 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.442 ' HB2' ' CB ' ' A' ' 44' ' ' TYR . 2.4 mm-40 -115.22 164.21 14.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.664 ' CE1' ' HB3' ' A' ' 39' ' ' ALA . 22.3 m-85 -138.84 143.89 39.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 111.019 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.445 HD22 ' N ' ' A' ' 58' ' ' LEU . 1.4 mm? -86.66 7.01 28.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -141.86 132.29 25.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.16 . . . . 0.0 110.297 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.549 ' HB2' ' CE2' ' A' ' 16' ' ' PHE . 12.8 tttt -58.46 -53.67 55.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.238 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -47.61 -54.02 13.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.334 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.404 ' O ' ' HB3' ' A' ' 65' ' ' TYR . 84.8 m-20 -43.09 -51.79 5.67 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 109.344 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.482 ' HG3' HG13 ' A' ' 18' ' ' VAL . 20.1 ttp -51.5 -64.18 0.89 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 111.037 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -55.72 -46.04 77.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.547 ' CD1' ' HA ' ' A' ' 39' ' ' ALA . 24.5 t80 -50.51 -64.88 0.67 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 1.009 ' HB2' ' HB2' ' A' ' 39' ' ' ALA . . . -58.16 -38.57 76.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.971 HD23 HG12 ' A' ' 87' ' ' VAL . 18.7 mt -51.13 -57.51 8.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.546 ' O ' ' CB ' ' A' ' 71' ' ' ASP . 4.5 mmp_? -71.65 -66.87 0.58 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 68' ' ' ARG . 0.2 OUTLIER -36.65 -62.81 0.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.778 ' HB2' HG21 ' A' ' 87' ' ' VAL . 30.6 mt -60.68 -50.24 74.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.682 ' C ' ' O ' ' A' ' 70' ' ' LEU . 27.0 t0 -9.49 106.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 14.5 t70 60.84 103.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.339 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.645 HG23 ' O ' ' A' ' 70' ' ' LEU . 0.2 OUTLIER -147.43 175.33 10.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 110.402 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.2 tttt -108.07 98.66 8.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.467 ' CD2' HD23 ' A' ' 23' ' ' LEU . 33.2 t80 -83.82 134.82 34.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 111.015 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.3 ttp180 -108.4 112.97 25.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.275 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.402 ' CB ' ' HB2' ' A' ' 26' ' ' SER . 10.1 p -62.38 168.22 3.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.01 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 2.4 p-80 -70.21 -10.77 59.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.555 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -89.68 -1.33 57.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.312 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 95.23 -23.21 34.54 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.478 1.111 . . . . 0.0 111.023 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -58.72 156.18 11.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 0.753 . . . . 0.0 110.319 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.2 p -130.24 146.52 51.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 110.404 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 18.7 m -151.61 166.73 30.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.063 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -100.4 127.19 46.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.996 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.888 HG22 ' O ' ' A' ' 22' ' ' GLY . 45.4 pt -115.77 -173.66 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.75 132.74 18.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.12 . . . . 0.0 110.277 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.971 HG12 HD23 ' A' ' 67' ' ' LEU . 2.3 t -105.73 121.06 57.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.449 ' CD1' ' O ' ' A' ' 19' ' ' LEU . 22.4 p90 -147.59 158.31 43.39 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 111.013 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -168.56 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.484 1.781 . . . . 0.0 111.003 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.461 ' HB3' HD11 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -126.9 47.46 2.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 110.303 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 67.6 92.45 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.283 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.5 -60.96 1.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.005 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 53.0 p -141.18 138.03 33.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.988 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -108.64 172.84 17.09 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.583 1.177 . . . . 0.0 111.028 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 92.28 0.99 Allowed 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.528 1.804 . . . . 0.0 111.021 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -96.0 -59.2 1.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.021 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.3 m -170.87 152.05 3.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.035 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.5 1.125 . . . . 0.0 110.997 -179.994 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 68.86 -74.29 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 0.756 . . . . 0.0 110.004 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.4 p 51.92 96.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.949 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.85 75.14 0.13 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.475 1.109 . . . . 0.0 111.004 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.3 m -153.89 141.26 19.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 0.776 . . . . 0.0 109.985 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.7 t -50.25 160.45 0.37 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.968 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.31 59.43 0.63 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.458 1.099 . . . . 0.0 111.032 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -45.21 -84.91 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 173.01 15.24 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.51 1.795 . . . . 0.0 110.995 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 167.67 26.54 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.48 1.779 . . . . 0.0 110.989 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 65.1 m 58.98 94.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 110.393 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -136.46 84.56 2.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.335 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.68 -179.43 5.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 0.0 110.291 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.492 ' HB3' ' CD2' ' A' ' 16' ' ' PHE . 10.3 m -43.59 150.81 0.21 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.967 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.466 ' O ' ' CD1' ' A' ' 16' ' ' PHE . 2.3 p-10 -108.76 60.21 0.6 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.492 ' CD2' ' HB3' ' A' ' 14' ' ' SER . 11.8 m-85 -143.35 110.69 5.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.1 . . . . 0.0 111.01 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.535 ' HD2' HD11 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -139.85 177.86 7.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.276 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.771 ' CG2' HG23 ' A' ' 55' ' ' VAL . 34.5 m -136.95 132.75 47.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.6 HD21 ' HB2' ' A' ' 90' ' ' GLU . 1.6 mm? -92.84 118.86 31.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.42 1.075 . . . . 0.0 109.29 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.608 HG13 ' HB ' ' A' ' 85' ' ' ILE . 10.0 t -99.12 136.49 29.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 75.2 m -145.84 135.81 23.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.098 . . . . 0.0 110.029 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 108.63 38.16 1.95 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.532 1.145 . . . . 0.0 110.968 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.564 HD23 ' CD2' ' A' ' 75' ' ' PHE . 2.3 mt -88.05 160.46 46.2 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.53 0.782 . . . . 0.0 109.278 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.476 ' HG2' ' CA ' ' A' ' 27' ' ' GLY . 18.4 Cg_endo -74.99 173.72 14.02 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.496 1.788 . . . . 0.0 110.998 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -21.91 15.5 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.537 1.809 . . . . 0.0 111.002 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.406 ' O ' ' O ' ' A' ' 27' ' ' GLY . 38.5 m -108.22 -13.26 14.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.983 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.476 ' CA ' ' HG2' ' A' ' 24' ' ' PRO . . . -40.07 161.89 0.01 OUTLIER Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.577 1.173 . . . . 0.0 111.01 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.9 p -136.79 177.84 7.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 0.747 . . . . 0.0 109.965 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.605 ' CH2' ' NE2' ' A' ' 30' ' ' GLN . 59.8 p-90 -92.94 -41.01 10.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 108.039 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.605 ' NE2' ' CH2' ' A' ' 29' ' ' TRP . 11.8 mm-40 -51.4 -61.6 2.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.281 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.403 ' HB3' ' CZ ' ' A' ' 75' ' ' PHE . 0.3 OUTLIER -58.02 -40.0 79.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.812 HD23 ' C ' ' A' ' 32' ' ' LEU . 0.6 OUTLIER -56.74 -51.02 70.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.643 ' N ' HD23 ' A' ' 32' ' ' LEU . 1.6 ttpt -53.09 -56.16 18.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.274 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -45.17 -25.82 0.4 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.403 ' N ' ' C ' ' A' ' 33' ' ' LYS . 6.5 t60 -87.94 -52.33 5.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.103 . . . . 0.0 109.56 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.716 ' HG3' HG21 ' A' ' 55' ' ' VAL . 28.5 mmm -58.62 -39.57 80.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 111.019 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.493 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 6.1 mtm180 -42.01 -26.02 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.483 ' C ' ' O ' ' A' ' 37' ' ' ARG . 0.4 OUTLIER -31.64 -40.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.277 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 1.008 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . . . -66.3 -80.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -146.31 -130.17 2.11 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.515 1.134 . . . . 0.0 110.952 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -91.85 135.87 33.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 0.786 . . . . 0.0 109.296 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.534 HG11 HG12 ' A' ' 55' ' ' VAL . 3.6 t -107.98 116.33 51.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.564 1.165 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 31.7 t -94.6 -29.03 15.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.549 1.155 . . . . 0.0 108.319 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.724 ' CD1' ' HE2' ' A' ' 54' ' ' MET . 7.3 t80 -117.89 129.51 55.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -146.73 114.77 6.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -145.51 155.22 42.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.554 HG12 ' HB3' ' A' ' 29' ' ' TRP . 7.7 p -136.94 139.1 45.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -110.33 169.94 8.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.34 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.481 ' O ' ' CB ' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -68.97 174.77 4.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.481 ' CB ' ' O ' ' A' ' 49' ' ' LYS . 1.2 t70 80.48 -58.14 0.32 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 147.36 44.69 0.03 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.545 1.153 . . . . 0.0 110.996 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.406 ' O ' HG23 ' A' ' 47' ' ' VAL . 1.1 mtt -111.7 163.53 14.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 0.773 . . . . 0.0 110.971 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -152.61 164.85 30.82 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.521 1.138 . . . . 0.0 111.017 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.724 ' HE2' ' CD1' ' A' ' 44' ' ' TYR . 1.6 ttp -152.7 123.14 7.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 0.769 . . . . 0.0 111.027 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.771 HG23 ' CG2' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -134.39 139.54 47.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 109.338 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.469 ' HG3' ' CE ' ' A' ' 54' ' ' MET . 10.7 mt-10 -112.73 142.54 45.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.275 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.899 ' CE1' ' HB3' ' A' ' 39' ' ' ALA . 45.7 m-85 -114.46 141.24 47.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 110.985 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.551 HD22 ' N ' ' A' ' 58' ' ' LEU . 1.9 mm? -80.53 2.14 26.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.26 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -137.95 132.29 32.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.306 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 30.7 tttt -57.85 -53.44 58.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -49.5 -51.2 37.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.286 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -46.5 -44.44 17.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.466 ' HG2' ' CD1' ' A' ' 67' ' ' LEU . 13.0 ttp -56.91 -63.68 1.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.445 ' HA ' HD12 ' A' ' 67' ' ' LEU . 15.7 mt-10 -54.79 -43.94 73.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.292 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.574 ' CD1' ' HA ' ' A' ' 39' ' ' ALA . 31.5 t80 -50.71 -67.68 0.23 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.127 . . . . 0.0 111.006 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 1.008 ' HB2' ' HB2' ' A' ' 39' ' ' ALA . . . -56.51 -38.08 71.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.724 HD23 HG12 ' A' ' 87' ' ' VAL . 20.6 mt -50.93 -58.57 5.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.567 1.167 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.462 ' O ' ' C ' ' A' ' 69' ' ' LYS . 0.1 OUTLIER -72.35 -66.14 0.69 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 110.285 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.462 ' C ' ' O ' ' A' ' 68' ' ' ARG . 1.7 mptp? -35.49 -61.66 0.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.164 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.854 ' HB2' HG21 ' A' ' 87' ' ' VAL . 21.8 mt -65.48 -62.48 1.5 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.638 ' C ' ' O ' ' A' ' 70' ' ' LEU . 67.3 t0 16.69 76.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.435 ' CB ' ' O ' ' A' ' 71' ' ' ASP . 8.3 t70 77.23 104.49 0.07 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.768 HG23 ' O ' ' A' ' 70' ' ' LEU . 22.7 p -140.88 166.12 25.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.357 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.9 tttt -93.11 99.44 12.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.564 ' CD2' HD23 ' A' ' 23' ' ' LEU . 18.9 t80 -90.63 112.59 24.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.536 1.148 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.579 ' CG ' HG22 ' A' ' 82' ' ' THR . 10.7 ttp180 -97.65 110.14 22.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 110.271 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.7 p -67.64 175.47 2.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.958 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.499 ' CD2' ' HG3' ' A' ' 79' ' ' GLU . 0.7 OUTLIER -72.29 -12.08 60.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 0.0 109.621 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.499 ' HG3' ' CD2' ' A' ' 78' ' ' HIS . 0.6 OUTLIER -85.9 0.8 52.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.374 179.926 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 86.6 -16.49 45.18 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.501 1.125 . . . . 0.0 110.974 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -67.72 144.25 55.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 0.762 . . . . 0.0 110.337 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.579 HG22 ' CG ' ' A' ' 76' ' ' ARG . 65.0 p -126.99 135.38 50.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.433 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 21.1 m -140.27 146.97 39.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.004 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -81.65 111.95 18.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.961 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.608 ' HB ' HG13 ' A' ' 20' ' ' VAL . 13.3 pt -108.62 133.34 53.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.14 153.45 17.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 110.255 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.854 HG21 ' HB2' ' A' ' 70' ' ' LEU . 1.6 t -122.37 119.38 58.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.088 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.541 ' HA ' HD22 ' A' ' 67' ' ' LEU . 40.6 p90 -153.39 154.52 30.72 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 111.024 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.426 ' C ' HD23 ' A' ' 19' ' ' LEU . 18.2 Cg_endo -75.03 174.06 13.45 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.514 1.797 . . . . 0.0 110.985 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.6 ' HB2' HD21 ' A' ' 19' ' ' LEU . 13.2 tt0 -89.0 152.21 21.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 110.283 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -128.84 111.83 13.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.266 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -159.64 -68.01 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.987 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.0 m 55.05 77.16 0.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.015 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 168.04 80.57 0.04 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.545 1.153 . . . . 0.0 111.01 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 60.27 5.37 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.569 1.826 . . . . 0.0 111.041 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.45 140.58 30.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.095 . . . . 0.0 110.008 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 14.6 m 62.13 146.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.989 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.493 1.121 . . . . 0.0 110.994 -179.964 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -55.71 162.8 1.58 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 0.787 . . . . 0.0 109.965 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -122.56 159.68 27.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.981 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 68.93 -109.1 2.73 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.488 1.118 . . . . 0.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -169.03 131.06 1.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 0.766 . . . . 0.0 109.989 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.4 t 62.54 135.71 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.957 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.92 123.27 0.83 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.506 1.129 . . . . 0.0 111.006 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 131.35 -149.76 19.31 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 166.67 28.76 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.531 1.806 . . . . 0.0 111.029 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 11' ' ' THR . 18.2 Cg_endo -75.04 61.98 5.81 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.469 1.773 . . . . 0.0 110.995 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 10' ' ' PRO . 54.5 p -37.66 116.34 0.48 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 110.44 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -138.84 36.02 2.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.331 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.499 ' CZ ' ' HB3' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -92.11 -29.71 16.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 110.33 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.46 ' O ' ' CE2' ' A' ' 16' ' ' PHE . 0.9 OUTLIER -149.46 -47.99 0.14 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.119 . . . . 0.0 110.008 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.588 ' O ' ' CD1' ' A' ' 16' ' ' PHE . 19.1 t70 57.87 59.78 3.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.588 ' CD1' ' O ' ' A' ' 15' ' ' ASP . 27.2 m-85 -148.83 102.05 3.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.991 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.29 176.96 6.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.317 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.703 ' CG2' HG23 ' A' ' 55' ' ' VAL . 24.1 m -133.13 133.63 58.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.776 HD11 ' HG2' ' A' ' 90' ' ' GLU . 13.2 mt -91.78 120.87 32.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.337 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 54.4 t -101.29 141.71 17.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.401 ' O ' ' HA ' ' A' ' 85' ' ' ILE . 93.1 p -149.08 150.21 32.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.009 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.481 ' O ' HG22 ' A' ' 85' ' ' ILE . . . 84.33 44.93 6.38 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.512 1.132 . . . . 0.0 110.966 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.578 HD23 HG21 ' A' ' 85' ' ' ILE . 9.1 mt -91.31 158.27 41.29 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.508 0.769 . . . . 0.0 109.255 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 173.03 15.22 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.496 1.787 . . . . 0.0 110.959 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -20.95 16.29 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.522 1.801 . . . . 0.0 110.974 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.461 ' CB ' ' HB2' ' A' ' 79' ' ' GLU . 1.5 m -104.56 -11.53 16.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.976 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -50.8 128.47 29.35 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.525 1.14 . . . . 0.0 111.02 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 74.4 m -114.73 -179.03 3.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 0.779 . . . . 0.0 109.989 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.532 ' CZ3' ' HG2' ' A' ' 30' ' ' GLN . 55.2 p-90 -83.3 -39.56 20.64 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.532 ' HG2' ' CZ3' ' A' ' 29' ' ' TRP . 71.6 mt-30 -48.93 -73.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 110.311 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -49.32 -40.94 36.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.344 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.611 HD23 ' C ' ' A' ' 32' ' ' LEU . 5.7 tt -55.81 -55.11 36.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.118 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.474 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 2.1 tttm -53.42 -64.01 0.96 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.098 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -41.17 -28.79 0.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.253 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.422 ' N ' ' O ' ' A' ' 33' ' ' LYS . 6.2 t60 -85.38 -56.79 3.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.619 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.69 ' HG3' HG21 ' A' ' 55' ' ' VAL . 26.2 mmm -54.76 -39.62 68.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.979 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.483 ' O ' ' C ' ' A' ' 38' ' ' GLU . 5.8 mmm180 -43.25 -25.09 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.292 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.483 ' C ' ' O ' ' A' ' 37' ' ' ARG . 1.0 OUTLIER -31.68 -40.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.304 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 1.084 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . . . -66.98 -81.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.307 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -145.84 -136.1 2.89 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.503 1.127 . . . . 0.0 111.042 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -88.34 127.03 35.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 0.764 . . . . 0.0 109.257 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 22.4 t -92.22 111.67 24.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.427 ' HB3' HD21 ' A' ' 58' ' ' LEU . 16.4 p -86.43 -26.07 24.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 108.31 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -129.45 133.72 47.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.984 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -146.18 112.33 5.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -145.22 134.53 22.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.0 p -103.38 152.26 6.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.32 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -118.52 155.36 30.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.281 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.433 ' O ' ' CB ' ' A' ' 50' ' ' ASP . 0.1 OUTLIER -68.66 173.55 5.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.329 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.433 ' CB ' ' O ' ' A' ' 49' ' ' LYS . 8.7 t70 76.85 -56.92 0.54 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.463 ' O ' ' N ' ' A' ' 22' ' ' GLY . . . 153.08 43.98 0.02 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.454 1.096 . . . . 0.0 110.999 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -120.8 158.46 27.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 0.786 . . . . 0.0 111.002 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -145.35 167.44 27.44 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.525 1.14 . . . . 0.0 111.042 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.67 ' HE1' ' HG3' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -152.45 115.83 4.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 0.745 . . . . 0.0 111.023 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.703 HG23 ' CG2' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -130.59 147.99 33.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.67 ' HG3' ' HE1' ' A' ' 54' ' ' MET . 2.6 mt-10 -115.1 167.15 11.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.328 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.728 ' CE1' ' HB3' ' A' ' 39' ' ' ALA . 26.6 m-85 -139.34 147.97 42.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 111.024 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.427 HD21 ' HB3' ' A' ' 43' ' ' CYS . 23.9 mt -90.04 10.21 25.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -143.96 135.56 26.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 110.284 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.512 ' HB2' ' CE2' ' A' ' 16' ' ' PHE . 79.5 tttt -60.27 -55.86 28.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -48.9 -50.89 32.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.287 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -44.34 -46.26 9.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.427 ' HA ' ' CD2' ' A' ' 57' ' ' TYR . 17.7 ttp -55.26 -63.89 1.01 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.434 ' HA ' HD12 ' A' ' 67' ' ' LEU . 16.6 mt-10 -57.16 -43.3 82.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.274 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.564 ' CD1' ' HA ' ' A' ' 39' ' ' ALA . 30.8 t80 -50.16 -66.34 0.41 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 110.999 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 1.084 ' HB2' ' HB2' ' A' ' 39' ' ' ALA . . . -57.34 -38.74 74.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.828 HD23 HG12 ' A' ' 87' ' ' VAL . 20.1 mt -50.3 -58.49 5.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.46 ' O ' ' C ' ' A' ' 69' ' ' LYS . 21.0 mmt85 -72.73 -66.62 0.64 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.097 . . . . 0.0 110.334 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 68' ' ' ARG . 0.2 OUTLIER -35.22 -62.06 0.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.709 ' CD1' ' HB1' ' A' ' 66' ' ' ALA . 22.2 mt -64.15 -59.12 4.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.693 ' C ' ' O ' ' A' ' 70' ' ' LEU . 55.4 t0 10.17 93.45 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 20.0 t70 61.2 110.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.606 HG23 ' O ' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -152.48 157.34 41.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.386 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.5 ttpt -80.88 98.94 8.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -86.91 122.18 30.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 111.028 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.8 ttt-85 -88.28 114.22 24.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 110.336 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 60.4 p -69.81 163.27 26.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.994 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.18 -17.55 62.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.618 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.461 ' HB2' ' CB ' ' A' ' 26' ' ' SER . 3.2 mm-40 -93.56 6.05 49.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.268 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 91.64 -37.93 3.3 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.5 1.125 . . . . 0.0 111.019 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -46.27 132.03 10.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 0.737 . . . . 0.0 110.268 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 32.9 p -109.38 149.86 28.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.44 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 53.3 m -155.33 167.35 30.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.973 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -99.49 126.2 45.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.954 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.578 HG21 HD23 ' A' ' 23' ' ' LEU . 13.6 pt -121.46 133.22 68.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.327 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.82 147.6 23.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.333 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.828 HG12 HD23 ' A' ' 67' ' ' LEU . 1.9 t -120.47 114.23 43.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.343 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.575 ' CE1' ' O ' ' A' ' 19' ' ' LEU . 9.4 p90 -141.75 157.5 64.67 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 175.05 11.74 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.47 1.774 . . . . 0.0 111.02 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.776 ' HG2' HD11 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -97.88 147.97 23.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.284 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.428 ' NH1' ' HB3' ' A' ' 91' ' ' ARG . 4.0 ptp180 -88.52 148.29 24.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.263 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -158.96 117.31 2.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.02 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 88.3 p -179.54 166.77 1.42 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.038 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -163.27 147.03 12.37 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.523 1.139 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 74.82 3.9 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.529 1.805 . . . . 0.0 111.014 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 50.3 m -110.84 -60.95 1.76 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.537 1.148 . . . . 0.0 109.999 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 27.1 p -162.82 168.92 20.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.985 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.491 1.119 . . . . 0.0 110.999 -179.952 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.6 t -115.68 -58.26 2.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 0.777 . . . . 0.0 110.032 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.6 m -89.44 107.57 19.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.974 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.85 112.17 3.04 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.539 1.149 . . . . 0.0 110.999 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.1 m -73.18 129.02 37.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 0.77 . . . . 0.0 109.978 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.18 -55.39 32.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.984 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.45 61.72 5.16 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.486 1.116 . . . . 0.0 110.984 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 85.25 -145.27 21.24 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 165.5 31.19 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.455 1.766 . . . . 0.0 110.993 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 123.43 7.87 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.527 1.804 . . . . 0.0 110.968 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.8 t -62.82 152.12 36.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 110.378 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.76 85.06 1.81 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.28 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.24 176.12 7.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 110.294 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -41.09 145.93 0.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.993 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -97.77 38.13 1.33 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -124.93 111.28 15.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 110.968 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.443 ' N ' ' SD ' ' A' ' 63' ' ' MET . 1.7 ptt-85 -141.33 174.71 10.29 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.135 . . . . 0.0 110.326 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.831 HG23 HG23 ' A' ' 55' ' ' VAL . 36.0 m -131.38 130.81 63.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.09 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.591 ' HB2' ' CE2' ' A' ' 88' ' ' TYR . 0.9 OUTLIER -93.14 116.14 28.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.665 HG13 ' HB ' ' A' ' 85' ' ' ILE . 57.9 t -96.54 139.03 20.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.0 m -143.63 143.21 31.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.994 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 51' ' ' GLY . . . 96.96 41.78 3.45 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.494 1.121 . . . . 0.0 111.031 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.579 HD23 ' CD2' ' A' ' 75' ' ' PHE . 6.7 mt -89.34 158.33 46.32 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.523 0.778 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 171.6 18.0 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.508 1.794 . . . . 0.0 111.014 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -24.24 12.98 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.456 1.766 . . . . 0.0 110.983 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.3 m -105.3 -4.82 21.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.019 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -60.5 145.84 46.9 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.488 1.117 . . . . 0.0 110.998 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 45.4 m -122.77 -177.5 3.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 0.784 . . . . 0.0 109.969 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.707 ' HB3' HG22 ' A' ' 47' ' ' VAL . 54.7 p-90 -90.54 -35.87 14.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.14 . . . . 0.0 108.034 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.571 ' HG2' ' CZ3' ' A' ' 29' ' ' TRP . 46.3 mt-30 -49.3 -73.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.34 -40.34 34.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.799 HD23 ' C ' ' A' ' 32' ' ' LEU . 0.8 OUTLIER -55.29 -48.91 73.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.535 ' N ' HD23 ' A' ' 32' ' ' LEU . 19.3 ttpt -55.71 -60.98 2.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -42.69 -27.25 0.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.415 ' N ' ' C ' ' A' ' 33' ' ' LYS . 3.6 t-160 -86.37 -57.36 3.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.63 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.738 ' HG3' HG21 ' A' ' 55' ' ' VAL . 28.0 mmm -54.45 -38.95 66.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 111.011 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.485 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 8.3 mmm-85 -42.25 -26.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.312 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.481 ' C ' ' O ' ' A' ' 37' ' ' ARG . 4.5 mm-40 -31.6 -40.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.31 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 1.034 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . . . -64.8 -81.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -146.21 -127.1 1.83 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.515 1.135 . . . . 0.0 110.992 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -97.0 126.16 41.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 0.779 . . . . 0.0 109.268 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.521 HG11 HG12 ' A' ' 55' ' ' VAL . 9.3 t -94.1 114.07 30.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 45.6 t -86.77 -31.02 21.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 108.283 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.549 ' CG ' ' OE2' ' A' ' 56' ' ' GLU . 31.2 t80 -126.29 137.69 53.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 111.0 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -152.03 114.08 4.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.552 1.157 . . . . 0.0 109.319 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -140.21 162.95 34.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.707 HG22 ' HB3' ' A' ' 29' ' ' TRP . 0.9 OUTLIER -134.4 152.54 33.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.259 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -121.89 169.99 10.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 110.314 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.411 ' O ' ' CB ' ' A' ' 50' ' ' ASP . 1.5 tttm -73.55 175.01 7.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.411 ' CB ' ' O ' ' A' ' 49' ' ' LYS . 11.2 t0 75.74 -57.45 0.57 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.336 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 22' ' ' GLY . . . 151.17 44.18 0.02 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.442 1.089 . . . . 0.0 110.97 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -113.11 160.9 17.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 0.756 . . . . 0.0 110.96 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -155.53 167.48 33.04 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.467 1.104 . . . . 0.0 111.021 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.44 ' HE3' ' HD3' ' A' ' 17' ' ' ARG . 2.7 ttp -153.19 129.89 10.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 0.775 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.831 HG23 HG23 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -138.24 133.17 43.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.269 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.549 ' OE2' ' CG ' ' A' ' 44' ' ' TYR . 32.5 mt-10 -105.84 148.35 27.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.3 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.925 ' CE1' ' HB3' ' A' ' 39' ' ' ALA . 41.9 m-85 -119.92 142.11 49.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 111.022 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 21.7 mt -75.96 -17.62 59.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.432 ' HB3' ' NH1' ' A' ' 59' ' ' ARG . 6.1 mmm180 -118.17 139.01 51.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 110.265 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 40.7 tttt -61.29 -54.27 46.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.335 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -47.75 -53.69 14.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.287 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.401 ' O ' ' HB3' ' A' ' 65' ' ' TYR . 78.2 m-20 -40.19 -51.61 2.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.495 ' HA ' ' CD2' ' A' ' 57' ' ' TYR . 11.1 ttp -51.53 -63.78 1.02 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 111.006 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.475 ' HA ' HD12 ' A' ' 67' ' ' LEU . 21.6 mt-10 -56.57 -45.56 81.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.311 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.574 ' CD1' ' HA ' ' A' ' 39' ' ' ALA . 24.3 t80 -50.55 -64.53 0.78 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.977 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 1.034 ' HB2' ' HB2' ' A' ' 39' ' ' ALA . . . -58.49 -37.96 76.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.917 HD23 HG12 ' A' ' 87' ' ' VAL . 18.5 mt -51.54 -57.59 8.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.351 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.453 ' O ' ' C ' ' A' ' 69' ' ' LYS . 20.8 mmt180 -72.5 -66.26 0.68 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 110.303 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 68' ' ' ARG . 2.8 mptp? -35.83 -61.1 0.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.678 ' O ' HG23 ' A' ' 73' ' ' THR . 20.4 mt -65.86 -63.01 1.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.63 ' C ' ' O ' ' A' ' 70' ' ' LEU . 31.8 t70 18.21 87.94 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.578 ' OD1' ' CD2' ' A' ' 84' ' ' TYR . 31.1 t0 68.27 98.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.558 1.162 . . . . 0.0 109.286 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.678 HG23 ' O ' ' A' ' 70' ' ' LEU . 17.9 p -131.59 163.74 27.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 110.436 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.8 tttt -92.98 100.21 12.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.298 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.579 ' CD2' HD23 ' A' ' 23' ' ' LEU . 38.5 t80 -87.1 126.56 34.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.153 . . . . 0.0 110.955 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 31.9 ttp180 -96.44 114.94 26.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.297 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 31.8 p -71.61 157.83 37.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.987 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -58.4 -18.36 27.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.632 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -92.15 2.85 56.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 110.286 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 93.33 -38.36 3.17 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.515 1.134 . . . . 0.0 110.995 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -42.98 128.66 4.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 0.769 . . . . 0.0 110.285 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.9 p -106.95 147.36 29.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.373 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 32.8 m -151.57 158.07 43.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.003 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.578 ' CD2' ' OD1' ' A' ' 72' ' ' ASP . 0.2 OUTLIER -93.46 119.0 32.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.425 1.078 . . . . 0.0 110.966 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.665 ' HB ' HG13 ' A' ' 20' ' ' VAL . 5.3 pt -112.34 129.88 67.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.89 151.0 20.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.301 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.917 HG12 HD23 ' A' ' 67' ' ' LEU . 2.3 t -121.28 121.81 65.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.591 ' CE2' ' HB2' ' A' ' 19' ' ' LEU . 33.7 p90 -151.92 156.99 34.46 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 110.984 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.46 ' C ' HD23 ' A' ' 19' ' ' LEU . 18.2 Cg_endo -75.0 175.05 11.76 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.493 1.786 . . . . 0.0 111.008 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.417 ' CB ' HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -95.77 147.57 23.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -137.44 112.71 9.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.274 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.23 139.62 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.029 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 67.6 p -81.07 155.66 26.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 109.989 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -170.04 161.8 35.03 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.535 1.147 . . . . 0.0 110.944 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 100.64 1.38 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.465 1.771 . . . . 0.0 111.032 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.5 -58.51 3.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.003 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 15.8 m 59.29 107.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.016 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.531 1.144 . . . . 0.0 111.01 179.998 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 65.53 123.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 0.76 . . . . 0.0 109.994 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.9 t -138.13 153.55 49.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.006 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 119.85 -134.79 10.73 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.56 1.162 . . . . 0.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.3 p -134.43 106.72 7.19 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 0.743 . . . . 0.0 110.004 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.33 165.89 10.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.145 . . . . 0.0 110.015 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.53 157.08 48.99 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.494 1.121 . . . . 0.0 110.987 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -156.83 -145.88 4.32 Favored Glycine 0 CA--C 1.529 0.944 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 153.89 41.77 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.499 1.789 . . . . 0.0 110.993 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.749 ' O ' HG22 ' A' ' 11' ' ' THR . 18.2 Cg_endo -75.01 156.33 42.93 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.532 1.806 . . . . 0.0 110.981 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.749 HG22 ' O ' ' A' ' 10' ' ' PRO . 5.6 t 51.66 172.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.375 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.46 ' C ' ' CD ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -110.07 -142.18 0.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.318 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.486 ' N ' ' CD ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -158.53 -179.77 8.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.283 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -103.38 -73.46 0.67 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.965 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.594 ' OD2' ' CE1' ' A' ' 16' ' ' PHE . 7.8 t70 173.19 -56.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.594 ' CE1' ' OD2' ' A' ' 15' ' ' ASP . 7.7 m-85 -79.36 107.91 12.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 110.987 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.1 ptp85 -124.01 170.7 10.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.298 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.998 HG23 HG23 ' A' ' 55' ' ' VAL . 18.2 m -133.93 122.11 41.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.832 HD11 ' HG2' ' A' ' 90' ' ' GLU . 10.8 mt -82.11 125.99 31.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 50.5 t -111.14 136.49 47.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.339 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 57.1 p -142.73 152.38 42.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.01 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.544 ' C ' HG22 ' A' ' 85' ' ' ILE . . . 87.9 41.65 6.26 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.561 1.163 . . . . 0.0 110.999 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.484 HD23 ' CD2' ' A' ' 75' ' ' PHE . 5.2 mt -88.98 156.9 49.1 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.486 0.757 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 171.66 17.89 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.512 1.796 . . . . 0.0 110.936 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -17.52 19.45 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.478 1.778 . . . . 0.0 111.0 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 45.6 m -106.72 -14.66 14.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 110.05 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -39.24 148.15 0.13 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.511 1.132 . . . . 0.0 111.015 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.2 m -132.04 172.48 12.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 0.773 . . . . 0.0 110.017 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.581 ' CE3' ' N ' ' A' ' 30' ' ' GLN . 31.6 p-90 -83.34 -39.13 21.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 108.014 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.581 ' N ' ' CE3' ' A' ' 29' ' ' TRP . 0.2 OUTLIER -50.05 -71.08 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.336 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.89 -40.48 60.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 0.0 109.335 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.714 HD23 ' C ' ' A' ' 32' ' ' LEU . 3.0 tt -57.16 -51.97 67.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.518 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 13.4 tttt -54.49 -62.14 1.85 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -47.24 -23.39 0.54 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.42 ' N ' ' C ' ' A' ' 33' ' ' LYS . 5.6 t60 -86.82 -51.53 6.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.6 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.676 ' HG3' HG21 ' A' ' 55' ' ' VAL . 27.0 mmm -63.49 -41.01 98.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.135 . . . . 0.0 110.993 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.518 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 1.5 mmm180 -41.43 -26.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.496 ' C ' ' O ' ' A' ' 37' ' ' ARG . 2.9 mm-40 -30.98 -40.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.277 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 1.004 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . . . -63.99 -82.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -151.0 -133.06 2.0 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.506 1.129 . . . . 0.0 111.04 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.724 ' HB3' HD13 ' A' ' 58' ' ' LEU . 1.3 t70 -84.17 126.06 32.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 0.793 . . . . 0.0 109.299 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.415 HG11 ' HB2' ' A' ' 45' ' ' ALA . 73.1 t -86.3 125.26 40.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 6.3 t -90.23 -21.78 21.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 108.369 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.508 ' CD2' ' HE2' ' A' ' 54' ' ' MET . 76.0 t80 -154.69 145.67 22.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 111.016 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.415 ' HB2' HG11 ' A' ' 42' ' ' VAL . . . -152.39 117.89 5.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.401 ' HB2' ' CE2' ' A' ' 44' ' ' TYR . 1.1 t70 -147.85 160.65 42.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.123 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.5 p -135.6 145.0 32.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 109.312 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -119.25 169.89 9.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 110.285 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.409 ' O ' ' CB ' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -69.71 -177.7 1.31 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.276 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.409 ' CB ' ' O ' ' A' ' 49' ' ' LYS . 8.2 t70 75.51 -57.63 0.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.436 1.085 . . . . 0.0 109.331 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 22' ' ' GLY . . . 142.88 44.61 0.05 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.532 1.145 . . . . 0.0 111.007 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 6.7 mtt -125.92 158.48 35.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.442 0.731 . . . . 0.0 110.958 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -153.07 173.38 31.97 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.552 1.158 . . . . 0.0 110.992 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.508 ' HE2' ' CD2' ' A' ' 44' ' ' TYR . 4.0 ttp -152.08 136.8 17.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 0.78 . . . . 0.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.998 HG23 HG23 ' A' ' 18' ' ' VAL . 0.1 OUTLIER -137.97 142.38 36.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -120.26 139.53 52.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.318 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.505 ' CE1' ' HB3' ' A' ' 39' ' ' ALA . 40.8 m-85 -113.7 167.58 10.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 111.008 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.724 HD13 ' HB3' ' A' ' 41' ' ' ASP . 2.1 mp -94.66 -26.15 16.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.267 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.9 mmm-85 -112.59 140.74 47.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.329 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 65.5 tttt -59.88 -54.44 46.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.342 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -44.37 -54.14 6.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.258 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.408 ' O ' ' HB3' ' A' ' 65' ' ' TYR . 70.5 m-20 -40.48 -51.73 2.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 109.3 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.475 ' HG3' HG13 ' A' ' 18' ' ' VAL . 22.4 ttp -52.9 -65.34 0.58 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 111.035 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -53.84 -46.23 71.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.155 . . . . 0.0 110.289 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.59 ' CD1' ' HA ' ' A' ' 39' ' ' ALA . 25.1 t80 -50.21 -65.7 0.52 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 1.004 ' HB2' ' HB2' ' A' ' 39' ' ' ALA . . . -57.17 -38.71 74.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.85 HD23 HG12 ' A' ' 87' ' ' VAL . 20.5 mt -51.22 -56.79 11.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.465 ' O ' ' C ' ' A' ' 69' ' ' LYS . 2.4 mmt180 -73.1 -67.43 0.57 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.281 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.465 ' C ' ' O ' ' A' ' 68' ' ' ARG . 0.2 OUTLIER -34.92 -60.45 0.45 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.831 ' O ' HG23 ' A' ' 73' ' ' THR . 19.8 mt -66.13 -62.29 1.57 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.657 ' C ' ' O ' ' A' ' 70' ' ' LEU . 22.7 t0 15.89 89.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.453 ' N ' ' OD1' ' A' ' 72' ' ' ASP . 0.2 OUTLIER 65.52 101.17 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.439 1.087 . . . . 0.0 109.329 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.831 HG23 ' O ' ' A' ' 70' ' ' LEU . 6.1 p -133.83 170.59 15.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.424 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.3 tttt -96.34 99.56 11.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.484 ' CD2' HD23 ' A' ' 23' ' ' LEU . 40.8 t80 -88.56 133.32 34.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.988 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 13.2 ttp180 -112.13 115.5 28.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.307 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 92.8 p -67.89 174.28 3.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.005 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.411 ' CD2' ' HG2' ' A' ' 79' ' ' GLU . 0.3 OUTLIER -74.23 -8.56 56.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.616 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.411 ' HG2' ' CD2' ' A' ' 78' ' ' HIS . 7.0 mm-40 -90.69 -5.37 55.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 110.3 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 98.23 -26.61 22.92 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.531 1.145 . . . . 0.0 111.02 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -53.99 156.32 3.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 0.749 . . . . 0.0 110.29 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.7 p -132.51 146.76 52.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 110.354 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 39.1 m -151.92 167.58 27.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 109.988 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -103.39 116.9 33.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.994 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.544 HG22 ' C ' ' A' ' 22' ' ' GLY . 11.6 pt -113.87 133.09 60.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.338 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.419 ' N ' ' HD3' ' A' ' 86' ' ' ARG . 0.0 OUTLIER -90.88 154.3 19.59 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.465 1.103 . . . . 0.0 110.301 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.85 HG12 HD23 ' A' ' 67' ' ' LEU . 1.8 t -123.11 113.55 38.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.133 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.49 ' CE2' ' HB2' ' A' ' 19' ' ' LEU . 8.7 p90 -139.68 157.17 70.53 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.991 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 167.19 27.6 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.506 1.793 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.832 ' HG2' HD11 ' A' ' 19' ' ' LEU . 1.6 tm-20 -84.99 111.65 19.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.33 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -117.08 161.45 19.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.2 m 50.74 97.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.018 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 21.3 t -173.88 79.65 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.999 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -95.85 -178.34 36.39 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.501 1.126 . . . . 0.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 134.27 17.55 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.468 1.773 . . . . 0.0 111.0 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.71 133.69 55.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.997 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 5.8 t 72.15 -67.93 0.24 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.962 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 O-C-N 124.426 1.079 . . . . 0.0 111.013 -179.982 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.4 m 57.29 109.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 0.795 . . . . 0.0 110.017 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.6 t -114.05 95.01 5.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.981 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.16 -138.46 5.34 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.465 1.103 . . . . 0.0 110.999 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.9 p -156.21 130.62 8.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 0.784 . . . . 0.0 109.987 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.3 p -78.17 119.62 21.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.015 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.58 92.43 0.16 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.552 1.158 . . . . 0.0 110.948 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -156.11 -92.87 0.09 OUTLIER Glycine 0 CA--C 1.531 1.043 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.402 ' HA ' ' HD3' ' A' ' 10' ' ' PRO . 18.1 Cg_endo -75.04 150.6 38.21 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.495 1.787 . . . . 0.0 110.972 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 9' ' ' PRO . 18.2 Cg_endo -74.98 135.84 19.66 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.472 1.775 . . . . 0.0 110.951 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.453 HG21 ' OE1' ' A' ' 56' ' ' GLU . 4.8 t -76.0 116.54 16.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.399 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.74 62.06 1.95 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.286 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.9 mpt_? -128.72 172.63 11.07 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.303 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 57.0 m -42.15 162.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.544 1.152 . . . . 0.0 109.94 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.583 ' O ' ' CD1' ' A' ' 16' ' ' PHE . 25.1 m-20 -112.2 70.3 0.71 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.459 1.099 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.583 ' CD1' ' O ' ' A' ' 15' ' ' ASP . 28.3 m-85 -148.89 98.28 2.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 110.988 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 11.8 ptp180 -121.9 177.8 5.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 110.259 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.905 HG23 HG23 ' A' ' 55' ' ' VAL . 12.6 m -135.05 122.64 37.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.0 mt -82.25 128.98 34.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.272 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.636 HG13 ' HB ' ' A' ' 85' ' ' ILE . 2.6 t -120.47 145.47 26.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.6 147.44 27.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.017 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 99.57 27.8 7.84 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.501 1.125 . . . . 0.0 111.038 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.482 HD12 ' O ' ' A' ' 51' ' ' GLY . 9.8 mt -70.54 155.95 92.65 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.485 0.756 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.41 ' HG2' ' CA ' ' A' ' 27' ' ' GLY . 18.3 Cg_endo -74.99 172.56 16.11 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.487 1.783 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -14.2 21.3 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.466 1.772 . . . . 0.0 111.009 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.8 m -112.07 -22.67 10.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.989 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.41 ' CA ' ' HG2' ' A' ' 24' ' ' PRO . . . -39.89 148.96 0.15 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.457 1.098 . . . . 0.0 111.053 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 93.3 p -134.82 169.03 17.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 0.771 . . . . 0.0 109.978 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.603 ' HB3' HG23 ' A' ' 47' ' ' VAL . 32.0 p-90 -72.38 -38.1 68.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 108.009 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.549 ' N ' ' CE3' ' A' ' 29' ' ' TRP . 0.0 OUTLIER -54.29 -71.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.292 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.51 -33.61 45.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.742 HD23 ' C ' ' A' ' 32' ' ' LEU . 2.1 tt -61.76 -51.72 67.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.54 1.15 . . . . 0.0 109.261 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.489 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 17.5 ttpt -55.5 -59.98 4.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.263 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -40.36 -29.21 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 109.295 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.435 ' N ' ' O ' ' A' ' 33' ' ' LYS . 3.5 t-160 -85.16 -60.53 2.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.639 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.667 ' HG3' HG21 ' A' ' 55' ' ' VAL . 28.7 mmm -50.98 -37.68 46.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.998 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.489 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 6.9 mmm180 -43.84 -25.14 0.17 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.46 1.1 . . . . 0.0 110.253 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.478 ' C ' ' O ' ' A' ' 37' ' ' ARG . 5.8 mm-40 -31.92 -40.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.302 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 1.071 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . . . -60.38 -72.29 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -156.73 -111.32 0.34 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.499 1.124 . . . . 0.0 110.996 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -114.37 121.74 44.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 0.777 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.581 HG11 HG12 ' A' ' 55' ' ' VAL . 14.2 t -85.58 127.8 39.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.605 ' HB2' HD21 ' A' ' 58' ' ' LEU . 19.2 t -89.66 -34.14 16.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 108.314 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 58.6 t80 -143.84 142.75 31.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -148.13 119.99 8.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.416 1.072 . . . . 0.0 109.297 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -134.96 166.8 22.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.603 HG23 ' HB3' ' A' ' 29' ' ' TRP . 54.8 t -137.34 142.91 35.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -117.65 166.54 12.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.274 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.565 ' O ' ' CB ' ' A' ' 50' ' ' ASP . 48.6 pttt -66.14 165.73 13.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.565 ' CB ' ' O ' ' A' ' 49' ' ' LYS . 4.0 t70 88.12 -34.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.482 ' O ' HD12 ' A' ' 23' ' ' LEU . . . 125.89 5.95 6.14 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.479 1.112 . . . . 0.0 110.985 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.4 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER -74.05 157.72 35.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 0.754 . . . . 0.0 110.999 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -149.05 163.79 29.16 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.515 1.134 . . . . 0.0 111.044 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -148.14 138.11 22.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 0.77 . . . . 0.0 110.988 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.905 HG23 HG23 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -144.26 121.65 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.453 ' OE1' HG21 ' A' ' 11' ' ' THR . 0.8 OUTLIER -99.52 116.89 32.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.267 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.766 ' CE1' ' HB3' ' A' ' 39' ' ' ALA . 27.6 m-85 -86.02 176.43 8.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 111.032 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.605 HD21 ' HB2' ' A' ' 43' ' ' CYS . 13.5 mt -101.66 -24.43 14.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.16 . . . . 0.0 109.33 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -121.87 143.59 49.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 69.3 tttt -59.92 -54.64 43.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.273 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.15 -55.31 2.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.266 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.558 ' HB3' ' HB1' ' A' ' 39' ' ' ALA . 49.9 m-20 -43.01 -50.99 5.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.122 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.492 ' HG3' HG13 ' A' ' 18' ' ' VAL . 16.3 ttp -50.31 -65.67 0.52 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.974 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.424 ' HA ' HD12 ' A' ' 67' ' ' LEU . 17.6 mt-10 -56.74 -45.35 82.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.272 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.583 ' CD1' ' HA ' ' A' ' 39' ' ' ALA . 20.0 t80 -50.7 -63.41 1.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.984 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 1.071 ' HB2' ' HB2' ' A' ' 39' ' ' ALA . . . -59.37 -37.39 77.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.94 HD23 HG12 ' A' ' 87' ' ' VAL . 18.9 mt -52.2 -56.21 16.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.448 ' O ' ' C ' ' A' ' 69' ' ' LYS . 22.2 mmt180 -73.18 -66.3 0.7 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 110.315 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 68' ' ' ARG . 1.8 mptm? -36.5 -60.53 0.58 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.86 ' HB2' HG21 ' A' ' 87' ' ' VAL . 18.1 mt -65.98 -62.28 1.58 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.635 ' C ' ' O ' ' A' ' 70' ' ' LEU . 38.7 t70 17.7 79.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 18.9 t0 73.68 104.92 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.739 HG23 ' O ' ' A' ' 70' ' ' LEU . 16.0 p -138.38 169.33 17.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.443 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.2 ttmt -95.98 98.95 10.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -85.81 132.29 34.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 110.982 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.7 ttp180 -108.01 111.56 23.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 110.334 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 85.3 p -64.0 172.12 2.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.976 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -72.89 -13.55 61.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.604 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -92.63 -4.97 52.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 110.273 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 102.66 -34.3 5.85 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.557 1.161 . . . . 0.0 111.037 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -42.83 149.22 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.562 0.801 . . . . 0.0 110.281 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.0 p -128.38 146.46 50.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 110.426 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 35.5 m -152.94 161.06 43.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 110.019 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -100.09 109.89 22.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.963 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.636 ' HB ' HG13 ' A' ' 20' ' ' VAL . 6.7 pt -106.52 130.48 58.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.335 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.7 148.69 22.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.33 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.94 HG12 HD23 ' A' ' 67' ' ' LEU . 2.2 t -114.56 119.3 61.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 109.301 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.431 ' HA ' HD22 ' A' ' 67' ' ' LEU . 13.7 p90 -148.51 157.63 41.41 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.537 1.148 . . . . 0.0 110.982 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 179.74 5.78 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.535 1.808 . . . . 0.0 111.004 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.456 ' O ' ' NE ' ' A' ' 91' ' ' ARG . 0.2 OUTLIER -82.97 148.2 27.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 0.0 110.302 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.456 ' NE ' ' O ' ' A' ' 90' ' ' GLU . 0.0 OUTLIER 38.51 -158.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.255 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.8 t -153.05 121.66 6.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.019 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 50.55 85.28 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 110.017 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -84.72 -139.35 4.46 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.511 1.132 . . . . 0.0 111.018 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 115.12 4.19 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.435 1.756 . . . . 0.0 111.0 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 58.9 m -66.12 161.09 22.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.007 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 63.18 165.51 0.12 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 110.004 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.944 0 O-C-N 124.48 1.113 . . . . 0.0 111.011 -179.984 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.2 t -144.86 87.54 1.85 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 0.781 . . . . 0.0 109.947 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.63 -58.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.022 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.52 71.1 0.01 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.484 1.115 . . . . 0.0 110.999 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -131.07 143.22 50.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 0.788 . . . . 0.0 109.994 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 t -46.48 132.69 10.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.022 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.36 -146.75 4.42 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.459 1.1 . . . . 0.0 110.992 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 54.82 -145.91 28.24 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 164.22 33.81 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.535 1.808 . . . . 0.0 111.0 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 155.24 43.15 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.522 1.801 . . . . 0.0 110.983 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.0 t -48.15 164.0 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.355 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.88 116.76 0.17 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.293 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.89 170.86 14.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.132 . . . . 0.0 110.294 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 37.5 m -69.78 -90.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.979 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -168.25 -47.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.262 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.497 ' CE2' ' HB2' ' A' ' 60' ' ' LYS . 30.1 m-85 -49.33 110.02 0.33 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 111.003 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -132.61 177.96 7.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.871 HG23 HG23 ' A' ' 55' ' ' VAL . 30.1 m -133.32 118.51 31.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.465 ' O ' ' CD1' ' A' ' 88' ' ' TYR . 30.0 mt -82.67 126.43 32.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.57 HG12 HD21 ' A' ' 23' ' ' LEU . 84.3 t -117.23 139.83 42.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 86.9 p -146.78 127.41 14.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.991 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 130.0 -0.95 5.8 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.525 1.14 . . . . 0.0 111.055 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.812 HD13 HG21 ' A' ' 85' ' ' ILE . 3.8 mm? -40.67 155.24 0.2 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.524 0.779 . . . . 0.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.505 ' HG2' ' CA ' ' A' ' 27' ' ' GLY . 18.3 Cg_endo -74.96 174.36 12.9 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.466 1.772 . . . . 0.0 111.029 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -18.08 19.07 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.518 1.799 . . . . 0.0 111.023 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 41.6 m -120.61 9.18 10.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 110.019 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.505 ' CA ' ' HG2' ' A' ' 24' ' ' PRO . . . -53.93 161.53 3.79 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.543 1.152 . . . . 0.0 110.999 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.5 m -143.03 147.17 34.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 0.759 . . . . 0.0 109.953 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.596 ' CE3' ' N ' ' A' ' 30' ' ' GLN . 53.8 p-90 -62.3 -49.08 77.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 108.023 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.596 ' N ' ' CE3' ' A' ' 29' ' ' TRP . 0.0 OUTLIER -42.56 -72.34 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.266 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.07 -47.31 68.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.747 HD12 HD11 ' A' ' 23' ' ' LEU . 3.5 tt -46.99 -53.59 12.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.659 ' HG3' HG11 ' A' ' 42' ' ' VAL . 16.1 ttpt -55.34 -60.19 3.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 33' ' ' LYS . 84.8 m-20 -36.8 -33.16 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.457 ' N ' ' O ' ' A' ' 33' ' ' LYS . 4.4 t60 -80.8 -52.92 6.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.583 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.705 ' HG3' HG21 ' A' ' 55' ' ' VAL . 31.5 mmm -56.49 -40.3 74.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.51 ' HG2' HG21 ' A' ' 42' ' ' VAL . 10.4 mtm180 -40.41 -27.54 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.306 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.49 ' C ' ' O ' ' A' ' 37' ' ' ARG . 4.6 mm-40 -30.92 -40.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.293 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 1.054 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . . . -65.72 -78.93 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -150.95 -132.73 1.97 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.527 1.142 . . . . 0.0 111.011 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -90.19 123.18 33.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 0.79 . . . . 0.0 109.264 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.659 HG11 ' HG3' ' A' ' 33' ' ' LYS . 3.5 t -88.4 124.15 41.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.635 ' HB2' HD21 ' A' ' 58' ' ' LEU . 37.0 t -91.56 -29.02 17.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 108.245 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.564 ' CD1' ' HE2' ' A' ' 54' ' ' MET . 19.4 t80 -138.08 137.34 37.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 111.013 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.431 ' HB1' ' HB2' ' A' ' 33' ' ' LYS . . . -152.43 121.08 6.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.333 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -153.5 171.2 19.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.57 HG12 ' HB3' ' A' ' 29' ' ' TRP . 1.5 p -139.95 141.26 34.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -107.07 157.5 17.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.115 . . . . 0.0 110.305 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.4 ' O ' ' CB ' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -52.63 173.09 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.4 ' CB ' ' O ' ' A' ' 49' ' ' LYS . 0.9 OUTLIER 74.97 -57.04 0.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 109.307 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 148.31 44.01 0.03 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.53 1.144 . . . . 0.0 110.979 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.5 ' O ' HG23 ' A' ' 47' ' ' VAL . 0.4 OUTLIER -106.09 153.27 22.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 0.778 . . . . 0.0 110.995 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -143.44 156.46 26.57 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.526 1.141 . . . . 0.0 110.957 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.564 ' HE2' ' CD1' ' A' ' 44' ' ' TYR . 2.5 ttp -150.43 121.75 7.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 0.749 . . . . 0.0 110.984 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.871 HG23 HG23 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -132.28 137.23 54.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.459 ' HG3' ' CE ' ' A' ' 54' ' ' MET . 3.0 mt-10 -115.41 129.75 56.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.305 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.851 ' CE1' ' HB3' ' A' ' 39' ' ' ALA . 45.0 m-85 -98.78 160.24 14.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.635 HD21 ' HB2' ' A' ' 43' ' ' CYS . 18.3 mt -90.02 -19.62 24.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 21.4 mmt180 -118.68 137.54 53.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.152 . . . . 0.0 110.327 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.497 ' HB2' ' CE2' ' A' ' 16' ' ' PHE . 17.0 tttt -56.97 -53.1 61.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -45.98 -54.66 7.97 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.505 1.128 . . . . 0.0 110.287 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -41.34 -49.05 3.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.423 ' HG3' HG13 ' A' ' 18' ' ' VAL . 12.3 ttp -52.9 -68.63 0.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 111.002 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.432 ' HA ' HD12 ' A' ' 67' ' ' LEU . 13.5 mt-10 -53.93 -44.25 70.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 110.288 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.575 ' CD1' ' HA ' ' A' ' 39' ' ' ALA . 32.6 t80 -50.58 -67.84 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 111.015 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 1.054 ' HB2' ' HB2' ' A' ' 39' ' ' ALA . . . -56.77 -37.63 71.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.924 HD23 HG12 ' A' ' 87' ' ' VAL . 19.7 mt -50.78 -59.99 3.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.453 ' O ' ' C ' ' A' ' 69' ' ' LYS . 9.6 mtt85 -71.91 -65.28 0.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.263 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 68' ' ' ARG . 8.1 mptt -35.78 -61.88 0.45 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.82 ' O ' HG23 ' A' ' 73' ' ' THR . 21.6 mt -65.56 -63.67 1.04 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.088 . . . . 0.0 109.273 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.622 ' C ' ' O ' ' A' ' 70' ' ' LEU . 33.1 t70 20.33 87.48 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 23.2 t0 65.02 104.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.15 . . . . 0.0 109.317 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.82 HG23 ' O ' ' A' ' 70' ' ' LEU . 7.2 p -139.93 169.49 17.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.103 . . . . 0.0 110.381 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 16.7 ttpt -94.1 98.26 10.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.108 . . . . 0.0 109.363 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.531 ' CE1' ' HA ' ' A' ' 32' ' ' LEU . 9.4 t80 -85.96 132.39 34.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 111.002 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.0 ttt180 -109.23 111.11 22.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 99.1 p -68.31 -175.1 0.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.984 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -81.06 -12.63 59.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.632 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -95.87 0.81 52.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 0.0 110.323 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.516 ' O ' HG23 ' A' ' 82' ' ' THR . . . 90.26 -32.17 5.07 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.52 1.137 . . . . 0.0 110.986 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -49.8 115.78 1.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.434 0.726 . . . . 0.0 110.309 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.516 HG23 ' O ' ' A' ' 80' ' ' GLY . 20.5 p -99.52 152.68 19.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.378 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.2 m -154.84 163.0 40.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 110.02 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -96.27 110.39 22.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.812 HG21 HD13 ' A' ' 23' ' ' LEU . 6.7 pt -108.84 129.93 62.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.05 149.92 21.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.286 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.924 HG12 HD23 ' A' ' 67' ' ' LEU . 2.2 t -116.73 119.21 61.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.465 ' CD1' ' O ' ' A' ' 19' ' ' LEU . 24.3 p90 -146.62 158.33 46.57 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -173.69 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.515 1.797 . . . . 0.0 110.99 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.68 55.39 0.79 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 110.315 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 47.5 92.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.348 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 35.0 p -143.79 150.76 39.03 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.995 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 51.6 m -164.0 158.81 20.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.014 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 98.48 155.1 29.27 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.494 1.121 . . . . 0.0 110.981 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 141.87 27.21 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.508 1.793 . . . . 0.0 110.985 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 58.9 p -110.8 133.77 53.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 110.054 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -172.32 98.07 0.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.03 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.472 1.107 . . . . 0.0 111.009 -179.998 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.7 m -69.43 163.41 25.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 0.748 . . . . 0.0 109.992 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.0 p -132.87 110.1 10.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.01 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.07 66.9 0.13 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.498 1.124 . . . . 0.0 111.026 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 t -130.85 -59.13 1.01 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 0.744 . . . . 0.0 110.031 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.05 125.79 21.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.142 . . . . 0.0 109.974 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.63 -90.98 0.1 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.437 1.086 . . . . 0.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 63.19 142.7 0.01 OUTLIER Glycine 0 CA--C 1.53 0.977 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 166.64 28.79 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.445 1.76 . . . . 0.0 111.039 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 127.19 10.5 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.567 1.825 . . . . 0.0 111.034 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.4 m -104.92 144.17 32.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.409 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.419 ' HG2' ' NH2' ' A' ' 17' ' ' ARG . 10.8 mtm180 -123.48 86.24 2.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.262 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.9 mtp85 -61.44 -18.65 59.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 110.292 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.0 m -126.75 -96.97 0.42 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.969 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 42.1 t0 177.81 -49.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.42 ' HA ' ' SD ' ' A' ' 63' ' ' MET . 12.0 m-85 -82.37 110.07 17.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.57 1.169 . . . . 0.0 111.008 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.423 ' NH1' ' HG3' ' A' ' 90' ' ' GLU . 0.3 OUTLIER -136.22 177.02 8.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.284 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.804 HG23 HG23 ' A' ' 55' ' ' VAL . 31.5 m -134.96 123.9 41.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 13.0 mt -86.22 120.71 27.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.648 HG12 HD21 ' A' ' 23' ' ' LEU . 84.3 t -107.92 138.39 34.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 83.5 p -148.39 128.61 13.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.983 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.459 ' C ' HG22 ' A' ' 85' ' ' ILE . . . 127.53 1.06 6.64 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.566 1.166 . . . . 0.0 110.989 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.674 HD11 HD12 ' A' ' 32' ' ' LEU . 3.9 mm? -41.03 154.3 0.22 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.471 0.748 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.5 ' HG2' ' CA ' ' A' ' 27' ' ' GLY . 18.4 Cg_endo -74.98 174.92 11.95 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.487 1.783 . . . . 0.0 111.046 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -19.11 18.27 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.468 1.773 . . . . 0.0 111.037 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.0 m -120.77 12.07 11.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.009 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.5 ' CA ' ' HG2' ' A' ' 24' ' ' PRO . . . -57.4 162.98 7.7 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.535 1.147 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.2 m -143.1 149.07 37.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 0.767 . . . . 0.0 109.981 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.629 ' HB3' HG12 ' A' ' 47' ' ' VAL . 48.0 p-90 -65.41 -40.97 94.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 107.992 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.569 ' HG3' ' CZ3' ' A' ' 29' ' ' TRP . 2.3 tt0 -50.02 -68.75 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.288 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.419 ' HB3' ' CE1' ' A' ' 75' ' ' PHE . 0.8 OUTLIER -55.31 -44.1 75.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.792 HD23 ' C ' ' A' ' 32' ' ' LEU . 1.3 tt -50.65 -49.47 56.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.472 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 9.6 tttt -57.77 -60.47 3.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 0.0 109.249 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -40.34 -29.37 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.432 ' N ' ' O ' ' A' ' 33' ' ' LYS . 6.7 t60 -82.75 -64.63 1.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.63 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.651 ' HG3' HG21 ' A' ' 55' ' ' VAL . 29.9 mmm -46.67 -39.37 11.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 111.035 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.485 ' O ' ' C ' ' A' ' 38' ' ' GLU . 4.8 mmm180 -43.76 -24.88 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 110.33 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.485 ' C ' ' O ' ' A' ' 37' ' ' ARG . 0.4 OUTLIER -31.77 -40.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.285 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 1.071 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . . . -64.55 -78.42 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.108 . . . . 0.0 109.338 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -149.13 -124.75 1.36 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.551 1.157 . . . . 0.0 110.999 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -98.96 124.43 43.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 0.759 . . . . 0.0 109.289 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.472 HG11 HG12 ' A' ' 55' ' ' VAL . 21.4 t -92.43 121.43 43.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 0.0 109.261 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.447 ' HB2' HD21 ' A' ' 58' ' ' LEU . 42.9 t -88.67 -29.32 19.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 108.298 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.716 ' CD1' ' HE2' ' A' ' 54' ' ' MET . 12.1 t80 -133.65 134.38 43.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.986 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -152.23 126.77 9.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.454 ' HA ' ' CB ' ' A' ' 29' ' ' TRP . 0.4 OUTLIER -159.15 173.27 16.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.629 HG12 ' HB3' ' A' ' 29' ' ' TRP . 2.3 p -141.6 139.32 31.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -105.46 162.68 13.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.328 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.37 174.02 0.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.8 t70 74.05 -57.63 0.61 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.417 1.073 . . . . 0.0 109.306 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 148.6 44.7 0.03 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.462 1.101 . . . . 0.0 110.977 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.446 ' O ' HG23 ' A' ' 47' ' ' VAL . 2.9 mtp -111.12 164.01 13.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 0.764 . . . . 0.0 111.0 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -158.41 166.74 34.35 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.553 1.158 . . . . 0.0 110.954 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.716 ' HE2' ' CD1' ' A' ' 44' ' ' TYR . 2.3 ttp -154.79 121.58 5.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 0.786 . . . . 0.0 110.974 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.804 HG23 HG23 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -129.09 135.07 62.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.272 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.408 ' HG2' ' CB ' ' A' ' 17' ' ' ARG . 2.7 mt-10 -113.0 127.58 56.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.246 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.863 ' CE1' ' HB3' ' A' ' 39' ' ' ALA . 37.3 m-85 -96.56 153.82 17.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 111.023 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.447 HD21 ' HB2' ' A' ' 43' ' ' CYS . 19.2 mt -84.97 -27.5 26.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -110.08 138.82 45.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 110.304 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 48.3 tttt -58.58 -55.86 29.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.06 -54.3 5.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.299 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -42.15 -48.7 4.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.449 ' HA ' ' CD2' ' A' ' 57' ' ' TYR . 16.8 ttp -52.6 -67.35 0.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -55.27 -44.29 75.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.269 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.578 ' CD1' ' HA ' ' A' ' 39' ' ' ALA . 29.4 t80 -50.54 -66.96 0.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.998 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 1.071 ' HB2' ' HB2' ' A' ' 39' ' ' ALA . . . -57.27 -38.05 73.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.901 HD23 HG12 ' A' ' 87' ' ' VAL . 19.0 mt -50.85 -59.07 4.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.257 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.46 ' O ' ' C ' ' A' ' 69' ' ' LYS . 26.6 mmt180 -72.24 -65.95 0.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.31 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 68' ' ' ARG . 3.0 mptp? -35.5 -61.76 0.44 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.544 1.153 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.796 ' O ' HG23 ' A' ' 73' ' ' THR . 22.0 mt -65.45 -62.66 1.4 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.641 ' C ' ' O ' ' A' ' 70' ' ' LEU . 31.1 t70 17.09 81.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 12.6 t0 73.32 103.24 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.796 HG23 ' O ' ' A' ' 70' ' ' LEU . 18.1 p -140.17 167.79 21.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 110.355 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.9 ttpt -95.64 99.02 10.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.435 1.084 . . . . 0.0 109.276 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.522 ' CE1' ' HA ' ' A' ' 32' ' ' LEU . 11.9 t80 -87.27 119.94 28.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 111.013 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 50.2 ttt180 -96.57 109.71 22.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.31 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 96.4 p -65.74 -173.1 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.592 1.183 . . . . 0.0 110.008 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.528 ' CD2' ' HG2' ' A' ' 79' ' ' GLU . 0.2 OUTLIER -81.76 -10.71 59.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.588 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.528 ' HG2' ' CD2' ' A' ' 78' ' ' HIS . 3.9 mm-40 -96.76 3.04 52.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.112 . . . . 0.0 110.312 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.434 ' O ' HG23 ' A' ' 82' ' ' THR . . . 89.57 -33.26 4.43 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.509 1.131 . . . . 0.0 111.018 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -50.52 132.32 25.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 0.788 . . . . 0.0 110.33 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.434 HG23 ' O ' ' A' ' 80' ' ' GLY . 65.8 p -118.63 153.55 34.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.132 . . . . 0.0 110.384 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.1 m -152.67 160.83 43.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.012 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -90.98 106.1 18.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.104 . . . . 0.0 111.014 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.511 HG21 HD13 ' A' ' 23' ' ' LEU . 3.3 pt -105.84 129.52 58.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.77 155.76 18.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.337 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.901 HG12 HD23 ' A' ' 67' ' ' LEU . 2.3 t -122.86 119.47 58.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.346 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 23.9 p90 -148.73 156.74 41.45 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 110.975 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 177.3 8.79 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.55 1.816 . . . . 0.0 111.027 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.423 ' HG3' ' NH1' ' A' ' 17' ' ' ARG . 0.4 OUTLIER -80.57 128.08 33.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.313 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 8.1 ttt180 -106.51 139.98 40.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.328 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 6.4 t 65.15 82.63 0.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 110.01 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 75.7 m -74.47 130.17 39.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.437 1.086 . . . . 0.0 109.976 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -59.21 151.8 34.47 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.483 1.114 . . . . 0.0 111.01 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 -178.71 4.33 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.482 1.78 . . . . 0.0 111.032 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -151.65 94.87 2.05 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.524 1.14 . . . . 0.0 109.988 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.86 131.29 53.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 110.014 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.493 1.121 . . . . 0.0 110.985 179.976 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.15 95.32 9.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 0.753 . . . . 0.0 110.014 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.03 126.13 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 110.021 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.67 109.27 0.83 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.472 1.108 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.4 t -92.4 171.09 9.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 0.759 . . . . 0.0 110.017 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -132.18 81.77 1.98 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.11 . . . . 0.0 109.999 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.34 145.71 15.88 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.519 1.137 . . . . 0.0 110.963 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 110.82 92.85 2.17 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.411 ' HA ' ' HD3' ' A' ' 10' ' ' PRO . 18.2 Cg_endo -75.0 150.61 38.42 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.498 1.789 . . . . 0.0 111.007 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 9' ' ' PRO . 18.2 Cg_endo -75.06 105.12 2.02 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.51 1.795 . . . . 0.0 111.001 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.448 HG22 ' N ' ' A' ' 12' ' ' ARG . 2.9 m -59.69 168.35 1.72 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.427 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.448 ' N ' HG22 ' A' ' 11' ' ' THR . 0.0 OUTLIER -105.99 -151.02 0.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.286 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.404 ' H ' ' CD ' ' A' ' 12' ' ' ARG . 24.1 mmm-85 71.0 2.85 4.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.284 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.1 p 174.44 163.82 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.99 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -137.11 18.99 2.98 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.444 1.09 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -125.74 107.72 10.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.995 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.515 HH22 ' N ' ' A' ' 90' ' ' GLU . 0.0 OUTLIER -135.15 179.25 6.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 110.311 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.697 ' CG2' HG23 ' A' ' 55' ' ' VAL . 14.6 m -134.08 148.87 30.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.544 1.153 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.7 mt -99.95 120.9 40.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.421 HG13 ' HB ' ' A' ' 85' ' ' ILE . 76.7 t -105.58 134.67 46.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.42 ' O ' ' HA ' ' A' ' 85' ' ' ILE . 11.2 p -140.89 152.69 45.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.019 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.468 ' C ' HG22 ' A' ' 85' ' ' ILE . . . 82.61 45.82 6.67 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.455 1.097 . . . . 0.0 110.957 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.518 ' HG ' HG21 ' A' ' 85' ' ' ILE . 3.8 mt -91.39 158.47 40.84 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.538 0.787 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 171.76 17.69 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.446 1.761 . . . . 0.0 111.025 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -23.63 13.59 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.526 1.803 . . . . 0.0 111.031 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.1 m -102.39 -3.8 26.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.036 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -56.39 147.06 32.44 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.524 1.14 . . . . 0.0 110.997 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 m -131.81 -178.22 4.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 0.786 . . . . 0.0 110.037 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.518 ' CE3' ' N ' ' A' ' 30' ' ' GLN . 41.9 p-90 -88.06 -39.4 14.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 107.965 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.518 ' N ' ' CE3' ' A' ' 29' ' ' TRP . 0.3 OUTLIER -50.77 -70.63 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.282 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.2 -38.15 62.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.636 HD23 ' C ' ' A' ' 32' ' ' LEU . 4.8 tt -56.37 -55.27 35.55 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.514 1.133 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.487 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 11.2 ttpt -53.86 -59.46 4.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -41.91 -27.96 0.14 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.429 ' N ' ' C ' ' A' ' 33' ' ' LYS . 6.1 t60 -87.65 -55.46 3.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.566 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.663 ' HG3' HG21 ' A' ' 55' ' ' VAL . 28.8 mmm -55.73 -36.83 67.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.998 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.487 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 5.1 mmm180 -43.87 -24.7 0.15 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.324 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.476 ' C ' ' O ' ' A' ' 37' ' ' ARG . 4.5 mm-40 -31.93 -40.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 110.276 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 1.014 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . . . -62.5 -76.36 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -150.51 -120.14 0.95 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.469 1.105 . . . . 0.0 111.0 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -108.61 122.45 47.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 0.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.66 HG11 HG12 ' A' ' 55' ' ' VAL . 6.0 t -85.84 133.2 30.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.59 ' HB2' HD21 ' A' ' 58' ' ' LEU . 37.7 t -93.37 -32.84 14.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 108.31 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.506 ' CZ ' ' HB2' ' A' ' 46' ' ' ASP . 70.6 t80 -144.14 151.22 39.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 111.007 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -152.21 122.55 7.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.334 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.506 ' HB2' ' CZ ' ' A' ' 44' ' ' TYR . 27.3 t0 -133.85 160.22 38.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.258 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 5.7 p -140.82 140.3 33.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -115.4 170.13 8.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.312 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.437 ' O ' ' CB ' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -69.25 179.07 2.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.437 ' CB ' ' O ' ' A' ' 49' ' ' LYS . 1.1 t70 78.04 -58.37 0.46 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.26 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 22' ' ' GLY . . . 146.74 44.58 0.04 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.497 1.123 . . . . 0.0 110.954 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -117.68 153.94 32.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 0.754 . . . . 0.0 110.996 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -144.96 168.92 26.84 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.473 1.108 . . . . 0.0 111.064 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -154.86 130.39 9.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 0.765 . . . . 0.0 110.989 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.697 HG23 ' CG2' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -135.02 131.93 53.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.466 ' CG ' ' HB3' ' A' ' 17' ' ' ARG . 0.9 OUTLIER -105.69 114.72 29.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.307 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.789 ' CE1' ' HB3' ' A' ' 39' ' ' ALA . 27.4 m-85 -85.47 169.86 13.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 111.004 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.59 HD21 ' HB2' ' A' ' 43' ' ' CYS . 33.1 mt -109.11 12.2 25.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 109.33 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 24.0 mmt180 -149.39 136.44 19.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.32 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 61.1 tttt -62.07 -57.19 12.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.362 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.85 -50.89 17.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.294 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -50.66 -45.65 58.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.451 ' HA ' ' CD2' ' A' ' 57' ' ' TYR . 9.6 ttp -52.02 -55.49 20.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 111.042 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.43 ' HA ' HD12 ' A' ' 67' ' ' LEU . 21.7 mt-10 -65.52 -43.82 88.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 110.298 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.572 ' CD1' ' HA ' ' A' ' 39' ' ' ALA . 13.6 t80 -49.09 -59.19 3.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.99 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 1.014 ' HB2' ' HB2' ' A' ' 39' ' ' ALA . . . -61.0 -39.12 88.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.785 HD23 HG12 ' A' ' 87' ' ' VAL . 19.2 mt -51.76 -55.62 18.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 109.349 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.457 ' O ' ' C ' ' A' ' 69' ' ' LYS . 0.3 OUTLIER -72.65 -67.48 0.55 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 110.266 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.457 ' C ' ' O ' ' A' ' 68' ' ' ARG . 14.5 mptt -35.99 -61.56 0.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.795 ' HB2' HG21 ' A' ' 87' ' ' VAL . 22.9 mt -64.54 -62.29 1.68 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.237 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.644 ' C ' ' O ' ' A' ' 70' ' ' LEU . 62.5 t0 17.14 71.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.475 ' CB ' ' O ' ' A' ' 71' ' ' ASP . 8.3 t0 81.24 108.59 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.093 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.634 HG23 ' O ' ' A' ' 70' ' ' LEU . 29.1 p -141.82 173.73 11.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.426 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.2 ttmt -96.38 103.81 15.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.324 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.468 ' CD2' HD23 ' A' ' 23' ' ' LEU . 35.1 t80 -94.17 120.82 34.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 111.01 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 39.6 ttt-85 -98.58 115.16 28.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.296 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 32.5 p -68.6 169.77 10.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.992 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -69.54 -14.47 62.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 109.635 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -91.91 4.69 52.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 110.279 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 89.95 -27.38 8.26 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.489 1.118 . . . . 0.0 110.977 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -54.79 136.89 45.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 0.756 . . . . 0.0 110.29 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 24.5 p -116.24 148.74 40.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.413 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 17.0 m -150.45 164.87 34.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.044 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -103.32 111.2 23.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 111.042 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.518 HG21 ' HG ' ' A' ' 23' ' ' LEU . 3.7 pt -108.61 130.09 61.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 109.316 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.2 mmm-85 -90.95 145.01 25.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.277 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.795 HG21 ' HB2' ' A' ' 70' ' ' LEU . 2.1 t -111.13 115.05 48.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.549 1.155 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 19.4 p90 -144.02 161.66 44.4 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.98 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.408 ' HA ' ' NH2' ' A' ' 17' ' ' ARG . 18.3 Cg_endo -75.0 -166.81 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.518 1.799 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.515 ' N ' HH22 ' A' ' 17' ' ' ARG . 28.2 tt0 -95.66 153.74 17.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 110.274 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -90.58 106.03 18.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.261 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 65.55 146.98 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 110.009 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 77.6 p -149.28 169.01 21.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.152 . . . . 0.0 109.973 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 154.71 76.29 0.02 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.504 1.127 . . . . 0.0 110.977 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -42.07 0.58 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.481 1.78 . . . . 0.0 111.018 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.9 m -58.81 148.15 30.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.113 . . . . 0.0 109.965 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 13.7 t 58.75 102.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.128 . . . . 0.0 109.974 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 O-C-N 124.483 1.114 . . . . 0.0 111.022 179.987 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.039 -0.825 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.2 p -110.88 120.79 43.55 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.514 0.773 . . . . 0.0 109.958 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.7 p 46.42 85.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.999 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.8 -179.75 16.23 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.477 1.111 . . . . 0.0 111.011 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.64 113.27 2.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 0.752 . . . . 0.0 109.985 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.2 p -53.84 141.52 26.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 110.036 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.65 -163.08 2.08 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.507 1.13 . . . . 0.0 111.03 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.25 -160.03 37.86 Favored Glycine 0 CA--C 1.531 1.034 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.414 ' HA ' ' HD3' ' A' ' 10' ' ' PRO . 18.3 Cg_endo -75.02 153.69 41.84 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.534 1.807 . . . . 0.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.867 ' O ' HG22 ' A' ' 11' ' ' THR . 18.5 Cg_endo -74.95 66.01 5.99 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.485 1.782 . . . . 0.0 111.019 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.867 HG22 ' O ' ' A' ' 10' ' ' PRO . 10.5 t 54.34 164.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.15 . . . . 0.0 110.414 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.9 mmt180 -157.03 108.99 2.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.296 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.23 178.34 5.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.419 ' N ' ' OE1' ' A' ' 56' ' ' GLU . 2.5 m -103.62 -89.36 0.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.049 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -170.14 -58.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.262 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.559 ' CZ ' ' HB2' ' A' ' 60' ' ' LYS . 47.1 m-85 -41.41 109.46 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 111.025 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.5 ptp85 -136.69 163.33 30.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.314 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.703 ' CG2' HG23 ' A' ' 55' ' ' VAL . 27.5 m -120.72 125.76 74.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.335 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.548 HD11 ' HG2' ' A' ' 90' ' ' GLU . 8.3 mt -81.98 118.88 23.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.553 1.158 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.422 ' O ' ' N ' ' A' ' 53' ' ' GLY . 19.8 t -107.12 134.83 47.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.346 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 89.2 p -141.42 145.27 35.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.028 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.526 ' C ' HG22 ' A' ' 85' ' ' ILE . . . 97.31 29.84 7.69 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.521 1.138 . . . . 0.0 111.022 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.3 mt -77.65 157.65 79.45 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.515 0.773 . . . . 0.0 109.306 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 173.18 14.96 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.526 1.803 . . . . 0.0 110.968 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -19.39 17.86 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.471 1.774 . . . . 0.0 110.977 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 12.8 t -107.32 -12.29 15.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.995 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -47.63 123.61 8.93 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.492 1.12 . . . . 0.0 111.033 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.9 m -111.21 161.39 16.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 0.734 . . . . 0.0 109.983 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.597 ' CE3' ' N ' ' A' ' 30' ' ' GLN . 42.4 p-90 -66.69 -43.86 83.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 108.02 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.597 ' N ' ' CE3' ' A' ' 29' ' ' TRP . 0.0 OUTLIER -44.34 -74.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 110.271 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -49.83 -45.86 50.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.595 HD23 ' C ' ' A' ' 32' ' ' LEU . 5.9 tt -49.43 -56.32 10.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.487 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 13.0 ttpt -51.44 -61.05 2.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.581 1.176 . . . . 0.0 109.35 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -41.12 -29.02 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.271 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.422 ' N ' ' C ' ' A' ' 33' ' ' LYS . 5.9 t60 -85.83 -58.45 2.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.577 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.636 ' HG3' HG21 ' A' ' 55' ' ' VAL . 27.8 mmm -52.75 -39.7 62.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 111.004 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.487 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 0.3 OUTLIER -41.1 -26.78 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.33 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.478 ' C ' ' O ' ' A' ' 37' ' ' ARG . 3.7 mm-40 -31.69 -40.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.324 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 1.066 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . . . -60.91 -75.97 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -153.44 -108.18 0.33 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.457 1.098 . . . . 0.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -114.68 130.44 56.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 0.794 . . . . 0.0 109.32 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.464 HG11 HG12 ' A' ' 55' ' ' VAL . 4.0 t -97.95 121.75 48.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 109.356 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.644 ' HB3' HD21 ' A' ' 58' ' ' LEU . 17.7 p -88.08 -32.39 18.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 108.323 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -138.45 144.39 40.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 111.028 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -150.79 112.95 4.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -132.7 163.75 28.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.473 ' CG2' HD13 ' A' ' 32' ' ' LEU . 25.7 t -141.98 145.55 23.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -114.9 170.2 8.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.333 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.63 -178.77 0.58 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.3 t0 72.82 -58.81 0.59 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.354 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' A' ' 22' ' ' GLY . . . 148.06 43.51 0.03 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.468 1.105 . . . . 0.0 111.034 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.439 ' O ' HG13 ' A' ' 47' ' ' VAL . 6.3 mtt -108.89 159.0 17.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 0.778 . . . . 0.0 111.0 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -148.63 161.07 28.58 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.487 1.117 . . . . 0.0 110.986 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -152.38 120.03 6.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 0.73 . . . . 0.0 110.978 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.703 HG23 ' CG2' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -129.43 140.71 48.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.117 . . . . 0.0 109.29 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.419 ' OE1' ' N ' ' A' ' 14' ' ' SER . 0.1 OUTLIER -111.45 140.4 46.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 110.282 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.841 ' CE1' ' HB3' ' A' ' 39' ' ' ALA . 37.4 m-85 -113.18 149.91 32.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 110.994 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.644 HD21 ' HB3' ' A' ' 43' ' ' CYS . 1.8 mm? -86.6 3.82 42.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.348 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.0 mtp180 -139.16 127.94 23.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.325 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.559 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 76.8 tttt -58.04 -52.38 65.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -53.46 -46.92 70.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.148 . . . . 0.0 110.27 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -53.67 -34.79 59.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.512 ' SD ' HD11 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -61.06 -55.62 30.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 110.978 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.605 ' HA ' HD12 ' A' ' 67' ' ' LEU . 20.0 mt-10 -63.12 -39.11 93.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.354 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.603 ' CD1' ' HA ' ' A' ' 39' ' ' ALA . 24.7 t80 -50.81 -65.15 0.61 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.138 . . . . 0.0 110.971 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 1.066 ' HB2' ' HB2' ' A' ' 39' ' ' ALA . . . -57.03 -38.27 72.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.344 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.753 HD23 HG12 ' A' ' 87' ' ' VAL . 24.3 mt -51.49 -58.59 5.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.446 ' O ' ' C ' ' A' ' 69' ' ' LYS . 14.8 mmt85 -71.08 -66.23 0.64 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.288 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.455 ' HD3' ' CD2' ' A' ' 65' ' ' TYR . 0.1 OUTLIER -36.58 -63.27 0.41 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.333 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.84 ' O ' HG23 ' A' ' 73' ' ' THR . 25.1 mt -62.77 -63.52 1.19 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.27 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.634 ' C ' ' O ' ' A' ' 70' ' ' LEU . 39.1 t0 18.21 92.0 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.421 ' HB3' ' O ' ' A' ' 71' ' ' ASP . 20.8 t70 62.58 100.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.84 HG23 ' O ' ' A' ' 70' ' ' LEU . 5.0 p -133.37 174.14 10.72 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.535 1.147 . . . . 0.0 110.367 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.6 ttmt -102.32 99.18 9.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.418 ' CE1' ' HA ' ' A' ' 32' ' ' LEU . 40.4 t80 -91.29 129.43 37.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.135 . . . . 0.0 111.0 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.422 ' HA ' ' O ' ' A' ' 81' ' ' GLU . 4.2 ttp180 -112.09 121.54 45.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.301 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 52.2 p -78.01 179.32 6.86 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 110.04 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.407 ' CD2' ' C ' ' A' ' 78' ' ' HIS . 1.7 p-80 -74.86 -3.26 30.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.449 1.093 . . . . 0.0 109.563 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -99.45 16.65 22.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.316 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 64.74 9.31 38.35 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.454 1.096 . . . . 0.0 111.012 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.427 ' HG3' ' N ' ' A' ' 82' ' ' THR . 2.7 tt0 -86.17 137.12 32.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 0.776 . . . . 0.0 110.281 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.427 ' N ' ' HG3' ' A' ' 81' ' ' GLU . 11.7 p -118.61 147.63 43.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.356 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.3 p -158.89 148.6 19.13 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 109.976 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -83.22 118.53 23.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.442 1.089 . . . . 0.0 110.967 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.526 HG22 ' C ' ' A' ' 22' ' ' GLY . 7.5 pt -116.58 131.08 70.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.256 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.19 152.82 20.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.26 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.753 HG12 HD23 ' A' ' 67' ' ' LEU . 2.1 t -121.72 114.77 44.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.533 ' CE1' ' O ' ' A' ' 19' ' ' LEU . 9.1 p90 -142.24 157.62 62.89 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 111.048 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 179.66 5.87 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.514 1.797 . . . . 0.0 110.983 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.548 ' HG2' HD11 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -92.51 170.28 9.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.295 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 6.7 mtt85 -110.78 124.74 52.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 110.311 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -161.05 165.84 29.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 110.004 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 12.1 p -138.82 -62.41 0.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.437 1.086 . . . . 0.0 110.023 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 119.94 98.29 1.72 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.518 1.137 . . . . 0.0 111.006 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 137.36 21.63 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.462 1.77 . . . . 0.0 110.974 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 80.4 p -118.39 152.02 36.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.975 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 9.3 t -145.73 134.9 22.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.033 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.494 1.121 . . . . 0.0 111.026 -179.954 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.1 p -64.2 168.7 5.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 0.774 . . . . 0.0 109.993 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.3 m -156.42 95.42 1.57 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.015 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.07 -135.98 7.57 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.481 1.113 . . . . 0.0 111.011 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.58 -51.03 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 0.775 . . . . 0.0 110.0 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -159.12 102.93 1.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.028 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.23 91.33 0.29 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.507 1.129 . . . . 0.0 110.995 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 71.11 145.13 0.34 Allowed Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.406 ' HA ' ' HD3' ' A' ' 10' ' ' PRO . 18.2 Cg_endo -75.0 156.94 43.02 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.529 1.805 . . . . 0.0 110.987 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 9' ' ' PRO . 18.2 Cg_endo -75.0 78.57 2.87 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.468 1.772 . . . . 0.0 110.969 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 30.0 p -109.28 115.93 30.91 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.512 1.133 . . . . 0.0 110.408 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -121.92 60.28 0.98 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 110.314 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.5 mtp180 -105.43 -12.26 16.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.503 ' HB3' ' CD2' ' A' ' 16' ' ' PHE . 4.0 m 179.93 178.93 0.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 110.015 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -144.77 58.71 1.31 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.566 ' CE1' ' HB2' ' A' ' 60' ' ' LYS . 7.8 m-85 -127.95 71.77 1.38 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 111.013 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.583 ' CG ' ' HG2' ' A' ' 56' ' ' GLU . 21.6 mtt85 -98.96 166.62 11.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.313 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.966 HG23 HG23 ' A' ' 55' ' ' VAL . 9.4 m -136.69 117.57 18.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.471 ' HB2' ' CD2' ' A' ' 88' ' ' TYR . 10.7 mt -82.34 132.79 35.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.26 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.47 HG11 HD12 ' A' ' 85' ' ' ILE . 43.6 t -126.3 133.8 67.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.9 m -136.09 154.69 50.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 110.03 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.494 ' C ' HG22 ' A' ' 85' ' ' ILE . . . 92.69 34.89 6.69 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.525 1.141 . . . . 0.0 110.976 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.511 ' HG ' HG21 ' A' ' 85' ' ' ILE . 1.2 mt -87.14 157.77 53.43 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.521 0.777 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 170.45 20.4 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.493 1.786 . . . . 0.0 111.005 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -19.01 18.28 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.477 1.777 . . . . 0.0 110.998 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.2 m -104.59 -3.3 24.0 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 109.999 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -55.54 148.01 27.15 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.462 1.101 . . . . 0.0 111.026 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.6 m -128.01 178.55 6.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 0.772 . . . . 0.0 109.982 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.518 ' CZ3' ' HG3' ' A' ' 30' ' ' GLN . 63.4 p-90 -87.62 -45.89 10.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.13 . . . . 0.0 107.997 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.518 ' HG3' ' CZ3' ' A' ' 29' ' ' TRP . 27.8 mt-30 -47.53 -65.63 0.53 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 110.3 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -55.13 -39.86 69.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.81 HD23 ' C ' ' A' ' 32' ' ' LEU . 0.8 OUTLIER -57.68 -48.53 79.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.523 ' N ' HD23 ' A' ' 32' ' ' LEU . 10.2 ttpt -57.43 -57.02 14.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -44.89 -25.42 0.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.426 ' N ' ' C ' ' A' ' 33' ' ' LYS . 5.7 t60 -88.05 -51.03 6.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.611 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.772 ' HG3' HG21 ' A' ' 55' ' ' VAL . 26.7 mmm -60.54 -41.08 93.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 111.022 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.492 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 6.3 mtm180 -41.12 -26.99 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.287 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.482 ' C ' ' O ' ' A' ' 37' ' ' ARG . 0.4 OUTLIER -31.39 -40.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 110.311 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 1.002 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . . . -64.43 -81.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -143.35 -120.34 1.49 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.454 1.096 . . . . 0.0 111.023 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -103.75 139.96 38.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 0.768 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.533 HG11 HG12 ' A' ' 55' ' ' VAL . 3.5 t -111.2 127.07 68.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 0.0 109.303 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 41.1 t -99.51 -27.54 13.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.436 1.085 . . . . 0.0 108.293 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.553 ' CG ' ' OE2' ' A' ' 56' ' ' GLU . 50.6 t80 -130.75 142.96 50.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -152.63 115.21 4.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.327 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -133.82 162.58 31.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 109.328 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.1 p -141.16 138.46 33.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.259 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -109.05 160.04 16.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 110.321 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.26 -178.97 0.4 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.8 t0 73.86 -58.71 0.58 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.437 ' O ' ' N ' ' A' ' 22' ' ' GLY . . . 152.44 43.92 0.02 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.499 1.124 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -110.31 159.33 17.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 0.78 . . . . 0.0 111.007 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -151.89 158.99 28.08 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.475 1.109 . . . . 0.0 111.024 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.489 ' HE3' ' HD3' ' A' ' 17' ' ' ARG . 2.1 ttp -149.95 148.41 29.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 0.749 . . . . 0.0 111.02 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.966 HG23 HG23 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -153.87 156.56 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.256 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.583 ' HG2' ' CG ' ' A' ' 17' ' ' ARG . 47.2 mt-10 -122.82 142.35 50.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.324 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.588 ' CE1' ' HB3' ' A' ' 39' ' ' ALA . 15.8 m-85 -118.04 145.03 45.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 111.011 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -88.3 10.34 20.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 7.0 mmt180 -147.73 131.89 17.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.342 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.566 ' HB2' ' CE1' ' A' ' 16' ' ' PHE . 31.8 tttt -60.89 -58.32 8.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -48.6 -56.04 9.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.324 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.782 ' O ' ' HB1' ' A' ' 39' ' ' ALA . 75.2 m-20 -47.07 -29.48 2.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.555 ' HA ' ' CD2' ' A' ' 57' ' ' TYR . 0.0 OUTLIER -67.52 -68.55 0.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.983 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.487 ' HA ' HD12 ' A' ' 67' ' ' LEU . 25.0 mt-10 -46.68 -40.46 13.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.281 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.588 ' CD1' ' HA ' ' A' ' 39' ' ' ALA . 26.3 t80 -49.91 -64.57 0.77 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 111.032 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 1.002 ' HB2' ' HB2' ' A' ' 39' ' ' ALA . . . -57.48 -40.04 77.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.866 HD23 HG12 ' A' ' 87' ' ' VAL . 28.1 mt -50.12 -57.79 6.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.289 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.474 ' O ' ' C ' ' A' ' 69' ' ' LYS . 6.9 mmp_? -72.49 -67.9 0.52 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 110.304 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.474 ' C ' ' O ' ' A' ' 68' ' ' ARG . 10.1 mptt -34.48 -61.78 0.37 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.721 ' O ' HG23 ' A' ' 73' ' ' THR . 21.8 mt -63.79 -59.59 4.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.691 ' C ' ' O ' ' A' ' 70' ' ' LEU . 46.4 t0 9.45 77.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.5 ' CB ' ' O ' ' A' ' 71' ' ' ASP . 5.9 t0 81.76 102.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.721 HG23 ' O ' ' A' ' 70' ' ' LEU . 21.1 p -135.97 172.56 12.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.43 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 16.7 tttt -100.68 100.04 10.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.505 ' CD2' HD23 ' A' ' 23' ' ' LEU . 42.1 t80 -88.81 139.96 29.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.988 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -110.92 111.79 23.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 110.297 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.7 p -63.83 162.03 14.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.133 . . . . 0.0 110.003 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.411 ' CD2' ' HG2' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -65.93 -13.17 59.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.579 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.411 ' HG2' ' CD2' ' A' ' 78' ' ' HIS . 4.8 mm-40 -93.21 -6.16 48.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 110.313 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 102.12 -30.51 10.23 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.488 1.118 . . . . 0.0 110.995 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -51.35 133.97 28.62 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.47 0.747 . . . . 0.0 110.276 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.1 p -110.6 149.95 29.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 110.391 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 49.7 m -158.89 154.48 26.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 110.024 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -89.36 119.86 30.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.511 HG21 ' HG ' ' A' ' 23' ' ' LEU . 7.2 pt -114.48 131.69 65.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.262 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.406 ' O ' ' HA ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER -91.22 151.99 20.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 110.253 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.866 HG12 HD23 ' A' ' 67' ' ' LEU . 3.3 t -118.95 121.09 65.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.356 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.471 ' CD2' ' HB2' ' A' ' 19' ' ' LEU . 10.8 p90 -146.31 158.23 47.87 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 111.035 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 177.88 8.0 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.457 1.767 . . . . 0.0 111.003 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -95.55 117.36 30.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 110.28 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -85.91 133.45 33.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.332 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 11.8 m -103.19 158.7 16.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.043 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.8 t -150.26 146.14 26.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.017 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 72.56 79.97 0.43 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.507 1.129 . . . . 0.0 111.021 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 78.28 2.94 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.51 1.795 . . . . 0.0 110.97 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 43.3 p -118.48 160.78 21.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.053 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.3 m -134.56 79.8 1.82 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.037 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.53 1.144 . . . . 0.0 111.006 -179.95 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.066 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.5 m 59.08 96.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 0.79 . . . . 0.0 110.023 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.3 t -87.01 99.69 12.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 110.035 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.85 157.88 22.38 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.464 1.102 . . . . 0.0 110.995 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 t -173.79 109.3 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 0.768 . . . . 0.0 109.99 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.6 t -54.68 133.75 46.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.446 1.091 . . . . 0.0 109.988 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 109.58 -92.95 0.73 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.485 1.116 . . . . 0.0 111.022 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -163.18 -95.7 0.11 Allowed Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.42 ' HA ' ' HD3' ' A' ' 10' ' ' PRO . 18.3 Cg_endo -74.99 152.98 41.48 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.461 1.769 . . . . 0.0 110.986 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 9' ' ' PRO . 18.3 Cg_endo -75.02 159.06 41.73 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.518 1.799 . . . . 0.0 110.989 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 13.4 t -45.47 146.12 1.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 110.399 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.1 mmt85 -145.42 86.58 1.76 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.318 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.6 mtp85 -82.12 -26.61 33.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 110.254 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.454 ' HB3' ' CD2' ' A' ' 16' ' ' PHE . 25.5 m -137.92 -170.71 2.84 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 0.0 110.02 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.554 ' O ' ' CD1' ' A' ' 16' ' ' PHE . 13.9 m-20 -140.55 68.27 1.35 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.554 ' CD1' ' O ' ' A' ' 15' ' ' ASP . 11.1 m-85 -155.0 105.24 2.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 110.967 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 30.2 ptt-85 -137.08 164.0 29.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 0.0 110.306 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.712 ' CG2' HG23 ' A' ' 55' ' ' VAL . 27.2 m -122.74 135.5 62.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.602 ' O ' ' CE1' ' A' ' 88' ' ' TYR . 0.9 OUTLIER -94.41 114.35 26.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.316 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.436 HG13 ' HB ' ' A' ' 85' ' ' ILE . 93.2 t -94.81 133.99 33.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 9.6 p -138.78 141.9 38.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 110.019 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 51' ' ' GLY . . . 96.83 34.84 5.57 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.47 1.106 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.444 HD23 ' CD2' ' A' ' 75' ' ' PHE . 5.5 mt -82.07 156.74 69.33 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.479 0.752 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 171.61 17.96 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.436 1.756 . . . . 0.0 110.996 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -17.83 19.16 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.462 1.77 . . . . 0.0 111.012 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.6 t -106.86 -20.74 13.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.157 . . . . 0.0 110.011 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -38.08 142.42 0.32 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.459 1.099 . . . . 0.0 110.974 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -126.69 171.15 11.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 0.736 . . . . 0.0 109.992 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.631 ' CE3' ' N ' ' A' ' 30' ' ' GLN . 48.8 p-90 -76.91 -48.52 18.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 108.008 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.631 ' N ' ' CE3' ' A' ' 29' ' ' TRP . 5.2 tm0? -45.03 -61.29 1.69 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.306 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -57.14 -44.84 83.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.268 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.688 HD23 ' C ' ' A' ' 32' ' ' LEU . 2.1 tt -54.6 -52.61 61.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.264 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.494 ' N ' HD23 ' A' ' 32' ' ' LEU . 9.9 tttt -52.29 -63.63 1.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 109.261 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -41.06 -28.92 0.1 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.464 1.103 . . . . 0.0 109.32 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.429 ' N ' ' C ' ' A' ' 33' ' ' LYS . 6.4 t60 -85.88 -54.33 4.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.626 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.712 ' HG3' HG21 ' A' ' 55' ' ' VAL . 27.6 mmm -56.56 -40.83 75.82 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.561 1.163 . . . . 0.0 110.96 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.461 ' O ' ' C ' ' A' ' 38' ' ' GLU . 5.8 mmm-85 -40.15 -27.85 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.287 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 37' ' ' ARG . 3.7 mm-40 -33.1 -39.53 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.289 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 1.064 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . . . -61.96 -74.19 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -158.99 -114.98 0.4 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -101.93 131.06 48.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 0.793 . . . . 0.0 109.328 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.408 ' HB ' ' CE ' ' A' ' 33' ' ' LYS . 3.3 t -108.09 123.12 63.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.155 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 18.7 t -102.49 -29.14 11.78 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.501 1.126 . . . . 0.0 108.329 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.543 ' O ' HG12 ' A' ' 55' ' ' VAL . 14.3 t80 -119.02 134.57 55.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 110.96 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -152.46 112.44 4.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.325 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -142.47 150.17 40.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.56 ' CG2' HD13 ' A' ' 32' ' ' LEU . 75.3 t -141.05 140.82 32.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -118.57 170.1 9.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.151 . . . . 0.0 110.32 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.3 -171.55 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 72.76 -59.37 0.57 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 22' ' ' GLY . . . 140.99 44.26 0.06 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.532 1.145 . . . . 0.0 110.97 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -122.35 140.36 52.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 0.79 . . . . 0.0 111.003 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -132.52 165.63 23.68 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.509 1.13 . . . . 0.0 111.028 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.497 ' HE2' ' CD1' ' A' ' 44' ' ' TYR . 2.0 ttp -151.24 130.68 12.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 0.774 . . . . 0.0 110.956 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.712 HG23 ' CG2' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -138.14 146.49 26.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.339 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.422 ' HB2' ' CB ' ' A' ' 44' ' ' TYR . 5.5 mt-10 -119.24 146.61 45.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 110.305 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.697 ' CE1' ' HB3' ' A' ' 39' ' ' ALA . 55.5 m-85 -122.0 156.3 33.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.972 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.644 HD22 ' N ' ' A' ' 58' ' ' LEU . 1.1 mm? -94.08 16.7 13.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.275 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 13.9 mmt180 -147.34 137.38 23.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 110.279 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -65.06 -57.92 7.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -48.29 -47.07 36.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 110.274 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.641 ' OD1' ' HB1' ' A' ' 39' ' ' ALA . 1.3 t0 -49.63 -44.23 47.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.32 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.684 ' SD ' HD11 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -57.94 -58.77 6.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.157 . . . . 0.0 111.016 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.52 ' HA ' HD12 ' A' ' 67' ' ' LEU . 9.9 mt-10 -58.89 -42.4 89.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 110.263 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.612 ' CD1' ' HA ' ' A' ' 39' ' ' ALA . 30.4 t80 -50.45 -67.04 0.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.163 . . . . 0.0 111.014 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 1.064 ' HB2' ' HB2' ' A' ' 39' ' ' ALA . . . -55.6 -40.36 71.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.577 1.173 . . . . 0.0 109.349 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.767 HD23 HG12 ' A' ' 87' ' ' VAL . 23.4 mt -49.52 -59.38 3.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.469 ' O ' ' C ' ' A' ' 69' ' ' LYS . 3.7 mmp_? -71.35 -67.64 0.5 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.282 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.469 ' C ' ' O ' ' A' ' 68' ' ' ARG . 0.3 OUTLIER -34.81 -63.62 0.3 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.806 ' O ' HG23 ' A' ' 73' ' ' THR . 27.0 mt -63.01 -62.49 1.68 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.65 ' C ' ' O ' ' A' ' 70' ' ' LEU . 64.5 t0 16.21 88.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 12.5 t0 67.26 100.98 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 109.278 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.806 HG23 ' O ' ' A' ' 70' ' ' LEU . 11.7 p -135.22 168.06 19.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 110.368 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.6 ttpt -96.94 98.75 10.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.282 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.444 ' CD2' HD23 ' A' ' 23' ' ' LEU . 32.3 t80 -89.08 132.35 34.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -102.46 115.54 30.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 110.278 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 24.2 p -67.35 168.32 10.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 110.013 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.597 ' O ' ' CD2' ' A' ' 78' ' ' HIS . 1.3 t60 -68.07 -12.09 60.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.574 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -97.32 5.75 49.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.15 . . . . 0.0 110.312 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 90.08 -37.13 3.4 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.543 1.152 . . . . 0.0 110.996 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -48.85 122.59 5.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 0.736 . . . . 0.0 110.292 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 20.0 p -99.14 155.88 17.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 110.442 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 7.8 m -155.55 159.63 39.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 110.012 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -92.17 113.31 25.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.993 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.436 ' HB ' HG13 ' A' ' 20' ' ' VAL . 12.4 pt -108.02 132.83 54.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 -97.95 154.14 17.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.279 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.767 HG12 HD23 ' A' ' 67' ' ' LEU . 2.0 t -125.02 123.33 65.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.602 ' CE1' ' O ' ' A' ' 19' ' ' LEU . 35.6 p90 -153.22 156.51 32.61 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 0.0 111.017 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.452 ' C ' HD23 ' A' ' 19' ' ' LEU . 18.2 Cg_endo -75.02 174.53 12.63 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.499 1.789 . . . . 0.0 110.955 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.407 ' CB ' HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -95.23 154.63 17.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.3 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 26.2 ptt180 -118.35 135.27 54.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.302 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -172.59 179.23 2.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.036 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.57 167.23 19.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.996 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 163.61 110.23 0.24 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.471 1.107 . . . . 0.0 111.02 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -48.39 0.17 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.499 1.789 . . . . 0.0 110.991 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.9 m 57.35 103.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.959 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.6 t -132.71 154.91 49.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.987 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.431 1.082 . . . . 0.0 111.021 179.99 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -157.14 109.74 2.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 0.769 . . . . 0.0 109.981 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.9 t -103.25 -58.55 1.86 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.983 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.48 84.43 0.11 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.549 1.155 . . . . 0.0 110.989 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.26 -58.33 3.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 0.76 . . . . 0.0 110.015 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.27 145.67 8.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.033 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.86 161.5 12.74 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.475 1.109 . . . . 0.0 111.012 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 145.5 -80.54 0.22 Allowed Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 168.28 25.16 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.474 1.776 . . . . 0.0 110.984 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 133.02 16.13 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.537 1.809 . . . . 0.0 111.029 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.5 t -49.87 134.86 20.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.432 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.17 88.22 2.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.33 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.85 -175.69 4.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.314 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -56.51 152.67 11.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.971 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -107.75 40.95 1.61 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.506 ' CE2' ' HB2' ' A' ' 60' ' ' LYS . 22.1 m-85 -124.47 111.45 15.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 111.024 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.422 ' NH2' ' OE1' ' A' ' 90' ' ' GLU . 10.7 ptt180 -136.51 166.84 22.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.25 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.652 ' CG2' HG23 ' A' ' 55' ' ' VAL . 27.3 m -120.42 129.27 75.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.54 ' O ' ' CD1' ' A' ' 88' ' ' TYR . 15.9 mt -87.9 122.93 32.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.6 HG12 HD21 ' A' ' 23' ' ' LEU . 72.5 t -114.0 134.83 55.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.363 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 56.0 p -143.65 126.04 15.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.003 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.486 ' C ' HG22 ' A' ' 85' ' ' ILE . . . 135.51 -6.17 4.2 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.496 1.123 . . . . 0.0 111.041 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.931 HD13 HG21 ' A' ' 85' ' ' ILE . 3.3 mm? -40.19 151.65 0.24 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.455 0.738 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.402 ' HD2' ' HA3' ' A' ' 27' ' ' GLY . 18.2 Cg_endo -75.0 174.1 13.37 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.52 1.8 . . . . 0.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -15.71 20.52 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.561 1.821 . . . . 0.0 110.993 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.4 m -120.63 8.42 10.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.021 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.402 ' HA3' ' HD2' ' A' ' 24' ' ' PRO . . . -61.44 163.9 21.38 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.499 1.124 . . . . 0.0 111.044 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 64.9 m -142.95 163.5 32.63 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.473 0.749 . . . . 0.0 110.067 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.537 ' HB3' HG12 ' A' ' 47' ' ' VAL . 59.8 p-90 -75.24 -47.76 26.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 107.983 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.487 ' HG3' ' CH2' ' A' ' 29' ' ' TRP . 50.6 mt-30 -38.9 -70.26 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.276 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.445 ' HB3' ' CE1' ' A' ' 75' ' ' PHE . 0.1 OUTLIER -52.51 -48.42 66.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.562 1.163 . . . . 0.0 109.278 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.646 HD23 ' C ' ' A' ' 32' ' ' LEU . 4.6 tt -48.15 -53.13 17.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.466 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 1.9 tttt -53.59 -65.89 0.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 33' ' ' LYS . 54.3 m-20 -38.98 -30.51 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.337 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.447 ' N ' ' O ' ' A' ' 33' ' ' LYS . 4.2 t60 -83.9 -61.52 1.8 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 109.573 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.658 ' HG3' HG21 ' A' ' 55' ' ' VAL . 24.6 mmm -49.6 -39.61 36.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 0.0 110.997 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.48 ' O ' ' C ' ' A' ' 38' ' ' GLU . 4.6 mmm180 -41.91 -25.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.48 ' C ' ' O ' ' A' ' 37' ' ' ARG . 0.4 OUTLIER -31.85 -40.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.317 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 1.036 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . . . -60.97 -81.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -146.77 -111.57 0.68 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.498 1.124 . . . . 0.0 111.014 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -108.68 128.75 55.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 0.773 . . . . 0.0 109.277 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.432 ' CG2' ' HA ' ' A' ' 37' ' ' ARG . 11.7 t -102.63 116.61 46.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.337 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 15.1 t -95.53 -23.73 16.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 108.325 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.596 ' CD2' ' OE2' ' A' ' 56' ' ' GLU . 18.2 t80 -129.14 131.89 47.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.98 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -152.52 116.47 4.86 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -145.45 163.61 34.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.69 HG23 ' O ' ' A' ' 52' ' ' MET . 2.3 p -142.07 142.78 27.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.575 1.172 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -113.66 157.93 21.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.292 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.8 -178.84 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 0.0 109.325 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.2 t70 71.16 -58.55 0.57 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.272 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 145.99 54.43 0.02 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.69 ' O ' HG23 ' A' ' 47' ' ' VAL . 0.3 OUTLIER -118.18 158.94 24.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 0.751 . . . . 0.0 111.003 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -151.87 159.58 28.38 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.482 1.114 . . . . 0.0 110.987 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.498 ' HE2' ' CD1' ' A' ' 44' ' ' TYR . 2.3 ttp -153.53 117.47 4.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 0.766 . . . . 0.0 111.006 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.658 HG21 ' HG3' ' A' ' 36' ' ' MET . 0.0 OUTLIER -126.45 139.38 51.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.596 ' OE2' ' CD2' ' A' ' 44' ' ' TYR . 48.6 mt-10 -105.59 153.06 22.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.298 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.681 ' CE1' ' HB3' ' A' ' 39' ' ' ALA . 24.4 m-85 -127.42 140.64 52.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.987 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.575 HD22 ' N ' ' A' ' 58' ' ' LEU . 1.2 mm? -85.88 9.78 15.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.6 mmt180 -143.73 136.36 27.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.244 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.506 ' HB2' ' CE2' ' A' ' 16' ' ' PHE . 72.8 tttt -62.56 -57.08 12.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -46.72 -51.22 16.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 110.26 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.423 ' O ' ' HB3' ' A' ' 65' ' ' TYR . 74.7 m-20 -46.34 -50.06 16.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.549 ' HA ' ' CD2' ' A' ' 57' ' ' TYR . 18.6 ttp -51.97 -61.54 2.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 111.03 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.444 ' HA ' HD12 ' A' ' 67' ' ' LEU . 16.5 mt-10 -59.2 -44.32 92.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.325 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.578 ' CD1' ' HA ' ' A' ' 39' ' ' ALA . 22.2 t80 -50.06 -64.16 0.89 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.983 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 1.036 ' HB2' ' HB2' ' A' ' 39' ' ' ALA . . . -58.35 -38.74 77.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.564 1.165 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.738 HD23 HG12 ' A' ' 87' ' ' VAL . 19.3 mt -51.02 -57.34 8.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.261 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.465 ' O ' ' C ' ' A' ' 69' ' ' LYS . 3.3 mmp_? -73.08 -67.08 0.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.313 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.465 ' C ' ' O ' ' A' ' 68' ' ' ARG . 0.1 OUTLIER -34.86 -60.22 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.857 ' O ' HG23 ' A' ' 73' ' ' THR . 21.5 mt -66.87 -62.81 1.25 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.639 ' C ' ' O ' ' A' ' 70' ' ' LEU . 35.3 t70 17.67 88.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 37.0 t0 64.97 105.92 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.149 . . . . 0.0 109.275 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.857 HG23 ' O ' ' A' ' 70' ' ' LEU . 5.6 p -140.59 176.07 9.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 110.367 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.0 ttpt -100.41 98.44 9.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 109.307 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.523 ' CE1' ' HA ' ' A' ' 32' ' ' LEU . 21.2 t80 -85.38 133.77 34.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.994 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.2 ttt-85 -108.07 113.72 27.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 0.0 110.298 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 33.2 p -69.37 177.23 2.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 110.0 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.482 ' CD2' ' HG2' ' A' ' 79' ' ' GLU . 0.1 OUTLIER -75.91 -15.15 60.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.594 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.482 ' HG2' ' CD2' ' A' ' 78' ' ' HIS . 4.1 mm-40 -90.38 -1.17 57.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.326 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 94.79 -31.36 6.95 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.508 1.13 . . . . 0.0 111.041 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -50.09 137.45 17.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 0.781 . . . . 0.0 110.274 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 20.2 p -120.05 141.3 49.87 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.475 1.109 . . . . 0.0 110.406 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.0 m -142.58 174.96 10.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.012 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -106.19 118.96 37.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 111.004 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.931 HG21 HD13 ' A' ' 23' ' ' LEU . 8.9 pt -120.42 134.05 65.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.18 158.91 15.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.317 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.738 HG12 HD23 ' A' ' 67' ' ' LEU . 1.6 t -123.72 112.46 33.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.438 1.086 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.54 ' CD1' ' O ' ' A' ' 19' ' ' LEU . 11.8 p90 -138.01 158.68 70.79 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 110.985 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -179.3 4.86 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.483 1.781 . . . . 0.0 111.03 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.422 ' OE1' ' NH2' ' A' ' 17' ' ' ARG . 6.7 tt0 -87.12 144.5 26.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.52 109.18 19.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.277 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -114.48 143.87 44.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 110.001 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 37.8 p -178.17 127.03 0.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.968 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 171.13 146.54 5.27 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.503 1.127 . . . . 0.0 110.984 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 121.31 6.51 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.471 1.774 . . . . 0.0 110.999 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.2 m -67.58 -57.64 6.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.021 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 7.4 m 56.08 81.48 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.017 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.549 1.156 . . . . 0.0 110.984 -179.981 . . . . . . . . 0 0 . 1 stop_ save_