data_1rk7_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 1rk7 _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 ' 2' ' ' THR . . . . . . . . . . . . . 2.0 p . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.365 -0.235 . . . . 10.0 110.365 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.1 tttp -111.56 88.32 2.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 10.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . 0.48 ' HB2' ' CD1' ' A' ' 149' ' ' ILE . . . -84.85 164.68 18.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 10.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.432 HG22 ' CB ' ' A' ' 152' ' ' ALA . 2.1 t -144.39 155.53 15.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 10.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' A' ' 147' ' ' GLY . . . -155.47 93.45 1.49 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 10.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 58.4 t -81.6 99.58 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 10.0 109.278 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.517 ' HB2' ' CA ' ' A' ' 16' ' ' GLY . 3.6 mm? -46.24 145.34 1.69 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 10.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 17.7 tttt -178.29 136.1 0.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 10.0 109.286 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 11' ' ' ASP . . . 171.55 -95.08 0.1 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.532 1.145 . . . . 10.0 110.964 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 10' ' ' GLY . 53.0 t0 -38.44 -46.04 1.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 0.73 . . . . 10.0 109.266 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 143.95 -60.96 0.51 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.535 1.147 . . . . 10.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -39.05 1.32 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.475 1.776 . . . . 10.0 111.009 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 40.2 t -60.04 92.78 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 10.0 109.276 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -120.5 35.57 4.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 10.0 110.28 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.517 ' CA ' ' HB2' ' A' ' 8' ' ' LEU . . . -45.55 168.93 0.03 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.546 1.153 . . . . 10.0 111.021 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 57.7 mt -142.16 103.6 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.435 0.726 . . . . 10.0 109.323 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.538 ' CD1' ' N ' ' A' ' 19' ' ' ASN . 0.0 OUTLIER -115.41 128.66 72.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 10.0 109.266 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.538 ' N ' ' CD1' ' A' ' 18' ' ' ILE . 0.1 OUTLIER -123.79 145.89 48.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 10.0 109.31 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.539 ' CD1' HG12 ' A' ' 149' ' ' ILE . 5.3 m-85 -114.73 111.86 21.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 10.0 110.975 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -115.11 140.23 49.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 10.0 110.332 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -142.21 62.35 1.43 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 10.0 110.314 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.3 mttt -75.08 59.83 0.98 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 10.0 109.287 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -154.5 139.17 16.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 10.0 110.307 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.3 m -87.32 -12.25 47.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 10.0 109.965 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -152.97 34.31 0.48 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 10.0 109.28 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -123.26 167.9 15.5 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.479 1.112 . . . . 10.0 111.018 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.407 ' HB3' ' N ' ' A' ' 102' ' ' SER . 18.2 Cg_endo -74.98 168.92 23.76 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.516 1.798 . . . . 10.0 111.023 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 37.5 t -89.98 113.56 26.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 10.0 109.268 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.405 ' O ' ' CE3' ' A' ' 32' ' ' TRP . 0.1 OUTLIER -68.85 97.58 0.85 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 10.0 109.291 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.456 HG11 ' CZ ' ' A' ' 20' ' ' PHE . 54.4 t -94.94 124.69 47.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 10.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.405 ' CE3' ' O ' ' A' ' 30' ' ' LYS . 8.0 p90 -159.06 143.2 15.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 10.0 107.982 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -157.23 -168.81 20.3 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.513 1.133 . . . . 10.0 110.982 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 74.0 m -157.0 122.83 4.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 0.772 . . . . 10.0 109.989 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.467 ' HA ' ' CA ' ' A' ' 16' ' ' GLY . 0.1 OUTLIER -83.0 164.8 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 10.0 109.313 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.459 ' HG2' ' O ' ' A' ' 35' ' ' ILE . 16.9 mttt -155.8 105.74 2.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 10.0 109.308 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.455 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 144.04 -45.51 0.87 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.535 1.147 . . . . 10.0 110.966 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.478 ' CD2' ' CG ' ' A' ' 43' ' ' HIS . 0.6 OUTLIER -52.67 -170.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 0.799 . . . . 10.0 109.32 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.461 ' O ' ' N ' ' A' ' 41' ' ' GLY . 12.1 p -139.57 144.21 37.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 10.0 110.357 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -40.42 95.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 10.0 110.277 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 39' ' ' THR . . . -177.48 -160.34 24.03 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.507 1.129 . . . . 10.0 111.018 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 5.4 mp -104.79 136.4 44.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 0.769 . . . . 10.0 109.322 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.521 ' CE1' ' CG2' ' A' ' 87' ' ' VAL . 1.5 p80 -139.46 125.71 20.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 10.0 109.582 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.431 ' HA3' ' CG ' ' A' ' 120' ' ' HIS . . . -37.83 153.99 0.02 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.481 1.113 . . . . 10.0 110.987 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.562 ' CE2' HG13 ' A' ' 87' ' ' VAL . 0.2 OUTLIER -83.68 157.36 22.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 0.724 . . . . 10.0 110.985 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.478 ' CG ' HG23 ' A' ' 47' ' ' VAL . 0.1 OUTLIER -59.76 173.2 0.6 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 10.0 109.602 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.478 HG23 ' CG ' ' A' ' 46' ' ' HIS . 57.3 t 65.24 77.63 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 10.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.436 ' ND1' ' O ' ' A' ' 45' ' ' PHE . 55.2 m80 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 10.0 109.593 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.031 0 N-CA-C 111.005 -0.838 . . . . 10.0 111.005 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -123.74 89.06 3.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 0.791 . . . . 10.0 109.325 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -93.28 -73.09 0.57 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.105 . . . . 10.0 109.336 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -177.37 -87.62 0.07 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.476 1.11 . . . . 10.0 110.999 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -148.09 161.47 41.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 0.778 . . . . 10.0 109.325 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.562 HG13 ' CE2' ' A' ' 45' ' ' PHE . 5.1 m -117.58 -156.57 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 10.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -155.05 144.04 20.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.428 1.08 . . . . 10.0 110.392 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.46 ' CB ' ' HA2' ' A' ' 93' ' ' GLY . . . -85.37 175.11 9.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 10.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.431 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 9.1 t70 -82.96 -97.59 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 10.0 109.328 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.431 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 18.1 mtmt -136.25 9.61 3.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 10.0 109.362 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -153.41 23.2 0.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.165 . . . . 10.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.46 ' HA2' ' CB ' ' A' ' 89' ' ' ALA . . . 91.14 -34.29 4.35 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.428 1.08 . . . . 10.0 111.021 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.455 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 19.6 t -39.93 101.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.492 0.76 . . . . 10.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -104.49 116.4 32.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 10.0 109.28 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -105.09 150.26 25.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 10.0 109.312 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 76.9 t -127.39 157.73 38.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 10.0 109.283 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 25.4 p -164.44 100.98 0.82 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 10.0 110.004 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.9 mt -144.11 165.52 13.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 10.0 109.307 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -133.5 107.31 7.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 10.0 110.292 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -103.55 128.1 50.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 10.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.407 ' N ' ' HB3' ' A' ' 28' ' ' PRO . 0.0 OUTLIER -111.89 -43.6 3.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 10.0 110.04 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 75.7 t -48.43 -42.14 11.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 10.0 109.345 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.526 ' C ' ' CD1' ' A' ' 104' ' ' ILE . 1.5 pp -77.8 174.92 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 10.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.42 140.43 15.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.421 1.076 . . . . 10.0 110.027 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -47.31 -45.73 24.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 10.0 109.312 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 12.3 p -143.61 153.18 42.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.429 1.081 . . . . 10.0 110.046 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 131.09 -130.72 6.16 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.486 1.116 . . . . 10.0 111.017 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.8 -42.65 49.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 0.774 . . . . 10.0 109.324 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 40.2 m80 -112.38 63.55 0.63 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 10.0 109.579 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 99.3 p -68.2 110.91 4.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 10.0 109.994 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.437 ' CG2' ' HB ' ' A' ' 104' ' ' ILE . 24.7 pt -88.39 -9.77 10.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 10.0 109.25 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 12.8 mm -64.14 100.38 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.502 1.126 . . . . 10.0 109.232 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 130.23 39.92 0.27 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.51 1.131 . . . . 10.0 110.988 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.432 ' O ' ' N ' ' A' ' 117' ' ' LEU . 14.8 mmm-85 -103.42 94.66 5.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 0.731 . . . . 10.0 110.317 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 57.9 m -58.72 85.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 10.0 110.414 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 115' ' ' ARG . 0.7 OUTLIER -67.77 114.16 6.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 10.0 109.323 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.457 ' CG2' ' N ' ' A' ' 119' ' ' VAL . 2.0 p -135.78 164.59 32.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 10.0 109.304 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.465 ' CG1' HD11 ' A' ' 35' ' ' ILE . 11.9 m -116.91 146.34 21.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 10.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . 0.431 ' CG ' ' HA3' ' A' ' 44' ' ' GLY . 10.5 m170 -84.82 141.68 30.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 10.0 109.605 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.459 ' HB3' ' CB ' ' A' ' 142' ' ' SER . 1.5 tt0 -94.51 67.89 3.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 10.0 110.35 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.47 ' CB ' ' HB1' ' A' ' 140' ' ' ALA . 0.1 OUTLIER 168.27 177.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 10.0 109.304 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -115.77 115.65 26.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 10.0 109.305 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -64.61 -12.2 43.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 10.0 109.303 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 55.55 32.81 19.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 10.0 109.266 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.8 mt 52.33 22.47 2.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 10.0 109.268 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 129.53 128.93 3.08 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.512 1.132 . . . . 10.0 110.992 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.34 -25.11 31.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 0.771 . . . . 10.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 115.61 -46.0 1.22 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.503 1.127 . . . . 10.0 111.008 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -68.18 -162.51 2.27 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 110.979 -0.848 . . . . 10.0 110.979 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . 0.526 ' O ' ' CB ' ' A' ' 132' ' ' GLU . 14.8 p30 -143.63 147.9 35.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 0.747 . . . . 10.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . 0.526 ' CB ' ' O ' ' A' ' 131' ' ' ASN . 7.0 tt0 88.47 31.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 10.0 110.311 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . 0.402 ' O ' ' OG1' ' A' ' 137' ' ' THR . 0.8 OUTLIER -159.82 -64.64 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 10.0 110.344 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 2.2 p -82.76 -12.49 57.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 10.0 110.029 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 61.9 p -79.82 -21.27 44.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 10.0 110.368 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.39 -40.24 4.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 10.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 133' ' ' GLN . 47.0 p -124.04 -105.39 0.36 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 10.0 110.367 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -171.83 40.81 0.17 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.566 1.167 . . . . 10.0 110.966 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 25.9 t30 44.19 64.08 1.42 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 0.764 . . . . 10.0 109.315 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . 0.47 ' HB1' ' CB ' ' A' ' 122' ' ' LYS . . . 177.75 -61.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.117 . . . . 10.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 140' ' ' ALA . . . 35.73 90.08 0.01 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.509 1.131 . . . . 10.0 111.028 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' SER . . . . . 0.459 ' CB ' ' HB3' ' A' ' 121' ' ' GLU . 0.6 OUTLIER -130.86 93.0 3.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 0.744 . . . . 10.0 110.012 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . 0.428 ' NH1' ' HB2' ' A' ' 143' ' ' ARG . 13.4 mtp-105 -71.83 138.51 48.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 10.0 110.307 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 9.6 mt -141.94 -70.44 0.35 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 10.0 109.293 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . 0.486 ' CB ' HD12 ' A' ' 8' ' ' LEU . . . -73.84 172.03 12.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 10.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 5.2 t -156.1 68.88 0.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.117 . . . . 10.0 108.286 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 117' ' ' LEU . . . -80.05 68.18 3.31 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.482 1.114 . . . . 10.0 111.003 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 3.0 t -59.88 136.67 23.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.496 0.762 . . . . 10.0 109.319 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 149' ' ' ILE . . . . . 0.539 HG12 ' CD1' ' A' ' 20' ' ' PHE . 3.4 tp -88.46 113.06 24.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 10.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -131.86 148.22 18.97 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.461 1.101 . . . . 10.0 110.987 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 38.7 mm -59.84 144.01 13.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.479 0.753 . . . . 10.0 109.307 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . 0.432 ' CB ' HG22 ' A' ' 5' ' ' VAL . . . -146.19 169.18 19.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 10.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 10.0 110.259 -179.964 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.474 ' CG2' HD12 ' A' ' 151' ' ' ILE . 2.9 m . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.363 -0.236 . . . . 10.0 110.363 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 60.0 tttt -111.97 136.63 51.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.107 . . . . 10.0 109.293 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . 0.485 ' CB ' ' HB2' ' A' ' 20' ' ' PHE . . . -111.93 158.0 20.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 10.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.0 t -138.01 151.3 25.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 10.0 109.318 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.454 ' CB ' ' O ' ' A' ' 147' ' ' GLY . . . -155.27 90.0 1.24 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.424 1.078 . . . . 10.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 28.6 m -81.22 108.16 14.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 10.0 109.294 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.473 ' HB2' ' N ' ' A' ' 16' ' ' GLY . 0.2 OUTLIER -52.12 138.96 24.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 10.0 109.346 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.9 tttt -173.0 117.26 0.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 10.0 109.269 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -171.32 -84.39 0.06 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.493 1.121 . . . . 10.0 111.034 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -40.39 -42.62 1.62 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 0.748 . . . . 10.0 109.342 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 135.95 -61.43 0.62 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.443 1.09 . . . . 10.0 111.052 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -51.04 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.553 1.817 . . . . 10.0 111.02 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.4 p -53.25 101.49 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 10.0 109.284 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.73 50.31 1.63 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 10.0 110.295 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.487 ' CA ' ' HA ' ' A' ' 35' ' ' ILE . . . -56.71 165.36 5.18 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.466 1.104 . . . . 10.0 110.968 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 30.7 mt -140.47 101.8 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 0.75 . . . . 10.0 109.29 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.507 ' C ' ' CD1' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -119.48 138.96 48.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 10.0 109.286 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -128.43 169.05 14.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 10.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.584 ' CZ ' HG23 ' A' ' 31' ' ' VAL . 1.8 m-85 -125.89 133.45 51.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 10.0 111.021 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -123.64 124.56 43.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 10.0 110.289 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -155.15 81.04 1.06 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.108 . . . . 10.0 110.287 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.3 mtpt -85.53 48.82 1.65 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 10.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.418 ' HB3' ' N ' ' A' ' 27' ' ' GLY . 6.5 mm-40 -155.39 141.63 18.48 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.117 . . . . 10.0 110.279 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.81 -10.51 59.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 10.0 110.004 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 49.8 p30 -154.61 33.42 0.41 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 10.0 109.306 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.418 ' N ' ' HB3' ' A' ' 24' ' ' GLU . . . -111.43 -179.17 20.18 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.484 1.115 . . . . 10.0 111.027 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.462 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 18.2 Cg_endo -75.06 156.86 42.76 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.539 1.81 . . . . 10.0 110.989 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.439 HG13 ' CD2' ' A' ' 20' ' ' PHE . 24.8 t -109.72 97.07 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 10.0 109.278 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 34.9 mttt -66.0 93.49 0.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 10.0 109.301 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.584 HG23 ' CZ ' ' A' ' 20' ' ' PHE . 13.0 t -92.62 138.17 20.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 10.0 109.286 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 7.1 p90 -161.1 152.82 19.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 10.0 108.016 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -169.3 -174.04 37.42 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.556 1.16 . . . . 10.0 110.996 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 25.6 p -157.53 124.97 5.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 0.756 . . . . 10.0 110.003 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.507 ' O ' ' CG ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -84.79 163.16 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 10.0 109.275 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.507 ' CG ' ' O ' ' A' ' 35' ' ' ILE . 26.4 mttm -157.13 106.59 2.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 10.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.406 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 141.19 -39.99 1.38 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.503 1.127 . . . . 10.0 110.941 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.532 HD23 ' CE1' ' A' ' 43' ' ' HIS . 0.3 OUTLIER -54.02 -170.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 0.759 . . . . 10.0 109.325 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.3 p -130.62 136.33 48.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 10.0 110.388 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.21 122.16 1.23 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 10.0 110.282 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.411 ' O ' ' HA ' ' A' ' 88' ' ' THR . . . 155.1 -147.45 16.47 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.449 1.093 . . . . 10.0 111.002 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.456 ' O ' ' ND1' ' A' ' 43' ' ' HIS . 0.3 OUTLIER -102.81 150.7 23.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 0.782 . . . . 10.0 109.284 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.532 ' CE1' HD23 ' A' ' 38' ' ' LEU . 41.3 m-70 -151.28 115.95 5.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 10.0 109.594 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.538 ' CA ' ' HB2' ' A' ' 120' ' ' HIS . . . -71.28 78.23 0.56 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.53 1.144 . . . . 10.0 111.018 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.639 ' CZ ' ' CB ' ' A' ' 117' ' ' LEU . 1.0 OUTLIER -72.92 114.39 11.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.442 0.731 . . . . 10.0 110.981 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.535 ' NE2' ' CD2' ' A' ' 120' ' ' HIS . 13.0 p80 -175.93 176.14 1.85 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 10.0 109.594 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 9.5 t -77.91 160.19 4.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 10.0 109.28 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.603 ' CD2' ' O ' ' A' ' 142' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 10.0 109.575 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 111.042 -0.823 . . . . 10.0 111.042 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -51.98 136.24 29.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 0.752 . . . . 10.0 109.27 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 14.3 tp -164.21 47.29 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 10.0 109.277 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 38.58 -157.48 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.496 1.123 . . . . 10.0 110.975 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -127.65 175.71 8.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 0.745 . . . . 10.0 109.323 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 23.6 m -130.33 -164.54 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 10.0 109.331 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.411 ' HA ' ' O ' ' A' ' 41' ' ' GLY . 23.3 m -151.05 138.3 19.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 10.0 110.404 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' A' ' 93' ' ' GLY . . . -84.99 175.08 9.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 10.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.448 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 15.4 t0 -86.95 -98.63 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 10.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.448 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 19.9 pttt -136.9 9.75 3.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 10.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -146.59 18.58 1.32 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 10.0 109.269 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.441 ' HA3' ' C ' ' A' ' 38' ' ' LEU . . . 90.04 -24.62 14.94 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.493 1.121 . . . . 10.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.486 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 15.1 t -48.03 110.39 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.543 0.79 . . . . 10.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -118.15 121.39 40.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 10.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -112.28 152.64 28.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 10.0 109.305 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.418 HG13 ' N ' ' A' ' 98' ' ' SER . 55.7 t -134.37 159.76 41.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 10.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.418 ' N ' HG13 ' A' ' 97' ' ' VAL . 93.2 p -164.48 99.42 0.81 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 10.0 109.968 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 4.3 mt -125.75 146.36 31.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 10.0 109.302 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -131.22 90.34 2.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 10.0 110.285 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.462 ' O ' ' CB ' ' A' ' 28' ' ' PRO . 0.4 OUTLIER -113.03 162.37 15.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 10.0 109.268 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 26.8 p -134.06 31.18 3.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 10.0 110.04 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -105.84 -42.12 6.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 10.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.417 ' HA ' ' CG ' ' A' ' 110' ' ' HIS . 0.0 OUTLIER -70.34 177.31 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 10.0 109.303 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' SER . . . . . 0.434 ' O ' ' N ' ' A' ' 112' ' ' ILE . 3.2 m -150.97 146.99 26.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 10.0 109.962 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.413 ' CD1' HG23 ' A' ' 2' ' ' THR . 12.7 mt -62.74 -53.8 48.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 10.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 5.5 t -144.99 68.67 1.24 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 10.0 110.002 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -141.58 -144.28 4.37 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.448 1.092 . . . . 10.0 111.012 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -55.82 -32.13 63.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 0.768 . . . . 10.0 109.292 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . 0.417 ' CG ' ' HA ' ' A' ' 104' ' ' ILE . 10.9 m80 -94.37 -55.8 3.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 10.0 109.607 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 4.5 t 53.39 99.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 10.0 109.97 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.552 ' CD1' ' CE2' ' A' ' 20' ' ' PHE . 1.3 pp -89.96 -26.16 5.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 10.0 109.328 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 18.0 mm -50.25 122.57 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 10.0 109.351 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 107.17 8.02 31.95 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.557 1.16 . . . . 10.0 110.976 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.455 ' O ' ' CD1' ' A' ' 149' ' ' ILE . 18.4 mtt180 -98.13 148.8 23.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 0.801 . . . . 10.0 110.284 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.515 ' HG1' ' N ' ' A' ' 147' ' ' GLY . 8.1 t -142.22 134.72 28.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 10.0 110.392 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.639 ' CB ' ' CZ ' ' A' ' 45' ' ' PHE . 0.3 OUTLIER -90.73 76.55 6.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 10.0 109.332 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.501 ' CG1' ' O ' ' A' ' 145' ' ' ALA . 2.7 t -72.3 99.61 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 10.0 109.279 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.483 ' CG1' HD12 ' A' ' 35' ' ' ILE . 21.1 m -41.61 146.66 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 10.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . 0.538 ' HB2' ' CA ' ' A' ' 44' ' ' GLY . 0.3 OUTLIER -84.52 115.68 22.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 10.0 109.588 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 120' ' ' HIS . 3.5 tm-20 -38.57 -28.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 10.0 110.342 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.486 ' CB ' ' HB3' ' A' ' 140' ' ' ALA . 1.6 ttmt -151.78 155.53 38.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 10.0 109.301 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -50.26 176.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 10.0 109.278 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.408 ' CG ' ' O ' ' A' ' 127' ' ' GLY . 57.0 t0 -138.61 44.9 2.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 10.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 47.11 27.79 0.84 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 10.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 25.6 mt 54.86 19.6 2.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 10.0 109.312 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . 0.408 ' O ' ' CG ' ' A' ' 124' ' ' ASP . . . -175.28 -109.07 0.23 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.506 1.129 . . . . 10.0 111.02 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 44.8 mtmt -123.11 -77.2 0.59 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 0.754 . . . . 10.0 109.264 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 86.13 -38.41 3.07 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.485 1.116 . . . . 10.0 111.011 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -106.32 -155.24 21.05 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.008 -0.837 . . . . 10.0 111.008 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -149.32 143.96 26.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 0.749 . . . . 10.0 109.266 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 51.97 28.14 4.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 10.0 110.292 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -153.29 -78.81 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 10.0 110.328 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' SER . . . . . 0.445 ' HA ' ' CA ' ' A' ' 138' ' ' GLY . 39.8 m -62.65 -22.61 66.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 10.0 110.008 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 23.5 p -68.24 -34.8 76.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 10.0 110.389 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 16.7 pttt -96.58 -24.44 16.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 10.0 109.321 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' THR . . . . . 0.428 ' OG1' ' N ' ' A' ' 138' ' ' GLY . 81.1 p -136.36 -100.84 0.21 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 10.0 110.416 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 140' ' ' ALA . . . 174.24 36.93 0.04 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.54 1.15 . . . . 10.0 110.96 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' ASN . . . . . 0.422 ' C ' ' O ' ' A' ' 138' ' ' GLY . 51.4 t30 37.41 32.89 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 0.764 . . . . 10.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . 0.486 ' HB3' ' CB ' ' A' ' 122' ' ' LYS . . . -115.26 -63.15 1.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 10.0 109.334 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 116.71 68.91 0.41 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.474 1.108 . . . . 10.0 111.001 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' SER . . . . . 0.603 ' O ' ' CD2' ' A' ' 48' ' ' HIS . 68.8 p -58.07 101.38 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 0.756 . . . . 10.0 110.017 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . 0.575 ' HG2' ' CE1' ' A' ' 48' ' ' HIS . 6.4 mtt85 -165.19 93.71 0.61 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 10.0 110.271 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . 0.479 ' HB2' ' CG2' ' A' ' 119' ' ' VAL . 5.6 mp -152.94 -103.18 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 10.0 109.27 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . 0.501 ' O ' ' CG1' ' A' ' 118' ' ' VAL . . . -77.14 175.56 9.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 10.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -153.48 68.44 0.79 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 10.0 108.309 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . 0.515 ' N ' ' HG1' ' A' ' 116' ' ' THR . . . -68.27 60.83 0.41 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.498 1.124 . . . . 10.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . 0.47 ' CG2' ' HB ' ' A' ' 116' ' ' THR . 2.9 t -57.41 104.6 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.52 0.776 . . . . 10.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 149' ' ' ILE . . . . . 0.575 HG12 ' CE1' ' A' ' 20' ' ' PHE . 4.2 mp -56.31 122.47 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 10.0 109.267 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -142.72 137.5 7.78 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.514 1.133 . . . . 10.0 110.968 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . 0.474 HD12 ' CG2' ' A' ' 2' ' ' THR . 27.4 mm -52.6 146.87 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.463 0.743 . . . . 10.0 109.312 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -150.22 174.81 12.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 10.0 109.279 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 10.0 110.322 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.456 ' HB ' ' CD2' ' A' ' 106' ' ' LEU . 54.0 m . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 110.371 -0.233 . . . . 10.0 110.371 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -115.3 99.24 7.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 10.0 109.304 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . 0.462 ' CB ' ' HB2' ' A' ' 20' ' ' PHE . . . -84.82 169.32 14.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 10.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -148.08 145.34 18.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 10.0 109.358 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.449 ' CB ' HG13 ' A' ' 18' ' ' ILE . . . -138.3 104.72 5.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 10.0 109.306 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 70.2 t -84.3 88.14 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 10.0 109.266 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.529 ' HB2' ' CA ' ' A' ' 16' ' ' GLY . 2.2 mm? -40.7 146.93 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 10.0 109.273 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.44 129.06 0.2 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 10.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.434 ' O ' ' C ' ' A' ' 11' ' ' ASP . . . -178.62 -91.92 0.08 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.485 1.115 . . . . 10.0 111.034 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 10' ' ' GLY . 33.9 t0 -38.11 -36.16 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 0.762 . . . . 10.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 137.04 -64.55 0.57 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.515 1.135 . . . . 10.0 110.983 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.469 ' O ' ' N ' ' A' ' 15' ' ' GLN . 18.3 Cg_endo -75.0 -37.08 2.18 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.5 1.789 . . . . 10.0 110.965 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.49 ' O ' ' CG1' ' A' ' 14' ' ' VAL . 1.9 t -54.9 88.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 10.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 13' ' ' PRO . 0.2 OUTLIER -113.5 35.28 4.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 10.0 110.32 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.529 ' CA ' ' HB2' ' A' ' 8' ' ' LEU . . . -47.29 163.17 0.22 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.46 1.1 . . . . 10.0 110.994 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.406 HG13 ' C ' ' A' ' 16' ' ' GLY . 64.4 mt -142.5 105.98 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.538 0.787 . . . . 10.0 109.25 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.551 ' CD1' ' CD1' ' A' ' 20' ' ' PHE . 0.6 OUTLIER -99.3 159.45 3.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 10.0 109.283 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -144.05 116.76 8.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 10.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.551 ' CD1' ' CD1' ' A' ' 18' ' ' ILE . 1.9 m-30 -95.07 96.45 9.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 10.0 111.014 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -107.61 122.99 47.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 10.0 110.299 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -135.39 59.26 1.73 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 10.0 110.276 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -73.0 63.07 0.64 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 10.0 109.307 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.461 ' O ' ' CB ' ' A' ' 25' ' ' SER . 31.2 mm-40 -132.69 -52.49 0.93 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 10.0 110.339 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.461 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 0.2 OUTLIER 83.39 -10.03 1.01 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 10.0 110.028 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -157.35 26.0 0.3 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 10.0 109.325 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -133.93 -174.43 13.52 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.506 1.129 . . . . 10.0 110.972 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 157.4 42.67 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.535 1.808 . . . . 10.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 24.3 t -88.51 120.64 37.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 10.0 109.343 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.0 tttt -69.79 91.22 0.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 10.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.445 HG21 ' CZ ' ' A' ' 20' ' ' PHE . 92.6 t -88.58 119.23 35.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 10.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -159.67 160.42 34.16 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.03 -1.1 . . . . 10.0 108.03 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.409 ' HA3' ' HA ' ' A' ' 18' ' ' ILE . . . 179.43 -162.84 29.86 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.488 1.117 . . . . 10.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.9 p -156.58 124.17 5.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 0.785 . . . . 10.0 110.043 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.471 ' HA ' ' CA ' ' A' ' 16' ' ' GLY . 0.0 OUTLIER -84.26 166.06 2.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.111 . . . . 10.0 109.293 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.433 ' HG2' ' O ' ' A' ' 35' ' ' ILE . 12.0 mttt -152.05 96.36 2.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 10.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.448 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 148.77 -34.14 1.14 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.456 1.098 . . . . 10.0 111.015 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.565 ' CD1' ' CG ' ' A' ' 43' ' ' HIS . 0.2 OUTLIER -53.04 -170.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 0.742 . . . . 10.0 109.319 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.416 ' O ' ' N ' ' A' ' 41' ' ' GLY . 20.4 p -137.43 142.82 41.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 10.0 110.425 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -39.04 98.22 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.142 . . . . 10.0 110.348 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 39' ' ' THR . . . 161.76 176.59 34.01 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.484 1.115 . . . . 10.0 110.972 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -74.72 146.45 42.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 0.775 . . . . 10.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.565 ' CG ' ' CD1' ' A' ' 38' ' ' LEU . 7.5 p80 -153.25 151.14 29.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.401 1.063 . . . . 10.0 109.61 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -82.25 159.45 39.16 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.528 1.142 . . . . 10.0 111.021 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.58 ' CZ ' ' HB3' ' A' ' 117' ' ' LEU . 58.3 t80 -169.03 97.45 0.36 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.428 0.722 . . . . 10.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.458 ' CE1' ' HB3' ' A' ' 48' ' ' HIS . 7.6 p80 -167.42 175.56 7.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 10.0 109.566 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 3.5 t -95.11 109.58 22.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 10.0 109.299 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.459 ' ND1' ' O ' ' A' ' 48' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 10.0 109.575 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.437 ' O ' ' C ' ' A' ' 83' ' ' ASP . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 110.958 -0.857 . . . . 10.0 110.958 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.467 ' O ' ' CD1' ' A' ' 84' ' ' LEU . 9.1 p-10 36.59 82.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 0.784 . . . . 10.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.467 ' CD1' ' O ' ' A' ' 83' ' ' ASP . 0.0 OUTLIER 172.18 114.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 10.0 109.312 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -54.4 -167.16 0.03 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.493 1.121 . . . . 10.0 110.982 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 64.6 m-20 -94.02 163.32 13.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 0.774 . . . . 10.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.5 t -127.63 167.93 21.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 10.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 92.7 m -139.96 150.67 44.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 10.0 110.408 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.486 ' HB2' ' CA ' ' A' ' 93' ' ' GLY . . . -87.6 164.43 16.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 10.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.437 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 5.6 t70 -79.65 -94.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 10.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.513 ' CG ' ' O ' ' A' ' 91' ' ' LYS . 11.9 tttt -139.47 12.99 2.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 10.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -152.84 22.9 0.58 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.085 . . . . 10.0 109.269 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.486 ' CA ' ' HB2' ' A' ' 89' ' ' ALA . . . 93.1 -35.57 4.05 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.48 1.112 . . . . 10.0 111.033 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.432 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 55.6 t -41.55 108.74 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 0.766 . . . . 10.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -114.53 118.36 33.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.116 . . . . 10.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -102.06 146.21 28.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.138 . . . . 10.0 109.308 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 30.6 t -114.5 163.58 11.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 10.0 109.345 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 90.6 p -168.34 96.06 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 10.0 110.02 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.8 mt -143.56 159.25 16.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.497 1.123 . . . . 10.0 109.304 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -122.0 105.18 10.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.136 . . . . 10.0 110.259 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -84.35 109.46 17.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.453 1.095 . . . . 10.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 62.9 p -92.82 -7.08 47.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 10.0 109.95 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 77.1 t -86.48 -84.03 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 10.0 109.311 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.531 ' C ' ' CD1' ' A' ' 104' ' ' ILE . 1.7 pp -57.58 173.91 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 10.0 109.269 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 20.2 p 179.98 179.86 0.51 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.559 1.162 . . . . 10.0 110.004 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.456 ' CD2' ' HB ' ' A' ' 2' ' ' THR . 0.9 OUTLIER -99.01 48.76 0.96 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 10.0 109.274 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' SER . . . . . 0.465 ' O ' ' N ' ' A' ' 109' ' ' ASP . 0.3 OUTLIER -105.68 60.97 0.66 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 10.0 109.992 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.473 ' O ' ' CB ' ' A' ' 111' ' ' SER . . . 52.52 -87.52 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.511 1.132 . . . . 10.0 111.0 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 107' ' ' SER . 0.3 OUTLIER -55.43 -34.63 64.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 0.745 . . . . 10.0 109.333 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . 0.464 ' O ' ' C ' ' A' ' 111' ' ' SER . 12.4 m80 -84.53 -16.76 41.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 10.0 109.572 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.473 ' CB ' ' O ' ' A' ' 108' ' ' GLY . 76.3 p -33.52 116.96 0.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 10.0 110.008 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.493 ' CG2' ' HB ' ' A' ' 104' ' ' ILE . 0.1 OUTLIER -85.97 -12.81 11.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 10.0 109.304 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' A' ' 112' ' ' ILE . 34.8 mm -40.07 113.77 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 10.0 109.327 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 116.63 20.66 4.94 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.556 1.16 . . . . 10.0 111.019 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.427 ' HB3' ' CD2' ' A' ' 117' ' ' LEU . 0.0 OUTLIER -84.72 106.95 16.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 0.78 . . . . 10.0 110.261 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.492 ' CG2' ' HB3' ' A' ' 146' ' ' CYS . 5.4 m -89.98 83.0 6.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 10.0 110.419 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.58 ' HB3' ' CZ ' ' A' ' 45' ' ' PHE . 2.7 mm? -71.09 76.6 0.68 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 10.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.461 HG11 ' CB ' ' A' ' 143' ' ' ARG . 2.7 t -66.97 139.47 21.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 10.0 109.271 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.477 ' CG1' HD11 ' A' ' 8' ' ' LEU . 1.9 m -99.64 133.17 43.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 10.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . 0.416 ' ND1' ' HA2' ' A' ' 141' ' ' GLY . 10.6 m-70 -91.3 140.71 29.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 10.0 109.613 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -46.87 -25.99 0.88 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 10.0 110.278 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 3.1 tttp -145.29 -171.89 3.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 10.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.423 ' HB2' ' N ' ' A' ' 43' ' ' HIS . . . -111.82 -166.07 1.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 10.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.415 ' C ' ' N ' ' A' ' 126' ' ' LEU . 4.9 t70 -101.16 5.1 42.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 10.0 109.262 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 48.12 24.06 0.6 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 10.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.415 ' N ' ' C ' ' A' ' 124' ' ' ASP . 7.5 mt 59.89 15.8 5.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.117 . . . . 10.0 109.295 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 172.32 -46.75 0.17 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.483 1.115 . . . . 10.0 111.03 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 129' ' ' GLY . 0.0 OUTLIER 49.48 23.64 0.94 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 0.799 . . . . 10.0 109.278 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . 0.426 ' C ' ' O ' ' A' ' 128' ' ' LYS . . . 35.73 45.32 0.76 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.492 1.12 . . . . 10.0 110.972 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -133.89 160.63 24.14 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.047 -0.821 . . . . 10.0 111.047 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -138.55 134.09 33.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 0.777 . . . . 10.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 73.05 7.66 5.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.567 1.167 . . . . 10.0 110.292 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -132.7 -66.66 0.67 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 10.0 110.285 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' SER . . . . . 0.418 ' HA ' ' CA ' ' A' ' 138' ' ' GLY . 95.0 p -83.98 -23.57 30.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 10.0 110.007 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.2 p -66.65 -16.4 64.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 10.0 110.391 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 3.0 pttt -109.06 -46.08 3.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 10.0 109.292 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 19.5 p -117.88 -82.05 0.63 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 10.0 110.408 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . 0.418 ' CA ' ' HA ' ' A' ' 134' ' ' SER . . . 160.85 42.68 0.02 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.498 1.124 . . . . 10.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 39.45 33.07 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 0.766 . . . . 10.0 109.334 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . 0.4 ' N ' ' C ' ' A' ' 138' ' ' GLY . . . -154.49 24.89 0.46 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 10.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . 0.416 ' HA2' ' ND1' ' A' ' 120' ' ' HIS . . . -80.52 81.34 1.58 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.498 1.124 . . . . 10.0 111.027 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' SER . . . . . 0.409 ' O ' ' O ' ' A' ' 143' ' ' ARG . 4.9 t -111.3 -14.82 13.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 0.786 . . . . 10.0 109.964 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . 0.461 ' CB ' HG11 ' A' ' 118' ' ' VAL . 6.5 mtm180 60.69 132.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 10.0 110.288 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . 0.443 ' O ' ' CB ' ' A' ' 145' ' ' ALA . 0.4 OUTLIER -170.08 58.44 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 10.0 109.329 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . 0.443 ' CB ' ' O ' ' A' ' 144' ' ' LEU . . . 166.57 149.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 10.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' CYS . . . . . 0.492 ' HB3' ' CG2' ' A' ' 116' ' ' THR . 9.0 m -155.01 60.51 0.65 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.095 . . . . 10.0 108.304 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . 0.424 ' CA ' ' HA ' ' A' ' 8' ' ' LEU . . . -43.89 -51.14 7.18 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.483 1.115 . . . . 10.0 111.0 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 2.3 t 65.56 123.88 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.487 0.757 . . . . 10.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 1.8 mp -79.01 129.46 37.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 10.0 109.256 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -132.83 152.44 20.31 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.512 1.132 . . . . 10.0 110.941 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 45.3 mm -69.45 133.21 32.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.541 0.789 . . . . 10.0 109.294 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -90.88 174.62 7.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.109 . . . . 10.0 109.315 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 3.7 pp0? . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 10.0 110.243 -179.972 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.485 ' CG2' HD12 ' A' ' 151' ' ' ILE . 94.4 m . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.356 -0.239 . . . . 10.0 110.356 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.44 ' O ' ' CB ' ' A' ' 152' ' ' ALA . 4.6 tttt -87.61 110.35 20.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 10.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . 0.467 ' HB2' ' CG2' ' A' ' 149' ' ' ILE . . . -93.09 167.61 11.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 10.0 109.345 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -144.59 141.43 23.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 10.0 109.3 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.482 ' CB ' HG13 ' A' ' 18' ' ' ILE . . . -134.56 105.76 6.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 10.0 109.286 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.3 p -83.59 96.96 4.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 10.0 109.277 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.482 ' HB2' ' N ' ' A' ' 16' ' ' GLY . 0.3 OUTLIER -43.21 145.24 0.56 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.113 . . . . 10.0 109.238 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 29.2 tttt -166.31 117.51 1.0 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.084 . . . . 10.0 109.346 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 11' ' ' ASP . . . -154.1 -107.55 0.3 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.492 1.12 . . . . 10.0 110.95 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.426 ' C ' ' OD1' ' A' ' 11' ' ' ASP . 3.8 t0 -38.87 -59.19 0.99 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 0.747 . . . . 10.0 109.332 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.483 ' N ' ' CD ' ' A' ' 13' ' ' PRO . . . 165.53 -52.3 0.27 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.45 1.093 . . . . 10.0 111.05 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.483 ' CD ' ' N ' ' A' ' 12' ' ' GLY . 18.4 Cg_endo -74.99 -26.43 10.94 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.498 1.789 . . . . 10.0 111.022 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 34.8 t -66.4 89.07 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 10.0 109.28 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -116.82 31.21 6.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 10.0 110.322 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.482 ' N ' ' HB2' ' A' ' 8' ' ' LEU . . . -46.66 162.54 0.18 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.448 1.092 . . . . 10.0 110.97 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 36.5 mt -140.64 102.87 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 0.769 . . . . 10.0 109.321 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.482 HG13 ' CB ' ' A' ' 6' ' ' ALA . 0.8 OUTLIER -96.5 162.02 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 10.0 109.278 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -142.01 119.46 11.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 10.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.446 ' CD1' ' CD1' ' A' ' 18' ' ' ILE . 1.6 m-85 -95.0 108.52 20.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 10.0 111.037 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.09 121.36 44.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.1 . . . . 10.0 110.332 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.424 ' NE2' ' HA ' ' A' ' 25' ' ' SER . 5.3 tt0 -123.05 71.92 1.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 10.0 110.323 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.7 mttt -72.12 61.46 0.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.107 . . . . 10.0 109.266 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.504 ' O ' ' CB ' ' A' ' 25' ' ' SER . 0.6 OUTLIER -155.87 -47.03 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 10.0 110.316 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 2.6 t 85.15 -12.52 0.7 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 10.0 110.014 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 41.6 p30 -159.22 26.89 0.2 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 10.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -125.47 -150.67 7.79 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.521 1.138 . . . . 10.0 111.013 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.475 ' HB3' ' CA ' ' A' ' 102' ' ' SER . 18.1 Cg_endo -75.0 165.23 31.75 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.51 1.795 . . . . 10.0 110.984 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.444 ' O ' ' N ' ' A' ' 31' ' ' VAL . 43.4 t -113.11 99.18 8.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 10.0 109.273 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.4 mttt -52.62 92.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 10.0 109.277 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.444 ' N ' ' O ' ' A' ' 29' ' ' VAL . 97.2 t -84.87 127.07 40.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 10.0 109.299 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.482 ' CD1' ' N ' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -162.46 163.35 27.63 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.979 -1.119 . . . . 10.0 107.979 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.482 ' N ' ' CD1' ' A' ' 32' ' ' TRP . . . 168.74 -164.59 38.19 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.523 1.139 . . . . 10.0 111.006 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 88.0 p -157.2 120.21 4.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 0.776 . . . . 10.0 109.991 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.477 HG22 ' CD1' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -83.97 167.93 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 10.0 109.286 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.469 ' N ' ' CG2' ' A' ' 35' ' ' ILE . 15.5 mttt -153.92 115.85 4.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 10.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.472 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 127.23 -39.52 1.93 Allowed Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.543 1.152 . . . . 10.0 111.03 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.569 HD22 ' CE1' ' A' ' 43' ' ' HIS . 1.0 OUTLIER -52.63 -169.22 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 0.742 . . . . 10.0 109.301 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 70.2 p -128.15 150.61 49.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 10.0 110.435 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.477 ' O ' ' CG ' ' A' ' 40' ' ' GLU . 7.4 pt-20 -57.07 117.59 4.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 10.0 110.31 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 145.9 158.36 7.69 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.452 1.095 . . . . 10.0 111.002 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.472 ' CD2' ' OG1' ' A' ' 88' ' ' THR . 6.6 mt -51.33 161.34 0.46 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 0.793 . . . . 10.0 109.331 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.569 ' CE1' HD22 ' A' ' 38' ' ' LEU . 80.2 m-70 -142.6 175.28 9.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.137 . . . . 10.0 109.605 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.447 ' C ' ' CD1' ' A' ' 45' ' ' PHE . . . -70.34 -131.83 0.08 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.501 1.126 . . . . 10.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.566 ' N ' ' CD1' ' A' ' 45' ' ' PHE . 1.1 m-85 -139.55 174.37 10.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 0.788 . . . . 10.0 111.008 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.448 ' CE1' HG13 ' A' ' 87' ' ' VAL . 0.0 OUTLIER -107.92 174.31 5.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 10.0 109.589 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 15.0 t 71.61 126.79 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 10.0 109.309 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.547 ' CG ' ' O ' ' A' ' 48' ' ' HIS . 14.2 p-80 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 10.0 109.599 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.01 -0.836 . . . . 10.0 111.01 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 10.7 t70 49.88 96.07 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 0.757 . . . . 10.0 109.311 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -159.53 -81.61 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 10.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 161.54 168.75 23.88 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.507 1.129 . . . . 10.0 110.997 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.561 ' OD1' ' CE2' ' A' ' 45' ' ' PHE . 0.7 OUTLIER -86.88 148.34 25.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.398 0.705 . . . . 10.0 109.286 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.472 ' CG2' ' HB2' ' A' ' 43' ' ' HIS . 4.0 m -109.21 177.3 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 10.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.472 ' OG1' ' CD2' ' A' ' 42' ' ' LEU . 85.7 m -149.9 157.25 42.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 10.0 110.42 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.433 ' CB ' ' HA ' ' A' ' 40' ' ' GLU . . . -99.44 161.03 13.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 10.0 109.267 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.451 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 13.0 t0 -73.74 -97.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 10.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.451 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 8.7 ptmt -138.82 12.63 2.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 10.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -151.08 21.95 0.76 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 10.0 109.257 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.473 ' O ' ' N ' ' A' ' 95' ' ' ALA . . . 91.06 -32.11 5.32 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.506 1.129 . . . . 10.0 110.978 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.437 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 57.9 t -44.54 95.09 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.541 0.789 . . . . 10.0 109.344 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.473 ' N ' ' O ' ' A' ' 93' ' ' GLY . . . -98.61 117.89 34.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 10.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -108.61 146.08 33.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 10.0 109.335 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 33.3 t -115.17 165.32 10.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 10.0 109.283 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.4 p 179.66 75.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 10.0 109.996 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.403 HG21 ' N ' ' A' ' 100' ' ' GLU . 8.7 mt -129.21 168.31 22.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 10.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.403 ' N ' HG21 ' A' ' 99' ' ' ILE . 10.7 mp0 -133.06 102.71 5.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 10.0 110.308 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -99.97 111.72 24.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 10.0 109.292 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.475 ' CA ' ' HB3' ' A' ' 28' ' ' PRO . 11.0 p -97.83 61.7 1.58 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 10.0 109.995 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 53.1 t -138.2 -47.41 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 10.0 109.223 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -82.97 -170.96 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 10.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.7 p 179.9 151.25 0.4 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 10.0 109.977 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.528 ' CD2' ' N ' ' A' ' 106' ' ' LEU . 0.1 OUTLIER -99.9 36.77 1.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 10.0 109.318 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -120.28 176.55 5.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 10.0 110.046 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.58 88.03 0.05 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.466 1.104 . . . . 10.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 165.95 -73.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 0.768 . . . . 10.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 29.4 m80 -108.1 20.35 18.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 10.0 109.568 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 26.2 p -39.02 101.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 10.0 109.983 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.417 HD12 ' N ' ' A' ' 113' ' ' ILE . 0.1 OUTLIER -85.32 -8.12 11.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 10.0 109.291 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.417 ' N ' HD12 ' A' ' 112' ' ' ILE . 40.1 mm -39.81 105.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 10.0 109.337 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 118.13 30.0 1.85 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.509 1.13 . . . . 10.0 110.997 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 2.9 mmt-85 -85.07 119.38 25.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 0.746 . . . . 10.0 110.324 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.9 m -80.18 95.02 6.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 10.0 110.343 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.436 ' O ' ' CD1' ' A' ' 8' ' ' LEU . 2.9 mm? -75.28 94.79 3.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 10.0 109.263 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.508 ' CG2' ' O ' ' A' ' 145' ' ' ALA . 12.3 p -113.07 171.14 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 10.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.477 ' CG2' HD11 ' A' ' 144' ' ' LEU . 18.4 m -130.0 -167.62 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 10.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -134.76 154.52 51.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 10.0 109.58 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.418 ' N ' HD23 ' A' ' 144' ' ' LEU . 21.8 tt0 -57.51 -39.64 76.95 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.526 1.141 . . . . 10.0 110.269 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.34 -168.62 2.0 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 10.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -99.31 157.71 16.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 10.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.55 -10.61 58.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 10.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.0 t70 64.81 24.68 12.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.11 . . . . 10.0 109.301 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 13.4 mt 65.21 11.84 7.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.455 1.097 . . . . 10.0 109.334 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 105.7 124.27 5.32 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.493 1.121 . . . . 10.0 111.05 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.478 ' CE ' ' HB3' ' A' ' 139' ' ' ASN . 0.1 OUTLIER -97.87 -38.31 9.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 0.773 . . . . 10.0 109.256 -179.916 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 100.2 11.43 42.37 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.474 1.109 . . . . 10.0 110.928 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -59.18 -150.19 0.01 OUTLIER Glycine 0 CA--C 1.531 1.049 0 N-CA-C 110.977 -0.849 . . . . 10.0 110.977 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -145.04 139.8 27.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 0.798 . . . . 10.0 109.33 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 50.29 22.13 0.93 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 10.0 110.345 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -140.71 -75.14 0.33 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 10.0 110.357 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.55 -13.36 59.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 10.0 109.971 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 30.6 p -81.14 -19.93 42.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 10.0 110.385 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.06 -33.08 6.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 10.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 76.9 p -134.0 -97.58 0.27 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 10.0 110.373 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . 0.432 ' C ' ' N ' ' A' ' 140' ' ' ALA . . . -178.72 35.3 0.08 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.496 1.123 . . . . 10.0 111.022 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' ASN . . . . . 0.478 ' HB3' ' CE ' ' A' ' 128' ' ' LYS . 7.3 t-20 43.54 27.54 0.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 0.762 . . . . 10.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . 0.432 ' N ' ' C ' ' A' ' 138' ' ' GLY . . . -83.84 -62.53 1.55 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 10.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 176.32 -96.96 0.11 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.487 1.117 . . . . 10.0 110.971 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 6.6 t -173.4 172.98 3.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 0.775 . . . . 10.0 110.007 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -64.58 159.73 21.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 10.0 110.327 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . 0.477 HD11 ' CG2' ' A' ' 119' ' ' VAL . 0.7 OUTLIER -170.97 46.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 10.0 109.299 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . 0.508 ' O ' ' CG2' ' A' ' 118' ' ' VAL . . . 177.55 155.04 0.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 10.0 109.339 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' CYS . . . . . 0.464 ' O ' ' SG ' ' A' ' 146' ' ' CYS . 5.4 t -157.61 61.75 0.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 10.0 108.303 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -49.59 -50.68 30.1 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.523 1.139 . . . . 10.0 110.986 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 3.5 t 64.46 129.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.436 0.727 . . . . 10.0 109.314 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 149' ' ' ILE . . . . . 0.467 ' CG2' ' HB2' ' A' ' 4' ' ' ALA . 19.4 mm -66.98 140.1 19.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 10.0 109.31 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 151' ' ' ILE . . . -141.14 102.55 0.31 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.48 1.113 . . . . 10.0 110.997 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . 0.485 HD12 ' CG2' ' A' ' 2' ' ' THR . 17.4 mm -38.82 123.84 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 0.774 . . . . 10.0 109.23 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . 0.44 ' CB ' ' O ' ' A' ' 3' ' ' LYS . . . -84.89 175.37 9.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 10.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 10.0 110.27 -179.956 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.2 m . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.424 -0.213 . . . . 10.0 110.424 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.514 ' O ' ' CB ' ' A' ' 152' ' ' ALA . 0.1 OUTLIER -86.2 105.03 16.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 10.0 109.3 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . 0.458 ' HB3' ' CG2' ' A' ' 149' ' ' ILE . . . -89.04 158.27 18.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 10.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.455 HG23 ' CB ' ' A' ' 152' ' ' ALA . 1.8 t -128.7 151.54 35.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 10.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 18' ' ' ILE . . . -149.29 90.17 1.71 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 10.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 33.8 m -83.89 108.02 15.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 10.0 109.304 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.479 ' HB2' ' CA ' ' A' ' 16' ' ' GLY . 4.3 mm? -53.87 140.85 29.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 10.0 109.359 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 39.3 pttt -177.12 130.38 0.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 10.0 109.326 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 171.18 -85.2 0.08 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.462 1.101 . . . . 10.0 111.01 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -41.2 -40.93 1.7 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 0.778 . . . . 10.0 109.334 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.402 ' N ' ' CD ' ' A' ' 13' ' ' PRO . . . 126.29 -56.89 0.71 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.508 1.13 . . . . 10.0 111.008 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.402 ' CD ' ' N ' ' A' ' 12' ' ' GLY . 18.3 Cg_endo -74.98 -27.31 10.17 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.441 1.758 . . . . 10.0 110.989 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.471 ' CG1' ' HB1' ' A' ' 145' ' ' ALA . 24.1 t -81.73 109.17 15.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.128 . . . . 10.0 109.349 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -128.65 37.48 4.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.421 1.076 . . . . 10.0 110.315 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.479 ' CA ' ' HB2' ' A' ' 8' ' ' LEU . . . -53.27 167.15 1.36 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.448 1.092 . . . . 10.0 111.004 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 8.9 mt -145.11 109.72 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.465 0.744 . . . . 10.0 109.326 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.472 HD11 ' CD1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -130.59 142.27 44.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 10.0 109.273 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -122.71 164.57 18.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 10.0 109.302 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.645 ' CD1' ' CD1' ' A' ' 149' ' ' ILE . 1.7 m-85 -130.3 104.97 7.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 10.0 110.982 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 30' ' ' LYS . 15.9 tt0 -115.67 133.92 55.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 10.0 110.284 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -128.51 59.5 1.53 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 10.0 110.273 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.76 66.31 0.35 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 10.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.518 ' O ' ' CB ' ' A' ' 25' ' ' SER . 0.7 OUTLIER -144.75 -57.0 0.35 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.558 1.161 . . . . 10.0 110.32 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.518 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 2.6 t 86.23 -14.45 0.52 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 10.0 110.013 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 12.1 m-20 -154.09 24.1 0.49 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 10.0 109.292 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -134.0 -171.13 12.5 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.509 1.131 . . . . 10.0 110.989 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 157.95 42.55 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.547 1.814 . . . . 10.0 110.987 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 47.7 t -87.54 126.85 41.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.102 . . . . 10.0 109.282 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 21' ' ' GLU . 35.0 mttt -78.11 94.77 4.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 10.0 109.306 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.528 HG13 ' CZ ' ' A' ' 20' ' ' PHE . 7.9 t -95.84 127.32 48.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.525 1.14 . . . . 10.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -157.31 156.48 32.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 10.0 108.001 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 177.73 -167.69 38.76 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.557 1.161 . . . . 10.0 110.994 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 64.0 p -156.78 121.15 4.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 0.753 . . . . 10.0 109.969 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.495 ' O ' ' CG ' ' A' ' 36' ' ' LYS . 0.2 OUTLIER -84.4 165.37 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 10.0 109.299 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.495 ' CG ' ' O ' ' A' ' 35' ' ' ILE . 18.8 mttt -156.27 114.92 3.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 10.0 109.318 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.44 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 135.91 -48.53 0.92 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.49 1.119 . . . . 10.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.578 ' CD2' ' CG ' ' A' ' 43' ' ' HIS . 1.1 mp -53.87 -169.21 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.542 0.789 . . . . 10.0 109.295 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.453 ' O ' ' NE2' ' A' ' 43' ' ' HIS . 53.4 p -137.52 145.74 43.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 10.0 110.416 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.446 ' HA ' ' CB ' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -35.83 125.43 0.71 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 10.0 110.292 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 135.04 179.87 16.96 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.551 1.157 . . . . 10.0 110.993 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.9 mp -80.62 155.82 26.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 0.748 . . . . 10.0 109.352 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.578 ' CG ' ' CD2' ' A' ' 38' ' ' LEU . 90.4 m-70 -150.27 75.8 1.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.098 . . . . 10.0 109.564 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.52 ' HA3' ' CG ' ' A' ' 120' ' ' HIS . . . 35.06 -143.31 0.08 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.51 1.131 . . . . 10.0 111.018 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -152.58 159.56 43.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 0.764 . . . . 10.0 111.003 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.491 ' CB ' ' HA ' ' A' ' 117' ' ' LEU . 2.0 p80 -62.58 174.75 0.92 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 10.0 109.648 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.477 ' CG2' ' C ' ' A' ' 46' ' ' HIS . 1.9 t 77.06 71.89 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 10.0 109.274 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.515 ' CE1' ' NE2' ' A' ' 120' ' ' HIS . 41.7 m80 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 10.0 109.589 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 111.033 -0.827 . . . . 10.0 111.033 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.37 103.6 3.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 0.752 . . . . 10.0 109.335 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.97 -77.88 0.07 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 10.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.405 ' O ' ' OD1' ' A' ' 86' ' ' ASN . . . -141.25 -113.85 1.05 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.484 1.115 . . . . 10.0 110.954 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.405 ' OD1' ' O ' ' A' ' 85' ' ' GLY . 4.5 m-20 -146.09 166.64 25.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 0.784 . . . . 10.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 6.2 m -107.63 -176.74 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 10.0 109.304 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.9 m -151.84 142.65 22.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 10.0 110.422 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.457 ' CB ' ' HA2' ' A' ' 93' ' ' GLY . . . -85.3 162.49 19.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 10.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.439 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 12.2 t0 -71.17 -96.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 10.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.439 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -136.16 8.85 3.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 10.0 109.276 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -157.47 26.31 0.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 10.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.457 ' HA2' ' CB ' ' A' ' 89' ' ' ALA . . . 97.89 -43.85 1.89 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.546 1.154 . . . . 10.0 110.986 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.464 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 20.5 t -38.37 102.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.468 0.746 . . . . 10.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -103.79 117.1 33.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 10.0 109.335 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -98.07 150.45 21.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 10.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 80.2 t -120.52 155.67 23.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 10.0 109.319 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.6 t -179.74 78.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 10.0 110.008 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 9.6 mt -136.01 170.59 18.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.418 1.074 . . . . 10.0 109.35 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -127.15 104.89 8.21 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 10.0 110.278 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -84.95 111.0 19.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 10.0 109.275 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 83.6 p -91.46 9.88 30.03 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.532 1.145 . . . . 10.0 110.012 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 25.4 t -104.41 -80.88 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.093 . . . . 10.0 109.32 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 2.8 pp -53.99 164.31 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 10.0 109.302 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.49 172.34 6.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 10.0 110.044 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 3.5 mp -97.8 40.73 1.15 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 10.0 109.282 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 25.2 m -111.22 169.67 8.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 10.0 110.015 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -78.05 52.98 3.73 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.511 1.132 . . . . 10.0 110.983 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -153.12 -51.91 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 0.765 . . . . 10.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . 0.404 ' O ' ' O ' ' A' ' 111' ' ' SER . 25.4 m80 -95.6 -52.43 4.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 10.0 109.574 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.404 ' O ' ' O ' ' A' ' 110' ' ' HIS . 1.0 OUTLIER 54.74 106.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 10.0 110.021 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.403 HD13 ' CD2' ' A' ' 20' ' ' PHE . 0.6 OUTLIER -86.16 -34.64 8.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.163 . . . . 10.0 109.3 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 22.6 mm -41.17 130.9 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 10.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 93.96 -0.2 66.72 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.512 1.133 . . . . 10.0 110.976 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 2.6 mmm180 -92.11 59.26 3.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 0.745 . . . . 10.0 110.353 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.482 ' HB ' ' CG2' ' A' ' 148' ' ' VAL . 5.8 t -46.0 152.13 0.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 10.0 110.379 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.491 ' HA ' ' CB ' ' A' ' 46' ' ' HIS . 0.7 OUTLIER -104.6 61.59 0.71 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 10.0 109.339 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.468 HG12 ' CG2' ' A' ' 116' ' ' THR . 22.0 m -71.32 171.7 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 10.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.474 ' O ' ' N ' ' A' ' 144' ' ' LEU . 5.5 m -141.43 158.51 22.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 10.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . 0.52 ' CG ' ' HA3' ' A' ' 44' ' ' GLY . 7.6 m170 -84.97 169.8 13.67 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.465 1.103 . . . . 10.0 109.606 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.65 -22.6 37.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 10.0 110.299 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.445 ' HB3' ' CB ' ' A' ' 140' ' ' ALA . 3.3 tmtt? -155.48 163.47 39.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 10.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -49.96 169.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 10.0 109.283 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.485 ' CB ' ' HA3' ' A' ' 138' ' ' GLY . 4.7 p-10 169.7 82.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 10.0 109.239 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 126' ' ' LEU . 0.2 OUTLIER 179.1 -41.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 10.0 109.321 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.424 ' C ' ' O ' ' A' ' 125' ' ' ASP . 0.3 OUTLIER -38.76 -54.75 1.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 10.0 109.302 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 117.76 74.1 0.48 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.516 1.135 . . . . 10.0 111.042 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 1.4 pttm -55.17 -23.57 22.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 0.779 . . . . 10.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 161.26 -28.67 0.3 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.51 1.131 . . . . 10.0 110.992 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 102.03 111.6 3.5 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.976 -0.85 . . . . 10.0 110.976 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . 0.545 ' O ' ' N ' ' A' ' 135' ' ' THR . 0.7 OUTLIER -145.88 151.26 37.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 0.754 . . . . 10.0 109.357 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -38.64 -29.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 10.0 110.347 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 131' ' ' ASN . 0.0 OUTLIER -90.01 -52.0 5.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 10.0 110.308 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' SER . . . . . 0.415 ' O ' ' N ' ' A' ' 137' ' ' THR . 2.3 t -64.13 -51.15 65.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 10.0 109.963 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' THR . . . . . 0.545 ' N ' ' O ' ' A' ' 131' ' ' ASN . 0.6 OUTLIER -45.16 -24.86 0.29 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 10.0 110.443 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.403 ' N ' ' C ' ' A' ' 134' ' ' SER . 0.6 OUTLIER -103.16 -30.26 10.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 10.0 109.306 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' THR . . . . . 0.415 ' N ' ' O ' ' A' ' 134' ' ' SER . 75.9 p -137.41 -100.47 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 10.0 110.34 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . 0.485 ' HA3' ' CB ' ' A' ' 124' ' ' ASP . . . 173.17 39.64 0.04 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.511 1.132 . . . . 10.0 111.011 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 34.0 t-20 57.88 18.55 5.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 0.793 . . . . 10.0 109.274 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . 0.445 ' CB ' ' HB3' ' A' ' 122' ' ' LYS . . . -155.14 68.83 0.7 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.429 1.08 . . . . 10.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -108.79 94.14 0.83 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.481 1.113 . . . . 10.0 111.023 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -151.5 78.39 1.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 0.785 . . . . 10.0 110.015 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.99 157.76 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 10.0 110.33 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . 0.474 ' N ' ' O ' ' A' ' 119' ' ' VAL . 17.4 mt -144.75 154.0 42.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 10.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . 0.471 ' HB1' ' CG1' ' A' ' 14' ' ' VAL . . . 54.88 168.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 10.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 32.0 p -155.48 71.21 0.76 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.49 1.119 . . . . 10.0 108.254 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . 0.415 ' O ' ' HB ' ' A' ' 148' ' ' VAL . . . -51.59 -54.41 24.7 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.471 1.107 . . . . 10.0 110.986 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . 0.482 ' CG2' ' HB ' ' A' ' 116' ' ' THR . 45.0 t 66.08 129.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.574 0.808 . . . . 10.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 149' ' ' ILE . . . . . 0.645 ' CD1' ' CD1' ' A' ' 20' ' ' PHE . 8.4 mm -78.73 120.44 29.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.119 . . . . 10.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -123.92 126.1 6.06 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.496 1.123 . . . . 10.0 110.995 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 19.2 mm -47.62 141.11 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.531 0.783 . . . . 10.0 109.268 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . 0.514 ' CB ' ' O ' ' A' ' 3' ' ' LYS . . . -138.31 170.81 15.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.159 . . . . 10.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 10.0 110.33 -179.997 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.5 m . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.371 -0.233 . . . . 10.0 110.371 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.9 ttmt -103.8 110.78 23.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 10.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . 0.487 ' CB ' ' CG2' ' A' ' 149' ' ' ILE . . . -114.78 170.3 8.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 10.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -149.86 164.18 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 10.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -150.89 106.29 3.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 10.0 109.315 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 73.2 t -84.36 91.04 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.122 . . . . 10.0 109.271 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.424 ' HB2' ' N ' ' A' ' 16' ' ' GLY . 0.2 OUTLIER -42.11 138.37 1.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 10.0 109.242 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.8 tttt -178.17 127.41 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.113 . . . . 10.0 109.296 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 175.07 -92.56 0.09 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.473 1.108 . . . . 10.0 111.013 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -41.29 -56.73 2.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 0.734 . . . . 10.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.429 ' N ' ' CD ' ' A' ' 13' ' ' PRO . . . 151.69 -54.84 0.46 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.511 1.132 . . . . 10.0 111.034 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.461 ' O ' ' N ' ' A' ' 15' ' ' GLN . 18.3 Cg_endo -75.0 -56.1 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.479 1.779 . . . . 10.0 111.016 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.428 HG21 ' CD1' ' A' ' 144' ' ' LEU . 57.9 t -56.04 87.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 10.0 109.352 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' A' ' 13' ' ' PRO . 0.0 OUTLIER -132.09 52.51 2.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 10.0 110.325 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.424 ' N ' ' HB2' ' A' ' 8' ' ' LEU . . . -82.92 -168.45 42.9 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.52 1.137 . . . . 10.0 111.03 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.419 HG13 ' C ' ' A' ' 16' ' ' GLY . 71.4 mt -141.86 117.57 6.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 0.772 . . . . 10.0 109.255 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.468 ' CD1' ' N ' ' A' ' 19' ' ' ASN . 0.1 OUTLIER -113.0 129.56 68.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 10.0 109.31 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.468 ' N ' ' CD1' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -111.99 141.85 45.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 10.0 109.272 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.615 ' CE1' ' CG1' ' A' ' 31' ' ' VAL . 1.9 m-85 -118.45 109.69 16.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.084 . . . . 10.0 110.985 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.48 ' HB2' ' CH2' ' A' ' 32' ' ' TRP . 1.7 tt0 -113.29 143.1 45.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 10.0 110.283 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.413 ' OE1' ' CD1' ' A' ' 106' ' ' LEU . 7.2 tt0 -155.65 77.78 0.98 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 10.0 110.311 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.0 mtpt -72.82 59.28 0.48 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 10.0 109.303 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.484 ' O ' ' CB ' ' A' ' 25' ' ' SER . 0.0 OUTLIER -155.62 -50.1 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 10.0 110.297 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.484 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 0.6 OUTLIER 84.35 -9.73 0.91 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.157 . . . . 10.0 110.037 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -161.09 28.05 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 10.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -131.94 -146.28 5.69 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.527 1.142 . . . . 10.0 110.993 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 136.01 19.81 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.519 1.799 . . . . 10.0 110.993 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 94.3 t -102.33 113.62 39.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 10.0 109.247 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 21' ' ' GLU . 15.2 mttt -79.52 95.11 5.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 10.0 109.258 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.615 ' CG1' ' CE1' ' A' ' 20' ' ' PHE . 0.9 OUTLIER -101.39 132.58 46.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.565 1.166 . . . . 10.0 109.313 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.48 ' CH2' ' HB2' ' A' ' 21' ' ' GLU . 23.8 p90 -156.53 148.0 22.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 10.0 107.957 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -166.61 -168.92 29.52 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.523 1.139 . . . . 10.0 110.978 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 65.7 p -155.89 120.19 4.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 0.739 . . . . 10.0 109.974 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.466 ' CG2' ' HB2' ' A' ' 38' ' ' LEU . 1.3 mp -87.78 159.86 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.143 . . . . 10.0 109.278 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.429 ' N ' HG21 ' A' ' 35' ' ' ILE . 14.9 mttt -143.07 109.51 5.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 10.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.44 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 130.47 -26.12 4.16 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.484 1.115 . . . . 10.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.466 ' HB2' ' CG2' ' A' ' 35' ' ' ILE . 3.1 mt -55.21 -164.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 0.765 . . . . 10.0 109.279 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 41' ' ' GLY . 2.3 p -149.32 142.99 25.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 10.0 110.373 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -43.44 95.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 10.0 110.31 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 39' ' ' THR . . . 165.48 177.93 38.18 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.44 1.088 . . . . 10.0 110.985 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.467 ' C ' ' CG ' ' A' ' 43' ' ' HIS . 2.1 mp -89.27 146.77 24.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 0.784 . . . . 10.0 109.345 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.467 ' CG ' ' C ' ' A' ' 42' ' ' LEU . 2.7 m-70 -155.37 130.94 9.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 10.0 109.619 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.425 ' N ' ' HB2' ' A' ' 120' ' ' HIS . . . -42.36 154.96 0.13 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.474 1.109 . . . . 10.0 111.036 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.604 ' HB3' ' CD2' ' A' ' 46' ' ' HIS . 0.0 OUTLIER -164.36 144.23 7.72 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 0.769 . . . . 10.0 111.03 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.604 ' CD2' ' HB3' ' A' ' 45' ' ' PHE . 0.2 OUTLIER 56.94 159.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 10.0 109.637 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.557 ' O ' ' CG ' ' A' ' 48' ' ' HIS . 0.0 OUTLIER 49.91 176.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.54 1.15 . . . . 10.0 109.292 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.557 ' CG ' ' O ' ' A' ' 47' ' ' VAL . 4.6 m170 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 10.0 109.558 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 N-CA-C 111.029 -0.828 . . . . 10.0 111.029 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -62.81 140.68 58.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 0.768 . . . . 10.0 109.252 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.405 ' HG ' ' N ' ' A' ' 85' ' ' GLY . 38.2 tp -177.98 -92.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 10.0 109.331 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.405 ' N ' ' HG ' ' A' ' 84' ' ' LEU . . . 176.51 -154.95 17.71 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.518 1.137 . . . . 10.0 111.0 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -143.18 171.78 13.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 0.772 . . . . 10.0 109.294 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.432 HG21 ' N ' ' A' ' 88' ' ' THR . 3.0 m -118.2 -166.22 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 10.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.432 ' N ' HG21 ' A' ' 87' ' ' VAL . 42.1 m -155.23 145.01 21.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 10.0 110.416 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.433 ' HB3' ' CA ' ' A' ' 93' ' ' GLY . . . -85.08 164.94 17.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.56 1.162 . . . . 10.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.437 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 16.0 t0 -74.57 -98.64 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.456 1.098 . . . . 10.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.437 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 0.5 OUTLIER -137.49 10.04 2.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 10.0 109.296 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -148.6 19.91 1.04 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 10.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.433 ' CA ' ' HB3' ' A' ' 89' ' ' ALA . . . 95.29 -35.52 4.24 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.512 1.133 . . . . 10.0 111.04 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.437 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 25.6 t -41.39 103.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.52 0.776 . . . . 10.0 109.331 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -103.45 113.45 26.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 10.0 109.305 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -110.02 148.42 31.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 10.0 109.332 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.467 HG11 ' CD1' ' A' ' 99' ' ' ILE . 36.3 t -117.29 161.26 16.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.09 . . . . 10.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.24 75.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 10.0 109.973 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.467 ' CD1' HG11 ' A' ' 97' ' ' VAL . 3.6 mp -130.38 164.3 33.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 10.0 109.34 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -122.48 94.58 4.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 10.0 110.306 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -85.84 122.74 30.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 10.0 109.259 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 71.2 p -103.33 -41.02 6.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.102 . . . . 10.0 110.003 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 65.0 t -42.97 -75.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 10.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.486 ' C ' ' CD1' ' A' ' 104' ' ' ILE . 1.8 pp -52.21 -179.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.107 . . . . 10.0 109.327 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -171.04 157.67 5.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 10.0 110.018 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.467 ' HG ' ' CG1' ' A' ' 112' ' ' ILE . 1.8 mp -99.07 46.07 0.99 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 10.0 109.36 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 109' ' ' ASP . 0.6 OUTLIER -143.19 179.08 7.28 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 10.0 109.935 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.03 80.6 0.02 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.44 1.088 . . . . 10.0 111.044 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 107' ' ' SER . 2.9 m-20 -179.07 -67.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 0.745 . . . . 10.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 11.8 m80 -127.29 37.2 4.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 10.0 109.619 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 87.3 p -39.22 106.51 0.05 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 10.0 110.022 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.476 ' CG2' ' HB ' ' A' ' 104' ' ' ILE . 6.3 pt -84.95 -35.38 9.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 10.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 3.0 mm -41.73 112.32 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 10.0 109.303 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 122.43 4.84 8.86 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.494 1.121 . . . . 10.0 111.005 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.512 ' O ' ' CD2' ' A' ' 117' ' ' LEU . 4.2 mmm-85 -86.24 72.28 10.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 0.787 . . . . 10.0 110.295 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.462 ' CG2' HG13 ' A' ' 118' ' ' VAL . 14.5 t -38.06 148.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 10.0 110.392 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.519 ' CD1' ' CE1' ' A' ' 46' ' ' HIS . 0.1 OUTLIER -103.52 75.8 1.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 10.0 109.295 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.515 ' CG1' ' O ' ' A' ' 145' ' ' ALA . 33.8 m -93.88 125.75 46.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 10.0 109.303 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.585 HG23 ' CZ ' ' A' ' 45' ' ' PHE . 4.3 t -89.6 168.36 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 10.0 109.313 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . 0.425 ' HB2' ' N ' ' A' ' 44' ' ' GLY . 1.0 OUTLIER -113.25 142.92 45.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 10.0 109.556 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.413 ' CB ' ' HA3' ' A' ' 141' ' ' GLY . 1.6 tt0 -50.84 -29.01 10.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 10.0 110.316 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -156.84 -176.62 6.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.138 . . . . 10.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.461 ' CB ' ' O ' ' A' ' 42' ' ' LEU . . . -81.72 173.13 12.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 10.0 109.292 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -117.3 94.47 4.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 10.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -52.23 -22.59 4.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 10.0 109.306 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 9.5 mt 60.5 14.78 5.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 10.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -93.05 -127.45 4.48 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.475 1.109 . . . . 10.0 110.995 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -142.95 43.13 1.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 0.746 . . . . 10.0 109.265 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -80.13 49.89 3.85 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.499 1.124 . . . . 10.0 110.986 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 152.69 -156.13 26.53 Favored Glycine 0 CA--C 1.531 1.04 0 N-CA-C 110.977 -0.849 . . . . 10.0 110.977 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -151.36 126.22 9.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 0.779 . . . . 10.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 69.75 6.74 5.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 10.0 110.265 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -130.27 -67.37 0.74 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.159 . . . . 10.0 110.291 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 58.4 m -73.94 -20.15 60.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 10.0 110.011 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 82.8 p -70.82 -20.52 62.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 10.0 110.419 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 2.2 pttt -106.92 -34.05 7.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 10.0 109.265 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 31.7 p -122.97 -89.31 0.6 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 10.0 110.432 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 156.5 46.27 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.429 1.081 . . . . 10.0 110.983 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 64.24 14.28 8.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 0.768 . . . . 10.0 109.286 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -47.1 -68.99 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 10.0 109.343 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . 0.413 ' HA3' ' CB ' ' A' ' 121' ' ' GLU . . . 148.28 -96.27 0.17 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.507 1.129 . . . . 10.0 111.006 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 1.1 t -163.6 161.83 24.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 0.768 . . . . 10.0 109.998 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.81 123.2 25.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 10.0 110.308 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . 0.503 ' O ' ' CB ' ' A' ' 145' ' ' ALA . 0.4 OUTLIER -123.6 148.39 46.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.45 1.094 . . . . 10.0 109.283 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . 0.515 ' O ' ' CG1' ' A' ' 118' ' ' VAL . . . 83.77 168.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 10.0 109.349 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 26.1 p -155.86 71.34 0.74 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 10.0 108.344 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -83.62 64.61 4.27 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.515 1.134 . . . . 10.0 111.036 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 41.6 t -62.46 121.31 10.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.517 0.775 . . . . 10.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 149' ' ' ILE . . . . . 0.58 HG12 ' CE1' ' A' ' 20' ' ' PHE . 3.8 mp -68.91 114.68 6.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 10.0 109.292 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -122.69 138.55 11.91 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.537 1.148 . . . . 10.0 110.993 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 25.3 mm -46.99 137.29 2.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.522 0.778 . . . . 10.0 109.283 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -96.1 168.79 10.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 10.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 10.0 110.294 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.2 m . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.391 -0.226 . . . . 10.0 110.391 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.7 ttmt -156.05 89.98 1.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 10.0 109.325 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . 0.486 ' CB ' ' HB2' ' A' ' 20' ' ' PHE . . . -84.48 161.76 20.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 10.0 109.274 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.6 t -146.29 158.87 11.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 10.0 109.242 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.438 ' CB ' ' O ' ' A' ' 147' ' ' GLY . . . -155.12 92.67 1.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 10.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.3 m -82.88 107.58 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 10.0 109.311 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.494 ' O ' ' CB ' ' A' ' 9' ' ' LYS . 1.6 mm? -53.11 159.92 1.14 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 10.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.494 ' CB ' ' O ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER 163.93 106.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 10.0 109.274 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -156.38 -89.58 0.07 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.469 1.106 . . . . 10.0 110.976 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.418 ' HB2' ' CD1' ' A' ' 144' ' ' LEU . 31.7 t0 -43.23 -65.5 0.48 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 0.78 . . . . 10.0 109.257 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 170.17 -62.79 0.17 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.484 1.115 . . . . 10.0 111.03 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.456 ' O ' ' N ' ' A' ' 15' ' ' GLN . 18.1 Cg_endo -75.03 -40.64 0.83 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.478 1.778 . . . . 10.0 110.981 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.472 HG22 ' CD2' ' A' ' 38' ' ' LEU . 2.2 t -53.62 90.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 10.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 13' ' ' PRO . 0.0 OUTLIER -119.82 45.29 2.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 10.0 110.278 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.492 ' N ' ' HB2' ' A' ' 8' ' ' LEU . . . -56.6 164.34 5.6 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.515 1.134 . . . . 10.0 111.02 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 55.0 mt -141.37 101.35 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.488 0.758 . . . . 10.0 109.313 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.487 ' CD1' ' N ' ' A' ' 19' ' ' ASN . 0.1 OUTLIER -110.62 130.79 63.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 10.0 109.331 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.487 ' N ' ' CD1' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -122.17 146.77 46.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 10.0 109.329 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.575 ' CE1' HG12 ' A' ' 31' ' ' VAL . 2.8 m-85 -113.62 134.09 54.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 10.0 110.987 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -124.91 128.97 49.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 10.0 110.261 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.455 ' O ' ' CG ' ' A' ' 22' ' ' GLN . 1.3 tt0 -155.13 60.0 0.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 10.0 110.325 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -76.94 65.71 2.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 10.0 109.307 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.512 ' O ' ' CB ' ' A' ' 25' ' ' SER . 0.0 OUTLIER -152.59 -45.28 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 10.0 110.313 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.512 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 1.6 t 85.77 -14.18 0.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 10.0 110.019 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 17.4 p30 -154.79 24.18 0.45 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 10.0 109.32 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -118.74 -159.24 11.03 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.498 1.124 . . . . 10.0 111.006 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.415 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 18.2 Cg_endo -75.02 166.37 29.33 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.481 1.779 . . . . 10.0 111.003 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 13.2 t -123.47 89.51 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 10.0 109.32 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.5 mttt -60.53 93.32 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 10.0 109.253 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.575 HG12 ' CE1' ' A' ' 20' ' ' PHE . 55.2 t -96.6 128.93 47.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 10.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 3.2 p90 -157.18 144.02 18.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 10.0 107.999 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -158.79 -171.63 24.86 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.501 1.126 . . . . 10.0 111.027 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.4 p -156.94 122.29 4.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 0.748 . . . . 10.0 109.979 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.476 ' HA ' ' CA ' ' A' ' 16' ' ' GLY . 1.1 mp -85.11 160.38 3.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 10.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.449 ' HG2' ' O ' ' A' ' 35' ' ' ILE . 22.1 mttt -147.37 92.87 2.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 10.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.44 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 153.4 -36.54 0.75 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.473 1.108 . . . . 10.0 110.991 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.472 ' CD2' HG22 ' A' ' 14' ' ' VAL . 0.4 OUTLIER -53.63 -168.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 0.739 . . . . 10.0 109.31 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 40' ' ' GLU . 4.8 p -144.34 131.51 20.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 10.0 110.403 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.469 ' O ' ' CG ' ' A' ' 40' ' ' GLU . 5.3 pt-20 -37.45 110.12 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 10.0 110.341 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 153.05 161.14 10.11 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.489 1.118 . . . . 10.0 111.007 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.76 164.04 0.62 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 0.763 . . . . 10.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.401 ' N ' ' O ' ' A' ' 87' ' ' VAL . 95.6 m-70 -149.37 155.77 41.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 10.0 109.573 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.482 ' CA ' ' HB2' ' A' ' 120' ' ' HIS . . . -59.31 -152.63 0.01 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.469 1.105 . . . . 10.0 110.962 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.597 ' CE2' ' OD1' ' A' ' 86' ' ' ASN . 4.5 m-85 -107.74 161.14 15.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 0.775 . . . . 10.0 111.0 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.543 ' NE2' ' CG1' ' A' ' 87' ' ' VAL . 0.2 OUTLIER -106.2 176.36 5.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 10.0 109.558 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.493 ' CG2' ' C ' ' A' ' 46' ' ' HIS . 2.6 t 84.35 126.37 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 10.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.513 ' CD2' HG22 ' A' ' 118' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 10.0 109.573 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 110.999 -0.84 . . . . 10.0 110.999 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -50.05 160.9 0.3 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 0.775 . . . . 10.0 109.306 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.407 HD11 ' N ' ' A' ' 85' ' ' GLY . 3.3 tm? -142.85 -82.96 0.18 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.514 1.134 . . . . 10.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.407 ' N ' HD11 ' A' ' 84' ' ' LEU . . . -163.21 171.79 39.03 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.507 1.129 . . . . 10.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.597 ' OD1' ' CE2' ' A' ' 45' ' ' PHE . 48.8 m-20 -92.64 129.83 38.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 0.753 . . . . 10.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.543 ' CG1' ' NE2' ' A' ' 46' ' ' HIS . 14.0 m -98.24 169.41 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 10.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 3.8 m -139.1 148.05 42.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 10.0 110.376 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.419 ' CB ' ' HA2' ' A' ' 93' ' ' GLY . . . -84.63 170.68 13.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 10.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.455 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 13.3 t0 -74.11 -97.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 10.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.455 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 37.3 pttt -136.83 8.12 3.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 10.0 109.322 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -156.06 24.4 0.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 10.0 109.337 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.428 ' HA3' ' O ' ' A' ' 38' ' ' LEU . . . 98.89 -43.88 1.79 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.494 1.121 . . . . 10.0 110.994 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.438 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 32.1 t -39.41 103.24 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.485 0.756 . . . . 10.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -98.55 112.63 24.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 10.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -96.21 148.33 22.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 10.0 109.339 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.415 HG12 ' N ' ' A' ' 98' ' ' SER . 21.6 t -120.1 149.99 22.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 10.0 109.262 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.415 ' N ' HG12 ' A' ' 97' ' ' VAL . 42.2 p -168.34 95.59 0.39 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.457 1.098 . . . . 10.0 109.972 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -139.33 119.49 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 10.0 109.359 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -112.51 81.97 1.57 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 10.0 110.325 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.415 ' O ' ' CB ' ' A' ' 28' ' ' PRO . 1.0 OUTLIER -91.32 152.74 20.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.412 1.07 . . . . 10.0 109.262 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 24.6 p -131.9 65.1 1.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 10.0 110.012 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 80.5 t -150.89 -46.71 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.096 . . . . 10.0 109.327 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -68.28 177.51 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 10.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.7 m -167.41 119.6 0.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 10.0 109.99 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.476 ' HG ' ' CD1' ' A' ' 112' ' ' ILE . 3.2 mp -49.79 -37.27 29.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 10.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.3 m -125.55 140.65 52.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 10.0 109.994 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 132.54 -89.71 0.27 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.499 1.124 . . . . 10.0 110.95 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -138.47 -47.33 0.51 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 0.78 . . . . 10.0 109.275 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 3.2 m80 -85.4 55.84 3.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 10.0 109.608 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 96.2 p -60.5 111.48 1.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 10.0 109.984 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.476 ' CD1' ' HG ' ' A' ' 106' ' ' LEU . 8.6 pt -84.74 -21.88 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 10.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 3.7 mt -58.68 141.39 15.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.54 1.15 . . . . 10.0 109.25 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 112.26 -7.39 26.83 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.511 1.132 . . . . 10.0 111.03 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.433 ' O ' ' CD1' ' A' ' 149' ' ' ILE . 11.5 mmt180 -87.02 164.98 16.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 0.776 . . . . 10.0 110.275 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.489 ' HB ' ' CG2' ' A' ' 148' ' ' VAL . 2.2 t -153.94 126.62 8.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 10.0 110.418 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.423 ' CD1' HG12 ' A' ' 119' ' ' VAL . 0.1 OUTLIER -72.7 74.12 1.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 10.0 109.278 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.513 HG22 ' CD2' ' A' ' 48' ' ' HIS . 19.6 t -84.13 70.84 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 10.0 109.304 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.423 HG12 ' CD1' ' A' ' 117' ' ' LEU . 1.2 m -50.05 133.98 9.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 10.0 109.344 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . 0.527 ' CE1' ' CA ' ' A' ' 141' ' ' GLY . 4.0 m170 -84.48 134.96 34.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 10.0 109.581 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -46.4 -64.75 0.68 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 10.0 110.33 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 3.7 mttt -100.98 -178.27 3.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 10.0 109.339 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -89.76 -178.26 5.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 10.0 109.295 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.433 ' OD2' ' CE1' ' A' ' 45' ' ' PHE . 1.4 m-20 -133.86 95.85 3.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 10.0 109.267 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.26 -21.27 5.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 10.0 109.337 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 7.6 mt 61.36 19.3 10.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 10.0 109.338 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 178.61 91.97 0.08 OUTLIER Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.505 1.128 . . . . 10.0 111.006 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.4 ' HG2' ' N ' ' A' ' 129' ' ' GLY . 0.2 OUTLIER -121.3 -42.79 2.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 0.743 . . . . 10.0 109.301 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . 0.4 ' N ' ' HG2' ' A' ' 128' ' ' LYS . . . -178.68 36.63 0.08 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.448 1.093 . . . . 10.0 111.004 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 41.7 92.21 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.033 -0.827 . . . . 10.0 111.033 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . 0.511 ' O ' ' N ' ' A' ' 135' ' ' THR . 2.4 t30 -141.51 148.43 39.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 0.753 . . . . 10.0 109.275 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 131' ' ' ASN . 0.9 OUTLIER -37.81 -29.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 10.0 110.259 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . 0.478 ' N ' ' O ' ' A' ' 131' ' ' ASN . 0.0 OUTLIER -91.71 -43.47 9.56 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.554 1.159 . . . . 10.0 110.313 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 131' ' ' ASN . 0.0 OUTLIER -70.7 -50.73 33.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 10.0 110.039 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' THR . . . . . 0.511 ' N ' ' O ' ' A' ' 131' ' ' ASN . 41.0 p -35.6 -36.27 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 10.0 110.423 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 134' ' ' SER . 32.3 pttt -101.9 -41.43 6.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 10.0 109.29 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' THR . . . . . 0.424 ' OG1' ' N ' ' A' ' 138' ' ' GLY . 61.9 p -133.68 -106.61 0.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 10.0 110.409 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . 0.438 ' CA ' ' HA ' ' A' ' 134' ' ' SER . . . -144.82 -66.41 0.02 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.513 1.133 . . . . 10.0 110.977 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 10.1 p-10 169.84 42.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 0.792 . . . . 10.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 142' ' ' SER . . . -146.12 -52.47 0.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 10.0 109.29 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . 0.527 ' CA ' ' CE1' ' A' ' 120' ' ' HIS . . . -40.57 94.75 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.512 1.133 . . . . 10.0 110.976 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 140' ' ' ALA . 0.4 OUTLIER -127.68 11.79 6.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 0.729 . . . . 10.0 109.999 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . 0.504 ' HG2' ' CG ' ' A' ' 48' ' ' HIS . 2.1 mpt_? 62.02 138.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 10.0 110.331 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . 0.418 ' CD1' ' HB2' ' A' ' 11' ' ' ASP . 1.8 mm? -127.97 -96.79 0.4 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 10.0 109.345 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . 0.456 ' HB3' ' CG1' ' A' ' 14' ' ' VAL . . . -64.99 175.1 1.65 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.103 . . . . 10.0 109.323 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -154.32 69.74 0.78 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 10.0 108.273 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . 0.438 ' O ' ' CB ' ' A' ' 6' ' ' ALA . . . -79.3 68.3 3.16 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.496 1.123 . . . . 10.0 111.009 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . 0.489 ' CG2' ' HB ' ' A' ' 116' ' ' THR . 2.3 t -59.1 127.11 17.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.491 0.759 . . . . 10.0 109.348 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 149' ' ' ILE . . . . . 0.571 HG23 ' CD1' ' A' ' 20' ' ' PHE . 1.0 OUTLIER -81.22 123.64 37.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 10.0 109.291 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -140.75 139.37 9.61 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.515 1.135 . . . . 10.0 111.02 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 13.8 mm -46.46 145.05 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.543 0.79 . . . . 10.0 109.28 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -136.42 172.14 13.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 10.0 109.294 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 10.0 110.267 -179.968 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.466 HG21 ' CD1' ' A' ' 151' ' ' ILE . 1.4 m . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.405 -0.22 . . . . 10.0 110.405 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -99.92 128.65 45.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 10.0 109.344 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -107.88 162.08 14.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 10.0 109.337 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -140.12 141.91 32.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 10.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -137.07 106.63 6.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 10.0 109.266 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.424 ' O ' ' C ' ' A' ' 8' ' ' LEU . 19.5 m -82.48 90.35 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 10.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.507 HD13 ' CB ' ' A' ' 145' ' ' ALA . 1.5 mm? -37.79 135.43 0.63 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.578 1.174 . . . . 10.0 109.345 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.27 -54.57 6.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 10.0 109.268 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.407 ' HA3' ' O ' ' A' ' 14' ' ' VAL . . . 76.9 120.29 0.18 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.44 1.088 . . . . 10.0 111.029 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -57.8 -20.9 38.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 0.763 . . . . 10.0 109.259 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -176.43 -67.34 0.06 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.49 1.118 . . . . 10.0 111.035 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.436 ' HB2' ' CA ' ' A' ' 37' ' ' GLY . 18.4 Cg_endo -74.97 -60.97 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.487 1.782 . . . . 10.0 111.038 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.421 ' C ' ' O ' ' A' ' 13' ' ' PRO . 21.8 t -38.73 145.11 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.47 1.106 . . . . 10.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 171.85 65.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 10.0 110.328 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.478 ' C ' ' CG1' ' A' ' 17' ' ' ILE . . . -107.46 -153.0 18.27 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.434 1.084 . . . . 10.0 110.986 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.478 ' CG1' ' C ' ' A' ' 16' ' ' GLY . 1.0 OUTLIER -153.25 126.13 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 0.768 . . . . 10.0 109.307 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.527 HD13 ' CE1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -123.26 126.52 73.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.15 . . . . 10.0 109.276 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -111.04 158.11 19.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 10.0 109.337 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.565 ' CD1' HG12 ' A' ' 149' ' ' ILE . 1.7 m-85 -130.88 91.14 3.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 10.0 111.02 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 30' ' ' LYS . 16.6 tt0 -105.81 141.77 36.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 10.0 110.286 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.401 ' O ' ' OE1' ' A' ' 22' ' ' GLN . 0.1 OUTLIER -131.95 59.55 1.7 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 10.0 110.283 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.96 63.54 0.48 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 10.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -144.25 169.77 17.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 10.0 110.307 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.1 m -71.28 56.75 0.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 10.0 109.996 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 65.27 26.05 12.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 10.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -84.05 -138.39 3.75 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.505 1.128 . . . . 10.0 110.992 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 151.34 39.55 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.472 1.775 . . . . 10.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.439 ' CG2' HD12 ' A' ' 104' ' ' ILE . 41.8 t -92.59 133.7 33.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 10.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 21' ' ' GLU . 6.7 mttt -77.85 95.51 4.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 10.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.429 ' CG2' ' CE2' ' A' ' 20' ' ' PHE . 89.7 t -89.53 119.82 37.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 10.0 109.33 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -159.02 148.52 18.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 10.0 108.044 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.438 ' HA3' ' HA ' ' A' ' 18' ' ' ILE . . . -173.95 -159.49 20.48 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.521 1.138 . . . . 10.0 110.969 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.422 ' O ' ' HA3' ' A' ' 16' ' ' GLY . 0.1 OUTLIER -152.93 150.71 29.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 0.786 . . . . 10.0 109.998 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.47 HG23 ' CG1' ' A' ' 119' ' ' VAL . 1.2 mt -143.83 99.83 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 10.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.43 ' HB3' ' CG2' ' A' ' 94' ' ' VAL . 3.5 ptpt -105.13 120.29 41.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 10.0 109.313 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.436 ' CA ' ' HB2' ' A' ' 13' ' ' PRO . . . 164.32 -39.66 0.31 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.47 1.106 . . . . 10.0 110.998 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.447 ' CD1' HG21 ' A' ' 35' ' ' ILE . 3.4 mp -68.76 -130.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 0.773 . . . . 10.0 109.252 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.447 ' CG2' ' O ' ' A' ' 38' ' ' LEU . 3.0 p -157.55 141.19 15.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 10.0 110.405 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.438 ' HA ' ' CB ' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -40.24 110.17 0.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 10.0 110.304 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 168.95 -176.06 43.22 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.522 1.139 . . . . 10.0 110.992 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.5 mp -77.7 152.17 33.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.551 0.795 . . . . 10.0 109.288 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.415 ' HB2' ' CG2' ' A' ' 87' ' ' VAL . 23.1 m-70 -148.47 146.9 28.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 10.0 109.599 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -60.39 -161.91 0.11 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.485 1.115 . . . . 10.0 111.045 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -105.73 167.68 9.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 0.768 . . . . 10.0 111.039 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.502 ' CE1' HD13 ' A' ' 117' ' ' LEU . 7.2 p80 -99.27 77.89 2.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 10.0 109.588 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 4.7 t -149.81 134.11 9.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 10.0 109.285 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.454 ' CD2' HG22 ' A' ' 116' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 10.0 109.592 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.983 -0.847 . . . . 10.0 110.983 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -151.67 -167.64 2.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 0.756 . . . . 10.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -171.01 -59.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 10.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.42 ' C ' ' OD1' ' A' ' 86' ' ' ASN . . . -122.05 -162.58 11.64 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.528 1.142 . . . . 10.0 110.983 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.42 ' OD1' ' C ' ' A' ' 85' ' ' GLY . 2.5 m-20 -140.02 132.5 28.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 0.759 . . . . 10.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.415 ' CG2' ' HB2' ' A' ' 43' ' ' HIS . 14.4 m -108.16 135.55 46.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 10.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 98.8 m -107.8 144.59 34.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 10.0 110.344 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.438 ' CB ' ' HA ' ' A' ' 40' ' ' GLU . . . -84.99 168.19 15.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 10.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.441 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 9.0 t0 -83.13 -95.48 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 10.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.441 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 15.2 pttt -138.15 12.42 2.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 10.0 109.319 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -153.54 24.33 0.52 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.455 1.097 . . . . 10.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.455 ' O ' ' N ' ' A' ' 95' ' ' ALA . . . 87.26 -17.17 44.48 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.45 1.094 . . . . 10.0 110.973 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.43 ' CG2' ' HB3' ' A' ' 36' ' ' LYS . 21.3 t -53.63 90.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 0.768 . . . . 10.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 93' ' ' GLY . . . -95.25 119.6 34.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.163 . . . . 10.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.419 ' HA ' ' HA ' ' A' ' 34' ' ' SER . 1.5 p30 -113.2 151.13 31.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 10.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.45 ' CG1' HD11 ' A' ' 99' ' ' ILE . 21.5 t -118.96 170.95 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 10.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.401 ' C ' HG13 ' A' ' 99' ' ' ILE . 52.8 p -176.97 83.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.574 1.171 . . . . 10.0 109.974 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.45 HD11 ' CG1' ' A' ' 97' ' ' VAL . 2.9 mt -135.93 167.67 24.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 10.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.43 ' N ' ' CG2' ' A' ' 99' ' ' ILE . 0.3 OUTLIER -123.59 95.8 4.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 10.0 110.316 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.444 ' HB2' ' CG1' ' A' ' 104' ' ' ILE . 8.2 m-20 -85.76 134.03 33.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 10.0 109.263 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 9.3 p -110.01 -21.76 12.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 10.0 110.03 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 50.9 t -72.8 -7.72 10.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 10.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.444 ' CG1' ' HB2' ' A' ' 101' ' ' ASP . 2.3 pp -118.48 166.46 12.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 10.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 8.2 t -160.39 162.82 33.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 10.0 110.008 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.439 HD12 ' CD1' ' A' ' 151' ' ' ILE . 2.2 mm? -71.82 -42.17 67.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 10.0 109.327 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -144.04 159.61 42.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 10.0 109.984 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 130.77 -100.33 0.46 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.486 1.116 . . . . 10.0 110.98 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.91 -43.59 2.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 0.781 . . . . 10.0 109.342 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 22.5 m80 -104.11 66.92 0.84 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 10.0 109.599 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 82.6 p -66.22 137.0 56.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 10.0 110.014 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.4 ' CG2' HD13 ' A' ' 104' ' ' ILE . 2.1 pp -85.15 -17.4 9.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 10.0 109.298 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 9.6 mm -67.58 107.98 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 10.0 109.272 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 123.48 -0.58 9.48 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.453 1.096 . . . . 10.0 110.995 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 9.7 mmm180 -84.92 67.25 10.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 0.781 . . . . 10.0 110.27 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.514 ' CG2' ' O ' ' A' ' 116' ' ' THR . 0.3 OUTLIER -39.35 104.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 10.0 110.405 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.502 HD13 ' CE1' ' A' ' 46' ' ' HIS . 5.1 tt -78.81 116.46 19.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 10.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.427 ' HB ' ' O ' ' A' ' 145' ' ' ALA . 0.9 OUTLIER -135.71 128.31 46.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 10.0 109.302 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.47 ' CG1' HG23 ' A' ' 35' ' ' ILE . 4.9 m -75.53 150.39 6.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 10.0 109.356 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . 0.546 ' CG ' ' OD2' ' A' ' 124' ' ' ASP . 2.5 m-70 -84.56 127.67 34.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 10.0 109.656 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -38.46 -52.84 1.57 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 10.0 110.341 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.462 ' HB3' ' CB ' ' A' ' 140' ' ' ALA . 6.8 tmtt? -139.73 161.8 36.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 10.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -47.4 142.7 3.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 10.0 109.273 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.546 ' OD2' ' CG ' ' A' ' 120' ' ' HIS . 0.6 OUTLIER -153.38 87.31 1.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 10.0 109.301 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 126' ' ' LEU . 0.1 OUTLIER 177.02 -39.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 10.0 109.262 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.413 ' C ' ' O ' ' A' ' 125' ' ' ASP . 0.3 OUTLIER -39.13 -54.4 1.75 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 10.0 109.271 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 110.12 63.13 0.52 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.472 1.108 . . . . 10.0 111.038 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.421 ' HE2' ' ND2' ' A' ' 139' ' ' ASN . 2.8 pttp -54.31 -20.43 7.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 0.752 . . . . 10.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 155.67 -23.3 0.55 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.523 1.14 . . . . 10.0 110.983 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . 0.462 ' HA2' ' CB ' ' A' ' 134' ' ' SER . . . 57.85 96.68 0.01 OUTLIER Glycine 0 CA--C 1.531 1.036 0 N-CA-C 111.008 -0.837 . . . . 10.0 111.008 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . 0.462 ' O ' ' N ' ' A' ' 133' ' ' GLN . 38.6 m-80 -155.44 104.8 2.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 0.792 . . . . 10.0 109.339 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 131' ' ' ASN . 1.6 mp0 37.26 31.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 10.0 110.289 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 131' ' ' ASN . 0.1 OUTLIER -160.9 -61.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 10.0 110.281 -179.939 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' SER . . . . . 0.462 ' CB ' ' HA2' ' A' ' 130' ' ' GLY . 1.6 m -91.3 -21.21 21.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 10.0 110.039 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' THR . . . . . 0.455 ' N ' ' HA2' ' A' ' 130' ' ' GLY . 6.6 t -65.27 -23.99 67.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 10.0 110.382 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 7.9 mttt -107.48 -32.9 7.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 10.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' THR . . . . . 0.428 ' OG1' ' N ' ' A' ' 138' ' ' GLY . 81.3 p -137.34 -100.5 0.19 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 10.0 110.408 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . 0.481 ' HA3' ' CB ' ' A' ' 124' ' ' ASP . . . -174.71 43.89 0.13 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.523 1.139 . . . . 10.0 111.008 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' ASN . . . . . 0.421 ' ND2' ' HE2' ' A' ' 128' ' ' LYS . 54.3 t30 43.03 30.16 0.24 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 0.765 . . . . 10.0 109.309 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . 0.462 ' CB ' ' HB3' ' A' ' 122' ' ' LYS . . . -159.53 42.31 0.22 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 10.0 109.287 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . 0.459 ' HA2' ' CE1' ' A' ' 120' ' ' HIS . . . -107.27 104.24 2.1 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.553 1.158 . . . . 10.0 111.005 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 1.8 t -162.31 94.6 0.9 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 0.774 . . . . 10.0 110.005 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.19 128.81 6.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 10.0 110.25 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.1 mp -120.51 -67.75 0.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 10.0 109.301 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . 0.507 ' CB ' HD13 ' A' ' 8' ' ' LEU . . . -77.42 175.64 9.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 10.0 109.265 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' CYS . . . . . 0.407 ' O ' ' SG ' ' A' ' 146' ' ' CYS . 2.1 t -157.77 72.83 0.67 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 10.0 108.32 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . 0.401 ' HA3' ' CD2' ' A' ' 8' ' ' LEU . . . -89.48 69.74 2.49 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.521 1.138 . . . . 10.0 110.969 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . 0.504 ' CG2' ' OG1' ' A' ' 116' ' ' THR . 2.7 t -57.86 118.36 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.517 0.775 . . . . 10.0 109.262 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 149' ' ' ILE . . . . . 0.565 HG12 ' CD1' ' A' ' 20' ' ' PHE . 2.2 mp -70.88 133.7 31.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 10.0 109.272 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -148.88 130.42 3.38 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.492 1.12 . . . . 10.0 110.972 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . 0.466 ' CD1' HG21 ' A' ' 2' ' ' THR . 22.7 mm -42.95 155.92 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.521 0.777 . . . . 10.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -113.34 175.94 5.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 10.0 109.314 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 10.0 110.298 -179.996 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.418 ' O ' ' HA ' ' A' ' 21' ' ' GLU . 82.4 m . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 110.405 -0.22 . . . . 10.0 110.405 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.9 tmtt? -112.83 94.83 5.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 10.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . 0.438 ' HB2' ' CG2' ' A' ' 149' ' ' ILE . . . -84.4 154.92 22.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 10.0 109.273 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.1 t -131.06 155.68 42.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 10.0 109.321 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.404 ' CB ' ' O ' ' A' ' 147' ' ' GLY . . . -155.47 89.14 1.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 10.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.4 p -84.31 108.79 16.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 10.0 109.293 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.492 ' CD2' ' N ' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -54.89 137.57 45.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 10.0 109.304 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.2 tttt -173.29 116.46 0.27 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 10.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -172.3 -84.43 0.06 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.527 1.142 . . . . 10.0 111.001 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -42.46 -41.98 3.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.438 0.728 . . . . 10.0 109.301 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 132.27 -58.85 0.69 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.468 1.105 . . . . 10.0 111.012 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -32.63 5.21 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.477 1.777 . . . . 10.0 110.973 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.5 t -71.34 99.02 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 10.0 109.277 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -122.26 41.63 3.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 10.0 110.289 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.466 ' CA ' ' HA ' ' A' ' 35' ' ' ILE . . . -56.71 163.41 6.26 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.526 1.141 . . . . 10.0 111.026 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 59.2 mt -139.15 101.09 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.499 0.764 . . . . 10.0 109.261 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.565 HD12 ' CD1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -125.45 136.7 60.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.543 1.152 . . . . 10.0 109.31 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -123.61 169.71 11.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 10.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.578 ' CD1' HG12 ' A' ' 149' ' ' ILE . 4.2 m-85 -138.39 98.5 3.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.418 1.074 . . . . 10.0 110.973 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 30' ' ' LYS . 44.9 tt0 -117.5 135.86 53.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 10.0 110.341 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.426 ' OE1' ' CB ' ' A' ' 105' ' ' SER . 3.6 tt0 -137.22 59.38 1.68 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 10.0 110.278 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -76.47 66.15 2.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 10.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.507 ' O ' ' CB ' ' A' ' 25' ' ' SER . 20.7 mm-40 -127.92 -53.18 1.32 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.142 . . . . 10.0 110.287 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.507 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 0.7 OUTLIER 85.69 -16.93 0.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 10.0 110.03 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 51.5 p30 -154.48 23.64 0.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 10.0 109.279 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -133.52 -175.9 14.15 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.464 1.103 . . . . 10.0 111.013 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.44 ' CG ' ' HB3' ' A' ' 100' ' ' GLU . 18.3 Cg_endo -75.0 170.07 21.23 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.503 1.791 . . . . 10.0 111.003 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 84.1 t -93.84 130.39 42.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 10.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 21' ' ' GLU . 8.2 mttt -75.72 98.0 3.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 10.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.45 HG23 ' CE2' ' A' ' 20' ' ' PHE . 95.1 t -101.8 115.41 43.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 10.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 1.2 p90 -152.08 155.15 37.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 10.0 107.999 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -176.84 -173.92 42.84 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.456 1.097 . . . . 10.0 110.952 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 59.8 p -156.7 120.3 4.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 0.779 . . . . 10.0 110.036 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.504 ' O ' ' CG ' ' A' ' 36' ' ' LYS . 0.2 OUTLIER -83.25 163.83 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 10.0 109.252 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.504 ' CG ' ' O ' ' A' ' 35' ' ' ILE . 8.0 mttt -157.32 106.33 2.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 10.0 109.277 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 144.81 -45.31 0.85 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.525 1.141 . . . . 10.0 110.98 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.526 HD21 ' CG ' ' A' ' 43' ' ' HIS . 0.5 OUTLIER -53.06 -171.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 0.776 . . . . 10.0 109.303 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.524 ' O ' ' CE1' ' A' ' 43' ' ' HIS . 1.9 p -132.01 134.61 45.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 10.0 110.413 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.47 ' HA ' ' CB ' ' A' ' 89' ' ' ALA . 15.2 pt-20 -37.57 123.01 0.97 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 10.0 110.291 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 147.27 -157.91 27.55 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.474 1.109 . . . . 10.0 111.031 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.455 ' O ' ' ND1' ' A' ' 43' ' ' HIS . 9.5 mp -77.19 147.41 36.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 0.786 . . . . 10.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.526 ' CG ' HD21 ' A' ' 38' ' ' LEU . 55.6 m-70 -147.15 114.61 6.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 10.0 109.581 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.443 ' CA ' ' HB2' ' A' ' 120' ' ' HIS . . . -54.52 148.68 20.92 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.471 1.107 . . . . 10.0 111.002 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -118.01 109.33 16.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 0.773 . . . . 10.0 111.026 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.485 ' O ' ' CG2' ' A' ' 47' ' ' VAL . 54.7 m170 -90.35 173.22 8.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 10.0 109.601 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.485 ' CG2' ' O ' ' A' ' 46' ' ' HIS . 32.4 t -159.44 76.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 10.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.52 ' CG ' ' HB ' ' A' ' 116' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.553 1.158 . . . . 10.0 109.57 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 111.039 -0.824 . . . . 10.0 111.039 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.95 142.18 38.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 0.734 . . . . 10.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -133.09 14.97 4.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 10.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 82.54 -99.21 2.06 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.501 1.126 . . . . 10.0 110.974 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.438 ' ND2' ' CD2' ' A' ' 42' ' ' LEU . 21.5 p30 -151.48 152.24 32.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 0.788 . . . . 10.0 109.345 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 9.8 m -99.64 -147.17 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 10.0 109.28 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 42.6 m -155.35 128.86 8.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 10.0 110.397 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.47 ' CB ' ' HA ' ' A' ' 40' ' ' GLU . . . -84.2 175.37 9.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 10.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.449 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 13.2 t0 -80.85 -97.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 10.0 109.342 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.449 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 9.7 pttt -138.05 10.7 2.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 10.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -154.26 23.56 0.48 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 10.0 109.237 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.458 ' HA3' ' C ' ' A' ' 38' ' ' LEU . . . 90.47 -32.04 5.19 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.508 1.13 . . . . 10.0 111.025 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.489 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 21.1 t -41.77 103.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.49 0.759 . . . . 10.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -105.93 117.37 33.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 10.0 109.298 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -103.38 153.35 20.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 10.0 109.286 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 57.4 t -133.39 155.87 41.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 10.0 109.279 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.412 ' C ' ' CG1' ' A' ' 99' ' ' ILE . 92.0 p -172.53 97.02 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 10.0 109.986 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.412 ' CG1' ' C ' ' A' ' 98' ' ' SER . 0.8 OUTLIER -149.03 170.92 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 10.0 109.262 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.44 ' HB3' ' CG ' ' A' ' 28' ' ' PRO . 0.6 OUTLIER -124.01 94.82 4.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 10.0 110.289 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -96.38 117.82 31.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 10.0 109.28 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.45 ' C ' ' N ' ' A' ' 104' ' ' ILE . 80.7 p -98.4 -32.09 11.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 10.0 110.012 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 53.4 t -41.1 -28.95 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 10.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.45 ' N ' ' C ' ' A' ' 102' ' ' SER . 2.6 pp -121.26 170.35 11.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.103 . . . . 10.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' SER . . . . . 0.426 ' CB ' ' OE1' ' A' ' 22' ' ' GLN . 27.9 p -170.8 -179.81 2.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 10.0 109.997 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.571 ' CD2' ' N ' ' A' ' 106' ' ' LEU . 0.2 OUTLIER -108.93 39.69 1.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 10.0 109.34 179.939 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -106.3 159.69 15.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 10.0 109.964 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -66.23 77.39 0.12 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.487 1.117 . . . . 10.0 110.999 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 172.09 -51.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 0.754 . . . . 10.0 109.271 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 11.3 m80 -115.12 11.69 16.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 10.0 109.565 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 43.5 p -40.69 111.92 0.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 10.0 109.968 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.443 ' CG2' ' HB ' ' A' ' 104' ' ' ILE . 1.2 pt -103.6 20.24 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 10.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 17.5 mm -70.6 70.49 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.432 1.083 . . . . 10.0 109.267 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 170.87 39.23 0.03 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.495 1.122 . . . . 10.0 111.016 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.444 ' O ' ' CD1' ' A' ' 149' ' ' ILE . 16.7 mtt180 -100.12 88.6 3.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 0.755 . . . . 10.0 110.296 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.52 ' HB ' ' CG ' ' A' ' 48' ' ' HIS . 14.2 m -68.94 61.21 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 10.0 110.427 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.402 ' N ' ' O ' ' A' ' 115' ' ' ARG . 1.7 tp -45.63 110.02 0.22 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 10.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.466 ' CG1' ' O ' ' A' ' 145' ' ' ALA . 0.0 OUTLIER -116.55 97.52 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 10.0 109.32 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.41 ' O ' ' O ' ' A' ' 143' ' ' ARG . 17.6 t -46.28 171.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.121 . . . . 10.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . 0.445 ' CD2' ' O ' ' A' ' 140' ' ' ALA . 1.0 OUTLIER -99.42 123.45 43.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 10.0 109.586 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -44.7 -34.36 2.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 10.0 110.329 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.41 175.12 11.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 10.0 109.281 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.31 -166.1 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.089 . . . . 10.0 109.277 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -154.47 93.9 1.64 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 10.0 109.286 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.61 -25.24 67.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 10.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 3.5 mt 56.65 18.28 3.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 10.0 109.255 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -178.4 62.07 0.08 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.446 1.091 . . . . 10.0 111.0 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.2 -77.19 0.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 0.774 . . . . 10.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -163.99 29.79 0.24 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.499 1.124 . . . . 10.0 111.024 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -152.04 -173.75 22.0 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.973 -0.851 . . . . 10.0 110.973 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . 0.524 ' O ' ' CB ' ' A' ' 132' ' ' GLU . 35.2 m-20 -153.54 149.7 27.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 0.749 . . . . 10.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . 0.524 ' CB ' ' O ' ' A' ' 131' ' ' ASN . 7.9 tt0 88.14 11.81 0.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 10.0 110.283 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -134.98 -81.7 0.43 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 10.0 110.318 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' SER . . . . . 0.44 ' HA ' ' N ' ' A' ' 138' ' ' GLY . 4.8 m -58.19 -26.04 62.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.165 . . . . 10.0 110.004 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 31.8 p -63.41 -35.02 79.05 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.436 1.085 . . . . 10.0 110.378 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 9.2 pttt -94.19 -32.92 13.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 10.0 109.289 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 32.8 p -125.77 -98.2 0.41 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.155 . . . . 10.0 110.367 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . 0.44 ' N ' ' HA ' ' A' ' 134' ' ' SER . . . 166.14 40.83 0.02 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.514 1.133 . . . . 10.0 110.993 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 48.5 24.74 0.79 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 0.783 . . . . 10.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . 0.445 ' O ' ' CD2' ' A' ' 120' ' ' HIS . . . -145.32 21.92 1.52 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 10.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -75.79 85.52 0.87 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.475 1.11 . . . . 10.0 110.96 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.38 1.06 11.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 0.746 . . . . 10.0 110.007 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . 0.43 ' NH1' ' HB2' ' A' ' 143' ' ' ARG . 0.1 OUTLIER 65.63 -84.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 10.0 110.31 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . 0.404 ' O ' ' O ' ' A' ' 143' ' ' ARG . 16.2 mt 61.63 143.78 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 10.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . 0.466 ' O ' ' CG1' ' A' ' 118' ' ' VAL . . . 56.07 168.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 10.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' CYS . . . . . 0.428 ' O ' ' N ' ' A' ' 148' ' ' VAL . 11.0 p -155.56 68.17 0.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 10.0 108.321 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . 0.404 ' O ' ' CB ' ' A' ' 6' ' ' ALA . . . -67.98 60.52 0.37 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.547 1.155 . . . . 10.0 111.018 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . 0.428 ' N ' ' O ' ' A' ' 146' ' ' CYS . 3.3 t -61.28 131.77 26.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 0.77 . . . . 10.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 149' ' ' ILE . . . . . 0.578 HG12 ' CD1' ' A' ' 20' ' ' PHE . 4.6 mp -86.15 112.84 23.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 10.0 109.292 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -126.78 154.2 19.16 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.531 1.145 . . . . 10.0 110.976 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 18.9 mm -57.72 138.53 18.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.547 0.792 . . . . 10.0 109.328 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -141.13 157.5 45.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.155 . . . . 10.0 109.305 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 1.6 pm0 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 10.0 110.32 179.975 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.465 HG21 ' CD1' ' A' ' 151' ' ' ILE . 41.4 m . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.406 -0.22 . . . . 10.0 110.406 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.4 tmtt? -138.98 110.79 7.17 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.485 1.115 . . . . 10.0 109.288 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . 0.513 ' CB ' ' HB2' ' A' ' 20' ' ' PHE . . . -84.54 159.91 20.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.415 1.072 . . . . 10.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.9 t -143.45 155.35 16.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 10.0 109.326 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.472 ' CB ' HG22 ' A' ' 18' ' ' ILE . . . -146.8 91.76 2.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 10.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.7 p -83.7 92.87 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 10.0 109.302 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.49 ' HB2' ' N ' ' A' ' 16' ' ' GLY . 3.3 mm? -44.04 131.93 5.66 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 10.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.9 tttm -168.01 102.58 0.46 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 10.0 109.314 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 11' ' ' ASP . . . -163.26 -93.28 0.09 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.472 1.107 . . . . 10.0 110.97 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 10' ' ' GLY . 24.9 t70 -38.59 -65.46 0.35 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 0.791 . . . . 10.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 155.02 -59.36 0.38 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.501 1.126 . . . . 10.0 111.022 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.407 ' O ' ' O ' ' A' ' 36' ' ' LYS . 18.0 Cg_endo -75.05 -34.51 3.72 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.478 1.778 . . . . 10.0 110.962 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.448 HG23 ' CD1' ' A' ' 144' ' ' LEU . 31.2 t -71.21 94.75 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 10.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -120.85 47.13 1.87 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 10.0 110.281 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.49 ' N ' ' HB2' ' A' ' 8' ' ' LEU . . . -59.52 166.7 8.87 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.544 1.152 . . . . 10.0 110.987 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 22.0 mt -139.39 99.35 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.499 0.764 . . . . 10.0 109.272 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.521 ' CD1' ' N ' ' A' ' 19' ' ' ASN . 0.1 OUTLIER -108.34 135.2 47.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 10.0 109.341 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.521 ' N ' ' CD1' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -131.23 145.32 51.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 10.0 109.291 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.581 ' CE1' ' CG1' ' A' ' 31' ' ' VAL . 5.5 m-85 -115.62 135.75 53.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 10.0 110.948 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.467 ' HB2' ' CH2' ' A' ' 32' ' ' TRP . 4.3 tp10 -130.49 128.1 40.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 10.0 110.29 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.44 ' HB2' ' CG1' ' A' ' 29' ' ' VAL . 1.6 tt0 -145.27 64.62 1.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.426 1.079 . . . . 10.0 110.295 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 22.3 mtmt -72.78 63.95 0.64 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.562 1.164 . . . . 10.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.51 ' O ' ' CB ' ' A' ' 25' ' ' SER . 0.2 OUTLIER -153.72 -49.41 0.09 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.451 1.094 . . . . 10.0 110.307 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.51 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 0.3 OUTLIER 85.65 -13.44 0.61 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 10.0 109.971 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -156.21 24.65 0.36 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.137 . . . . 10.0 109.345 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -124.17 -159.5 10.46 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.537 1.148 . . . . 10.0 110.997 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 142.52 27.8 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.469 1.773 . . . . 10.0 110.999 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.44 ' CG1' ' HB2' ' A' ' 22' ' ' GLN . 10.9 t -101.48 103.0 14.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.424 1.077 . . . . 10.0 109.271 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.511 ' O ' ' CZ3' ' A' ' 32' ' ' TRP . 59.6 mttt -73.23 100.11 3.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 10.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.581 ' CG1' ' CE1' ' A' ' 20' ' ' PHE . 40.4 t -101.27 143.41 14.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 10.0 109.253 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.511 ' CZ3' ' O ' ' A' ' 30' ' ' LYS . 35.6 p90 -164.11 145.19 8.54 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.996 -1.113 . . . . 10.0 107.996 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.408 ' O ' ' HA ' ' A' ' 96' ' ' ASP . . . -158.58 -174.21 27.98 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.51 1.131 . . . . 10.0 111.015 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 21.5 p -157.14 120.42 4.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 0.753 . . . . 10.0 110.029 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.518 ' O ' ' CG ' ' A' ' 36' ' ' LYS . 0.1 OUTLIER -83.93 165.83 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 10.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.518 ' CG ' ' O ' ' A' ' 35' ' ' ILE . 14.6 mttm -157.1 111.56 2.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 10.0 109.267 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.437 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 142.1 -48.47 0.79 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.496 1.123 . . . . 10.0 111.02 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.528 HD23 ' CG ' ' A' ' 43' ' ' HIS . 0.8 OUTLIER -52.88 -172.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 0.782 . . . . 10.0 109.334 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.561 ' O ' ' CE1' ' A' ' 43' ' ' HIS . 20.0 p -129.64 139.46 51.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 10.0 110.411 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.423 ' HA ' ' CB ' ' A' ' 89' ' ' ALA . 1.5 pt-20 -36.42 130.77 0.68 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 10.0 110.271 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.412 ' O ' ' HA ' ' A' ' 88' ' ' THR . . . 139.33 -161.01 26.05 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.51 1.131 . . . . 10.0 111.019 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.456 ' O ' ' ND1' ' A' ' 43' ' ' HIS . 0.4 OUTLIER -77.32 142.99 39.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 0.776 . . . . 10.0 109.28 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.561 ' CE1' ' O ' ' A' ' 39' ' ' THR . 21.4 m-70 -141.75 123.21 14.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 10.0 109.586 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.468 ' H ' ' CD2' ' A' ' 120' ' ' HIS . . . -59.12 172.05 4.6 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.536 1.147 . . . . 10.0 111.0 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -138.12 68.95 1.39 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.539 0.788 . . . . 10.0 110.978 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.503 ' O ' ' CG2' ' A' ' 47' ' ' VAL . 57.1 m170 -52.78 174.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 10.0 109.63 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.503 ' CG2' ' O ' ' A' ' 46' ' ' HIS . 8.2 t -161.73 74.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 10.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.443 ' CE1' ' H ' ' A' ' 116' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 10.0 109.6 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.463 ' O ' ' N ' ' A' ' 47' ' ' VAL . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.995 -0.842 . . . . 10.0 110.995 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -90.93 158.66 16.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 0.774 . . . . 10.0 109.274 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.4 tt -147.64 50.77 1.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 10.0 109.294 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 65.93 -160.73 44.82 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.507 1.129 . . . . 10.0 111.007 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -126.38 175.33 7.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 0.753 . . . . 10.0 109.291 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.436 ' CG2' ' N ' ' A' ' 88' ' ' THR . 5.1 m -133.37 -147.04 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 10.0 109.266 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.436 ' N ' ' CG2' ' A' ' 87' ' ' VAL . 3.8 m -154.91 135.99 13.87 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.504 1.127 . . . . 10.0 110.392 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.423 ' CB ' ' HA ' ' A' ' 40' ' ' GLU . . . -85.18 175.58 8.88 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 10.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.439 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 12.1 t0 -84.26 -96.08 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 10.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.439 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 8.9 pttt -138.48 12.04 2.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 10.0 109.274 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -157.78 26.08 0.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 10.0 109.286 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.433 ' HA3' ' C ' ' A' ' 38' ' ' LEU . . . 92.07 -34.79 4.25 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.496 1.122 . . . . 10.0 111.008 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.49 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 20.5 t -38.98 100.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.485 0.756 . . . . 10.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -105.65 117.98 35.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 10.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.408 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 2.8 p-10 -106.87 152.93 23.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.108 . . . . 10.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.415 HG13 ' N ' ' A' ' 98' ' ' SER . 97.7 t -127.63 159.28 38.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 10.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.415 ' N ' HG13 ' A' ' 97' ' ' VAL . 59.6 p -165.39 90.69 0.49 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 10.0 109.975 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 6.7 mt -120.34 149.84 23.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 10.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -141.76 88.62 2.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 10.0 110.316 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -128.03 156.84 42.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 10.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 89.0 p -120.11 28.83 7.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 10.0 110.023 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 95.7 t -90.55 -36.84 8.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 10.0 109.302 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -83.25 -171.16 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.16 . . . . 10.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 17.6 t -160.79 170.59 20.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 10.0 110.008 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.476 ' HA ' ' CD1' ' A' ' 112' ' ' ILE . 9.0 mp -92.15 -42.94 9.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 10.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.46 80.09 1.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 10.0 110.001 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -151.15 -99.75 0.2 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.477 1.11 . . . . 10.0 110.97 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -113.92 -34.02 5.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 0.781 . . . . 10.0 109.25 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 11.5 m80 -119.7 65.15 0.81 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.57 1.169 . . . . 10.0 109.614 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 97.7 p -68.81 125.19 25.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 10.0 109.968 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.546 HG13 ' CD2' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -83.98 -3.25 7.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 10.0 109.283 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.41 HG22 ' N ' ' A' ' 114' ' ' GLY . 5.2 mt -72.92 150.67 8.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 10.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . 0.41 ' N ' HG22 ' A' ' 113' ' ' ILE . . . 65.03 24.83 70.51 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.49 1.119 . . . . 10.0 110.981 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 23.2 mtp180 -116.0 59.66 0.73 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 0.78 . . . . 10.0 110.315 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.513 ' OG1' ' N ' ' A' ' 148' ' ' VAL . 1.2 t -56.66 166.51 0.92 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 10.0 110.404 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.583 ' O ' ' CD2' ' A' ' 117' ' ' LEU . 0.0 OUTLIER -130.35 115.04 16.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 10.0 109.307 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.433 ' CG1' ' O ' ' A' ' 145' ' ' ALA . 0.1 OUTLIER -113.08 78.61 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.127 . . . . 10.0 109.29 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.441 HG22 ' CD1' ' A' ' 38' ' ' LEU . 1.5 m -49.43 145.96 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 10.0 109.297 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . 0.604 ' CD2' ' O ' ' A' ' 122' ' ' LYS . 0.8 OUTLIER -83.85 161.86 20.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 10.0 109.645 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.502 ' O ' ' CB ' ' A' ' 122' ' ' LYS . 5.8 tt0 -96.45 54.14 1.35 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 10.0 110.258 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.604 ' O ' ' CD2' ' A' ' 120' ' ' HIS . 0.3 OUTLIER 164.18 157.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 10.0 109.272 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -92.19 129.18 38.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.572 1.17 . . . . 10.0 109.279 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -62.46 -13.82 34.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 10.0 109.31 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 22.4 t0 60.84 26.92 16.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 10.0 109.283 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 7.0 mt 53.57 20.33 2.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 10.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 123.44 86.74 0.77 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.542 1.151 . . . . 10.0 110.951 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.78 -33.5 4.46 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.557 0.798 . . . . 10.0 109.273 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 103.03 -5.49 50.14 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.51 1.131 . . . . 10.0 110.965 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -69.73 -164.23 4.25 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.996 -0.842 . . . . 10.0 110.996 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . 0.471 ' O ' ' CB ' ' A' ' 132' ' ' GLU . 7.9 m120 -148.42 127.67 12.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 0.758 . . . . 10.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . 0.471 ' CB ' ' O ' ' A' ' 131' ' ' ASN . 13.0 tt0 84.01 -11.07 0.88 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 10.0 110.265 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -118.0 -57.87 2.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.417 1.073 . . . . 10.0 110.284 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' SER . . . . . 0.507 ' HA ' ' CA ' ' A' ' 138' ' ' GLY . 0.0 OUTLIER -84.34 -29.57 26.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 10.0 110.007 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.84 -4.27 23.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 10.0 110.398 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 2.4 ttpt -105.59 -59.75 1.72 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 10.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 23.4 p -117.73 -32.98 4.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.088 . . . . 10.0 110.39 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . 0.509 ' O ' ' CB ' ' A' ' 139' ' ' ASN . . . 120.89 8.8 7.86 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.518 1.136 . . . . 10.0 110.976 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' ASN . . . . . 0.509 ' CB ' ' O ' ' A' ' 138' ' ' GLY . 5.1 t-20 83.76 25.18 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 0.775 . . . . 10.0 109.344 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . 0.477 ' HB2' ' CB ' ' A' ' 122' ' ' LYS . . . -161.44 79.12 0.58 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 10.0 109.317 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -147.43 81.54 0.2 Allowed Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.495 1.122 . . . . 10.0 111.024 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.81 5.9 5.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.413 0.714 . . . . 10.0 109.992 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 59.27 -175.99 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 10.0 110.263 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . 0.448 ' CD1' HG23 ' A' ' 14' ' ' VAL . 15.4 mt -155.35 -99.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 10.0 109.364 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . 0.433 ' O ' ' CG1' ' A' ' 118' ' ' VAL . . . -108.84 156.81 19.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 10.0 109.323 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 1.2 p -121.2 72.63 1.0 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 10.0 108.307 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . 0.415 ' O ' ' HB ' ' A' ' 148' ' ' VAL . . . -51.7 -45.16 54.97 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.475 1.11 . . . . 10.0 111.009 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . 0.513 ' N ' ' OG1' ' A' ' 116' ' ' THR . 2.2 t 66.89 114.98 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 0.772 . . . . 10.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 149' ' ' ILE . . . . . 0.577 HG12 ' CE1' ' A' ' 20' ' ' PHE . 4.2 mp -84.01 93.53 3.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.501 1.126 . . . . 10.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -113.96 158.41 14.32 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.483 1.114 . . . . 10.0 110.996 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . 0.465 ' CD1' HG21 ' A' ' 2' ' ' THR . 35.1 mm -66.28 147.47 12.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.433 0.725 . . . . 10.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -143.06 167.48 21.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 10.0 109.298 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 10.0 110.268 -179.961 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.9 p . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.412 -0.218 . . . . 10.0 110.412 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.469 ' CB ' ' HA ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -94.76 131.67 40.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 10.0 109.267 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . 0.466 ' HB2' ' CG2' ' A' ' 149' ' ' ILE . . . -107.43 163.54 12.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 10.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 14.0 t -130.4 159.7 42.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 10.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.415 ' CB ' ' O ' ' A' ' 147' ' ' GLY . . . -155.99 91.67 1.3 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 10.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 56.6 t -82.42 98.45 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 10.0 109.325 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.497 ' CD2' HG21 ' A' ' 18' ' ' ILE . 3.1 mm? -41.09 144.06 0.33 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 10.0 109.294 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.0 tttt 178.2 125.13 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 10.0 109.299 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 170.82 -91.73 0.1 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.57 1.169 . . . . 10.0 110.995 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -40.04 -66.32 0.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 0.77 . . . . 10.0 109.271 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.401 ' N ' ' CD ' ' A' ' 13' ' ' PRO . . . 157.49 -56.55 0.37 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.502 1.126 . . . . 10.0 110.994 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.41 ' O ' ' O ' ' A' ' 36' ' ' LYS . 18.3 Cg_endo -74.99 -52.37 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.518 1.799 . . . . 10.0 111.016 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 71.7 t -62.38 94.7 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 10.0 109.288 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -133.87 50.3 2.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 10.0 110.277 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.497 ' N ' ' HB2' ' A' ' 8' ' ' LEU . . . -75.61 -171.62 30.72 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.474 1.109 . . . . 10.0 110.982 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.423 HG13 ' C ' ' A' ' 16' ' ' GLY . 65.0 mt -142.98 116.97 3.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.531 0.783 . . . . 10.0 109.315 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.511 ' C ' ' CD1' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -122.61 133.34 69.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 10.0 109.291 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -122.65 150.66 42.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 10.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.627 ' CE2' ' CG2' ' A' ' 31' ' ' VAL . 2.9 m-85 -123.93 94.13 4.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 10.0 110.99 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.469 ' HA ' ' CB ' ' A' ' 3' ' ' LYS . 32.9 tt0 -83.75 122.89 29.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 10.0 110.275 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.437 ' CA ' ' OE1' ' A' ' 22' ' ' GLN . 0.3 OUTLIER -150.41 61.62 0.96 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.453 1.095 . . . . 10.0 110.324 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.87 65.18 2.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 10.0 109.3 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.433 ' HB3' ' N ' ' A' ' 27' ' ' GLY . 1.2 mt-10 -155.6 138.82 15.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 10.0 110.325 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 53.5 m -77.02 -7.49 55.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 10.0 110.02 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 12.0 m-20 -155.47 28.94 0.39 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 10.0 109.262 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.433 ' N ' ' HB3' ' A' ' 24' ' ' GLU . . . -108.53 156.01 15.9 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.468 1.105 . . . . 10.0 110.981 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.408 ' HB3' ' CA ' ' A' ' 102' ' ' SER . 18.5 Cg_endo -75.01 168.23 25.29 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.503 1.791 . . . . 10.0 111.025 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 42.8 t -96.08 98.02 7.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 10.0 109.313 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.464 ' HG2' ' CG ' ' A' ' 100' ' ' GLU . 34.0 mttt -60.66 89.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 10.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.627 ' CG2' ' CE2' ' A' ' 20' ' ' PHE . 45.6 t -84.76 117.91 30.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 10.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -149.93 160.93 43.22 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.955 -1.128 . . . . 10.0 107.955 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.59 -171.26 44.36 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.53 1.144 . . . . 10.0 111.011 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 80.4 p -156.68 122.72 4.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 0.766 . . . . 10.0 109.999 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.49 ' O ' ' CG ' ' A' ' 36' ' ' LYS . 0.4 OUTLIER -83.87 165.83 2.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.434 1.084 . . . . 10.0 109.274 -179.943 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.49 ' CG ' ' O ' ' A' ' 35' ' ' ILE . 21.3 mttm -156.06 108.26 2.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 10.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.457 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 144.24 -47.89 0.75 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.504 1.127 . . . . 10.0 110.967 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.572 ' CD2' ' CG ' ' A' ' 43' ' ' HIS . 3.5 mp -51.98 -172.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 0.767 . . . . 10.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.437 ' O ' ' NE2' ' A' ' 43' ' ' HIS . 21.5 p -132.73 137.31 46.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 10.0 110.401 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.432 ' O ' ' CG ' ' A' ' 40' ' ' GLU . 5.6 pt-20 -36.63 122.06 0.77 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.574 1.171 . . . . 10.0 110.301 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.414 ' O ' ' HA ' ' A' ' 88' ' ' THR . . . 146.51 -157.58 27.44 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.451 1.094 . . . . 10.0 111.023 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.574 ' CD1' ' N ' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -92.18 157.43 16.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 0.752 . . . . 10.0 109.314 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.572 ' CG ' ' CD2' ' A' ' 38' ' ' LEU . 87.3 m-70 -154.92 148.87 25.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 10.0 109.62 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -48.12 176.91 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.468 1.105 . . . . 10.0 111.028 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.474 ' CD2' ' HB3' ' A' ' 84' ' ' LEU . 2.2 t80 -104.7 155.02 19.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 0.79 . . . . 10.0 111.03 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.42 ' O ' ' HB ' ' A' ' 47' ' ' VAL . 0.4 OUTLIER -60.94 177.18 0.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.429 1.081 . . . . 10.0 109.612 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.42 ' HB ' ' O ' ' A' ' 46' ' ' HIS . 11.7 t 75.35 111.88 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 10.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.56 ' CD2' ' HG3' ' A' ' 143' ' ' ARG . 44.8 p-80 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 10.0 109.556 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.986 -0.846 . . . . 10.0 110.986 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -99.77 140.79 33.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 0.752 . . . . 10.0 109.283 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.474 ' HB3' ' CD2' ' A' ' 45' ' ' PHE . 4.8 tt -154.32 -73.45 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 10.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -165.55 -176.68 37.24 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.502 1.126 . . . . 10.0 111.028 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 12.6 m-20 -97.45 144.17 27.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 0.764 . . . . 10.0 109.28 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 17.1 m -92.52 -166.51 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 10.0 109.248 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.414 ' HA ' ' O ' ' A' ' 41' ' ' GLY . 87.2 m -153.83 136.44 15.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 10.0 110.39 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -92.12 175.86 6.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 10.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.45 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 11.4 t0 -80.59 -97.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 10.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.45 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 7.7 pttt -137.14 10.87 3.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 10.0 109.342 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -158.0 25.26 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 10.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.452 ' O ' ' C ' ' A' ' 94' ' ' VAL . . . 95.55 -38.88 2.98 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.503 1.127 . . . . 10.0 111.029 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.452 ' C ' ' O ' ' A' ' 93' ' ' GLY . 21.3 t -36.76 99.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.489 0.758 . . . . 10.0 109.335 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 93' ' ' GLY . . . -103.06 119.24 38.5 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.478 1.111 . . . . 10.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -107.17 148.51 28.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.56 1.163 . . . . 10.0 109.301 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 29.7 t -121.38 159.6 23.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 10.0 109.331 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 95.9 p -170.54 83.75 0.1 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 10.0 109.97 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 5.1 mt -126.24 157.26 36.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 10.0 109.278 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.464 ' CG ' ' HG2' ' A' ' 30' ' ' LYS . 8.4 mt-10 -130.74 103.11 6.41 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.536 1.147 . . . . 10.0 110.286 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -98.56 116.58 31.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 10.0 109.305 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.408 ' CA ' ' HB3' ' A' ' 28' ' ' PRO . 77.6 p -105.83 74.2 1.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 10.0 109.995 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -163.29 -47.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 10.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -87.01 172.67 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 10.0 109.334 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.2 t -152.3 171.59 17.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 10.0 110.006 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.543 ' CD2' ' N ' ' A' ' 106' ' ' LEU . 0.2 OUTLIER -74.53 -42.19 59.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 10.0 109.308 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.14 158.29 44.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 10.0 109.996 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 131.17 -81.9 0.32 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.509 1.131 . . . . 10.0 111.003 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -142.41 -47.32 0.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 0.785 . . . . 10.0 109.315 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 16.3 m80 -100.02 66.93 1.38 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 10.0 109.604 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 81.2 p -65.81 135.45 54.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.565 1.166 . . . . 10.0 110.007 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -85.08 -33.32 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.424 1.078 . . . . 10.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.486 ' CD1' HG12 ' A' ' 151' ' ' ILE . 7.7 mt -47.09 134.92 3.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.565 1.166 . . . . 10.0 109.336 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 122.64 -14.62 8.6 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.483 1.114 . . . . 10.0 111.027 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.77 173.78 7.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.439 0.729 . . . . 10.0 110.334 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.491 HG22 ' CG2' ' A' ' 118' ' ' VAL . 13.9 t -158.08 132.55 8.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 10.0 110.372 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.88 62.53 0.44 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 10.0 109.258 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.491 ' CG2' HG22 ' A' ' 116' ' ' THR . 2.9 t -73.53 152.84 7.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 10.0 109.292 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -125.79 -171.78 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 10.0 109.318 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . 0.596 ' HD1' ' N ' ' A' ' 142' ' ' SER . 31.6 m-70 -140.85 148.04 39.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 10.0 109.622 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.539 ' O ' ' CB ' ' A' ' 122' ' ' LYS . 6.7 tt0 -84.55 46.66 1.26 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 10.0 110.267 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.539 ' CB ' ' O ' ' A' ' 121' ' ' GLU . 0.0 OUTLIER 161.24 168.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 10.0 109.296 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.4 ' CB ' ' HB2' ' A' ' 42' ' ' LEU . . . -99.46 163.37 12.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 10.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -79.65 -11.83 59.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 10.0 109.325 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 4.1 t70 65.47 28.07 11.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 10.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 6.3 mt 54.58 20.07 2.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 10.0 109.29 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 111.86 102.27 2.62 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.513 1.133 . . . . 10.0 110.995 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.59 -75.33 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 0.734 . . . . 10.0 109.275 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 148.38 -18.22 1.32 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.49 1.119 . . . . 10.0 110.991 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -59.37 -162.46 0.08 OUTLIER Glycine 0 CA--C 1.529 0.937 0 N-CA-C 111.034 -0.826 . . . . 10.0 111.034 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . 0.493 ' O ' ' CB ' ' A' ' 132' ' ' GLU . 8.4 p30 -144.83 129.68 18.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 0.724 . . . . 10.0 109.279 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . 0.493 ' CB ' ' O ' ' A' ' 131' ' ' ASN . 0.9 OUTLIER 85.43 -11.13 0.74 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.16 . . . . 10.0 110.323 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -111.05 -65.44 1.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 10.0 110.293 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 76.6 p -74.38 -24.56 59.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.469 1.106 . . . . 10.0 110.019 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 8.5 p -71.05 -10.16 59.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 10.0 110.41 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.7 -55.32 2.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 10.0 109.28 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 60.0 p -118.4 -87.81 0.62 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 10.0 110.385 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 177.14 37.7 0.06 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.456 1.097 . . . . 10.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 41.15 46.05 2.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 0.74 . . . . 10.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . 0.461 ' CB ' ' HB3' ' A' ' 122' ' ' LYS . . . -172.77 -40.11 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 10.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 140' ' ' ALA . . . -35.66 96.14 0.01 OUTLIER Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.536 1.148 . . . . 10.0 110.981 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' SER . . . . . 0.596 ' N ' ' HD1' ' A' ' 120' ' ' HIS . 11.7 t -107.53 98.74 8.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 0.766 . . . . 10.0 109.997 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . 0.56 ' HG3' ' CD2' ' A' ' 48' ' ' HIS . 1.0 OUTLIER -42.95 151.54 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 10.0 110.31 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -140.59 -128.84 0.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.123 . . . . 10.0 109.31 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -65.69 174.93 2.07 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.1 . . . . 10.0 109.253 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 8.6 p -140.72 71.46 1.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 10.0 108.261 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . 0.419 ' C ' ' OG1' ' A' ' 116' ' ' THR . . . -68.29 66.7 0.38 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.57 1.169 . . . . 10.0 111.047 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . 0.485 ' CG2' ' HB ' ' A' ' 116' ' ' THR . 1.2 t -60.97 133.1 26.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.526 0.78 . . . . 10.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 149' ' ' ILE . . . . . 0.466 ' CG2' ' HB2' ' A' ' 4' ' ' ALA . 3.0 mp -77.14 127.78 38.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 10.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -134.91 148.1 19.42 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.559 1.162 . . . . 10.0 110.989 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . 0.486 HG12 ' CD1' ' A' ' 113' ' ' ILE . 21.4 mm -43.77 143.81 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.536 0.786 . . . . 10.0 109.334 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -124.51 172.09 9.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 10.0 109.273 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 10.0 110.332 179.95 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.479 ' CG2' ' CD1' ' A' ' 151' ' ' ILE . 35.6 m . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 110.385 -0.228 . . . . 10.0 110.385 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.13 97.53 9.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.568 1.168 . . . . 10.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . 0.466 ' CB ' HG21 ' A' ' 149' ' ' ILE . . . -84.86 153.81 22.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 10.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.448 HG22 ' CB ' ' A' ' 152' ' ' ALA . 10.5 t -126.05 150.93 31.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 10.0 109.266 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -156.27 88.69 1.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 10.0 109.317 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.5 p -81.81 99.78 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 10.0 109.314 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.501 ' HB2' ' N ' ' A' ' 16' ' ' GLY . 0.7 OUTLIER -46.66 138.83 5.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.148 . . . . 10.0 109.29 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 19.6 tttt -169.71 112.76 0.49 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 10.0 109.329 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 11' ' ' ASP . . . -156.6 -102.61 0.19 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.491 1.119 . . . . 10.0 110.986 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.471 ' HB2' ' CD2' ' A' ' 144' ' ' LEU . 38.4 t0 -40.27 -66.46 0.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 0.753 . . . . 10.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 160.37 -62.39 0.29 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.496 1.123 . . . . 10.0 110.967 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 54.65 3.71 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.514 1.797 . . . . 10.0 111.012 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.49 ' O ' ' CG1' ' A' ' 14' ' ' VAL . 3.4 p -173.41 109.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 10.0 109.307 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -132.12 48.11 2.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 10.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.501 ' N ' ' HB2' ' A' ' 8' ' ' LEU . . . -51.37 168.84 0.46 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.481 1.113 . . . . 10.0 110.985 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.422 HG13 ' C ' ' A' ' 16' ' ' GLY . 64.6 mt -142.13 98.85 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 0.765 . . . . 10.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.49 ' CG2' HD22 ' A' ' 8' ' ' LEU . 0.1 OUTLIER -109.24 133.73 53.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 10.0 109.289 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.445 ' N ' HD13 ' A' ' 18' ' ' ILE . 0.1 OUTLIER -131.06 144.32 51.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 10.0 109.302 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.664 ' CE2' ' CG1' ' A' ' 31' ' ' VAL . 25.0 m-85 -114.31 107.88 16.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 10.0 110.988 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 30' ' ' LYS . 5.0 tt0 -100.0 150.93 21.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 10.0 110.29 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -150.96 83.41 1.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 10.0 110.336 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.3 mttt -75.74 57.99 1.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 10.0 109.283 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.515 ' O ' ' CB ' ' A' ' 25' ' ' SER . 3.8 mp0 -155.62 -47.13 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 10.0 110.305 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.515 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 1.4 t 86.47 -14.87 0.48 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 10.0 109.981 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -157.51 25.29 0.29 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 10.0 109.336 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -125.1 -144.25 6.26 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.486 1.116 . . . . 10.0 110.971 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 152.84 41.24 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.541 1.811 . . . . 10.0 110.993 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 49.0 t -115.18 109.9 30.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 10.0 109.303 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 21' ' ' GLU . 40.5 mttt -74.32 97.59 3.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 10.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.664 ' CG1' ' CE2' ' A' ' 20' ' ' PHE . 23.8 t -95.57 130.27 44.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 10.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 7.0 p90 -158.2 150.54 22.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 10.0 107.985 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -159.86 -176.41 31.91 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.474 1.109 . . . . 10.0 111.011 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 7.5 p -156.28 118.99 4.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 0.77 . . . . 10.0 109.981 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.547 ' O ' ' HA ' ' A' ' 94' ' ' VAL . 0.2 OUTLIER -87.18 166.36 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 10.0 109.301 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.459 ' N ' ' CG2' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -161.95 112.21 1.58 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 10.0 109.314 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.409 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 134.97 -36.36 2.07 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.511 1.132 . . . . 10.0 110.97 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.518 HD22 ' CD2' ' A' ' 43' ' ' HIS . 0.2 OUTLIER -54.31 -169.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 0.76 . . . . 10.0 109.311 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.434 ' O ' ' NE2' ' A' ' 43' ' ' HIS . 3.3 p -121.44 132.42 54.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 10.0 110.434 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.436 ' HA ' ' CB ' ' A' ' 89' ' ' ALA . 0.4 OUTLIER -46.67 132.09 11.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 10.0 110.329 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 136.02 -146.02 18.0 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.521 1.138 . . . . 10.0 111.016 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.434 HD12 ' N ' ' A' ' 42' ' ' LEU . 0.2 OUTLIER -96.24 151.35 19.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 0.805 . . . . 10.0 109.275 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.557 ' HB3' ' CZ ' ' A' ' 45' ' ' PHE . 66.5 m-70 -155.27 166.93 32.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 10.0 109.613 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.599 ' C ' ' CD1' ' A' ' 45' ' ' PHE . . . -119.09 144.94 18.05 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.473 1.108 . . . . 10.0 110.981 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.599 ' CD1' ' C ' ' A' ' 44' ' ' GLY . 4.4 m-85 -155.88 136.66 13.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 0.772 . . . . 10.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.419 ' N ' HD21 ' A' ' 117' ' ' LEU . 23.6 p80 -178.21 176.25 1.12 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 10.0 109.581 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.479 ' CG1' ' N ' ' A' ' 48' ' ' HIS . 44.6 t -57.12 165.19 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.452 1.095 . . . . 10.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.571 ' CD2' ' HG3' ' A' ' 143' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 10.0 109.596 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.002 -0.839 . . . . 10.0 111.002 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.4 ' HB2' ' CD2' ' A' ' 46' ' ' HIS . 6.2 t70 -90.42 124.84 35.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 0.753 . . . . 10.0 109.266 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.5 tt -89.12 -26.1 21.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 10.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 158.82 -169.61 35.18 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.488 1.118 . . . . 10.0 110.998 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.414 ' N ' ' OD1' ' A' ' 86' ' ' ASN . 1.0 OUTLIER -94.49 156.57 16.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 0.751 . . . . 10.0 109.318 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.566 HG21 ' CE1' ' A' ' 45' ' ' PHE . 30.6 m -118.94 -175.11 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 10.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.7 m -135.93 129.11 31.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 10.0 110.351 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.436 ' CB ' ' HA ' ' A' ' 40' ' ' GLU . . . -84.5 173.89 10.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 10.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.447 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 10.1 t70 -83.19 -100.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 10.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.447 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 17.7 mtmt -135.48 6.82 3.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 10.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -142.67 15.6 1.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 10.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.475 ' HA3' ' C ' ' A' ' 38' ' ' LEU . . . 93.13 -30.05 7.53 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.514 1.134 . . . . 10.0 111.003 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.547 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 89.7 t -42.92 107.86 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 0.769 . . . . 10.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -114.87 124.13 50.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 10.0 109.251 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.93 150.65 28.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 10.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 60.8 t -130.6 159.92 42.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 10.0 109.319 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.5 t -164.52 98.44 0.79 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 10.0 110.002 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.422 HG23 ' N ' ' A' ' 100' ' ' GLU . 8.1 mt -130.31 145.93 34.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 10.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.422 ' N ' HG23 ' A' ' 99' ' ' ILE . 52.8 tt0 -131.09 95.91 3.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 10.0 110.291 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.31 162.2 15.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 10.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 78.7 p -131.6 10.98 4.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 10.0 110.008 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 47.6 t -84.48 -36.27 11.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 10.0 109.264 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.4 ' CG1' HG21 ' A' ' 112' ' ' ILE . 0.1 OUTLIER -89.16 177.3 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 10.0 109.277 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' SER . . . . . 0.406 ' O ' ' O ' ' A' ' 110' ' ' HIS . 3.8 t -167.37 139.51 3.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 10.0 109.983 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.45 ' HG ' ' CD1' ' A' ' 112' ' ' ILE . 2.4 mp -71.63 -27.11 62.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.431 1.082 . . . . 10.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -135.49 133.96 39.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.568 1.167 . . . . 10.0 109.932 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 141.12 -85.06 0.21 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.462 1.101 . . . . 10.0 110.956 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -145.93 -46.81 0.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 0.752 . . . . 10.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . 0.406 ' O ' ' O ' ' A' ' 105' ' ' SER . 7.3 m-70 -85.19 53.43 2.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 10.0 109.605 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.41 115.83 2.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 10.0 109.986 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.45 ' CD1' ' HG ' ' A' ' 106' ' ' LEU . 19.4 pt -85.24 -25.39 6.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 10.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 2.4 mt -60.68 127.96 21.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 10.0 109.316 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 116.86 4.28 17.0 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.515 1.134 . . . . 10.0 110.969 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.405 ' CA ' HG22 ' A' ' 47' ' ' VAL . 24.2 mtt180 -84.58 116.56 23.22 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 0.775 . . . . 10.0 110.275 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.474 ' O ' ' N ' ' A' ' 118' ' ' VAL . 7.5 m -91.71 73.27 5.83 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.128 . . . . 10.0 110.376 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.515 ' O ' ' CD1' ' A' ' 117' ' ' LEU . 3.2 tm? -63.26 77.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 10.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.521 ' CG1' ' O ' ' A' ' 145' ' ' ALA . 13.3 m -80.26 172.38 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 10.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 3.1 m -117.42 139.71 43.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 10.0 109.299 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 74.5 m-70 -105.09 145.22 30.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 10.0 109.619 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -39.09 -52.0 1.87 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 10.0 110.32 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 64.0 mttt -126.67 -167.83 1.78 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 10.0 109.263 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -93.36 179.98 5.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.567 1.167 . . . . 10.0 109.326 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 -70.65 -7.82 47.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 10.0 109.331 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 62.39 25.43 15.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 10.0 109.3 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 16.5 mt 56.9 18.38 3.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 10.0 109.289 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 130' ' ' GLY . . . 89.43 -16.54 55.9 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.484 1.115 . . . . 10.0 111.009 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 3.7 tttt 48.1 31.39 2.48 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 0.757 . . . . 10.0 109.267 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 130' ' ' GLY . . . 73.34 30.93 61.84 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.496 1.122 . . . . 10.0 111.04 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 127' ' ' GLY . . . 58.52 118.73 0.01 OUTLIER Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.019 -0.832 . . . . 10.0 111.019 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . 0.495 ' O ' ' N ' ' A' ' 135' ' ' THR . 5.3 t-20 -141.87 155.12 45.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 0.794 . . . . 10.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 131' ' ' ASN . 39.7 mt-10 -36.91 -30.66 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 10.0 110.307 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . 0.48 ' N ' ' O ' ' A' ' 131' ' ' ASN . 0.5 OUTLIER -86.65 -50.0 7.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 10.0 110.262 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 131' ' ' ASN . 0.3 OUTLIER -67.66 -53.84 24.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 10.0 110.021 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' THR . . . . . 0.495 ' N ' ' O ' ' A' ' 131' ' ' ASN . 52.9 p -46.47 -23.44 0.38 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 10.0 110.371 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 5.9 tttt -101.11 -36.17 9.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 10.0 109.296 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' THR . . . . . 0.438 ' OG1' ' N ' ' A' ' 138' ' ' GLY . 81.8 p -134.76 -96.99 0.26 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 10.0 110.399 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . 0.438 ' N ' ' OG1' ' A' ' 137' ' ' THR . . . 178.95 36.4 0.06 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.504 1.128 . . . . 10.0 110.97 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 41.17 30.84 0.12 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.544 0.791 . . . . 10.0 109.274 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . 0.415 ' N ' ' C ' ' A' ' 138' ' ' GLY . . . -89.24 -60.74 1.87 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 10.0 109.279 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 152.0 -86.81 0.14 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.499 1.124 . . . . 10.0 111.039 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 3.5 t -176.53 146.57 0.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 0.77 . . . . 10.0 110.023 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . 0.571 ' HG3' ' CD2' ' A' ' 48' ' ' HIS . 0.0 OUTLIER -55.46 166.87 0.56 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 10.0 110.298 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . 0.471 ' CD2' ' HB2' ' A' ' 11' ' ' ASP . 52.9 mt -146.89 -108.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 10.0 109.341 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . 0.521 ' O ' ' CG1' ' A' ' 118' ' ' VAL . . . -43.23 163.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 10.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -136.79 70.21 1.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 10.0 108.305 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -73.68 62.73 1.94 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.502 1.126 . . . . 10.0 111.017 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 4.0 t -65.06 133.5 30.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.505 0.768 . . . . 10.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 149' ' ' ILE . . . . . 0.541 ' CG1' ' CE1' ' A' ' 20' ' ' PHE . 1.3 mp -63.78 122.42 14.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 10.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -134.8 116.26 1.55 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.476 1.11 . . . . 10.0 110.989 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . 0.479 ' CD1' ' CG2' ' A' ' 2' ' ' THR . 9.8 mm -47.54 151.47 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 0.767 . . . . 10.0 109.261 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . 0.448 ' CB ' HG22 ' A' ' 5' ' ' VAL . . . -143.66 156.01 44.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 10.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 10.0 110.296 -179.998 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.455 ' CG2' HD11 ' A' ' 151' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.405 -0.22 . . . . 10.0 110.405 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.1 ttpm? -83.02 102.45 11.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 10.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . 0.473 ' HB2' ' CG2' ' A' ' 149' ' ' ILE . . . -86.57 154.86 20.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 10.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.44 ' CG2' ' CB ' ' A' ' 152' ' ' ALA . 0.7 OUTLIER -127.96 147.08 32.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 10.0 109.282 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.492 ' CB ' HD13 ' A' ' 149' ' ' ILE . . . -151.88 90.35 1.53 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 10.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.3 p -81.65 104.84 10.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 10.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.503 ' N ' HD22 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -45.99 122.93 4.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 10.0 109.289 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.44 -46.14 70.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.562 1.164 . . . . 10.0 109.321 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.408 ' HA3' ' O ' ' A' ' 14' ' ' VAL . . . 73.16 120.03 0.07 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.496 1.123 . . . . 10.0 111.03 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -51.57 -21.99 2.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 0.729 . . . . 10.0 109.256 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 179.12 -60.39 0.08 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.485 1.115 . . . . 10.0 111.022 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -59.25 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.445 1.761 . . . . 10.0 111.044 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.408 ' O ' ' HA3' ' A' ' 10' ' ' GLY . 7.4 t -45.46 150.0 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 10.0 109.29 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 175.59 54.02 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.13 . . . . 10.0 110.235 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.452 ' HA3' ' O ' ' A' ' 34' ' ' SER . . . -96.12 -169.69 34.91 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.521 1.138 . . . . 10.0 110.965 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 52.2 mt -141.08 122.1 13.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.529 0.782 . . . . 10.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.557 HD11 ' CD1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -126.92 126.22 68.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 10.0 109.295 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -113.75 159.44 19.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 10.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.676 ' CE1' ' CG1' ' A' ' 31' ' ' VAL . 1.5 m-85 -129.23 101.09 5.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 10.0 110.972 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 30' ' ' LYS . 12.0 tt0 -101.0 153.81 19.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 10.0 110.299 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -148.08 62.54 1.11 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.518 1.136 . . . . 10.0 110.259 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.6 mtpt -71.49 64.56 0.43 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.125 . . . . 10.0 109.302 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -152.44 166.25 32.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 10.0 110.276 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 49.5 m -69.84 57.56 0.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 10.0 109.97 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 33.7 m-20 61.15 32.39 19.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 10.0 109.332 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -97.1 -114.14 3.14 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.512 1.133 . . . . 10.0 111.05 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 163.55 35.03 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.52 1.8 . . . . 10.0 110.996 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.5 t -125.49 129.77 72.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 10.0 109.33 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 21' ' ' GLU . 8.6 mttt -87.96 90.86 8.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 10.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.676 ' CG1' ' CE1' ' A' ' 20' ' ' PHE . 74.0 t -85.02 135.09 25.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 10.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -160.3 156.28 26.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 10.0 107.998 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.422 ' CA ' ' HA ' ' A' ' 18' ' ' ILE . . . -177.1 -171.97 41.2 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.455 1.097 . . . . 10.0 111.022 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.452 ' O ' ' HA3' ' A' ' 16' ' ' GLY . 0.6 OUTLIER -156.98 116.34 3.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 0.754 . . . . 10.0 109.998 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.439 ' O ' ' HA ' ' A' ' 94' ' ' VAL . 0.3 OUTLIER -83.55 161.72 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 10.0 109.307 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.408 ' N ' HG21 ' A' ' 35' ' ' ILE . 13.0 mttt -151.56 92.97 1.82 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 10.0 109.31 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 150.77 -30.97 1.01 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.49 1.119 . . . . 10.0 111.012 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.425 ' O ' ' O ' ' A' ' 37' ' ' GLY . 8.6 mt -54.72 -167.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 0.749 . . . . 10.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.416 ' O ' ' C ' ' A' ' 40' ' ' GLU . 2.8 p -140.64 126.31 19.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 10.0 110.408 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 39' ' ' THR . 0.9 OUTLIER -37.77 103.36 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 10.0 110.27 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 157.3 170.88 22.69 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.513 1.133 . . . . 10.0 110.996 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.23 160.83 3.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 0.765 . . . . 10.0 109.239 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 76.4 m-70 -149.74 167.58 26.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 10.0 109.649 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.21 178.89 43.52 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.529 1.143 . . . . 10.0 111.021 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.419 ' HB2' ' NE2' ' A' ' 120' ' ' HIS . 39.2 m-85 -55.2 175.75 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 0.78 . . . . 10.0 110.992 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.707 ' CE1' ' CD1' ' A' ' 117' ' ' LEU . 0.6 OUTLIER -145.18 60.16 1.3 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 10.0 109.552 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 83.0 t -147.59 152.0 13.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 10.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 10.0 109.596 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.02 -0.832 . . . . 10.0 111.02 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -50.84 143.73 9.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 0.748 . . . . 10.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -162.03 -60.3 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 10.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 168.06 -136.44 4.1 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.465 1.103 . . . . 10.0 110.963 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 16.2 m-20 -138.66 136.79 36.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 0.753 . . . . 10.0 109.353 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 4.4 m -104.36 153.44 6.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 10.0 109.316 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.5 m -131.22 149.98 52.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 10.0 110.398 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.406 ' HB2' ' CA ' ' A' ' 93' ' ' GLY . . . -85.57 166.67 16.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 10.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.45 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 7.6 t0 -68.44 -95.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.094 . . . . 10.0 109.258 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.509 ' CG ' ' O ' ' A' ' 91' ' ' LYS . 28.6 tttt -141.13 14.07 2.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 10.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -158.95 25.68 0.21 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 10.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.406 ' CA ' ' HB2' ' A' ' 89' ' ' ALA . . . 94.19 -38.59 3.1 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.504 1.128 . . . . 10.0 111.023 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.439 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 47.7 t -46.12 103.52 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.521 0.777 . . . . 10.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -103.95 114.66 29.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 10.0 109.328 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -108.08 150.89 26.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 10.0 109.284 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.483 HG11 ' CD1' ' A' ' 99' ' ' ILE . 42.1 t -123.78 159.72 28.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 10.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 11.8 p -178.77 79.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 10.0 110.0 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.483 ' CD1' HG11 ' A' ' 97' ' ' VAL . 3.0 mp -137.31 165.21 27.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 10.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -127.38 106.16 9.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 10.0 110.308 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -84.25 114.44 21.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 10.0 109.302 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 86.7 p -98.36 50.12 1.0 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 10.0 110.018 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 77.0 t -144.26 -46.14 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 10.0 109.32 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.55 HG23 ' CD2' ' A' ' 110' ' ' HIS . 1.0 OUTLIER -92.74 -179.11 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 10.0 109.292 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 97.2 p -178.71 -175.38 0.41 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 10.0 110.004 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -109.48 27.64 9.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 10.0 109.332 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.12 179.99 5.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 10.0 109.955 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -78.52 76.03 1.9 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.5 1.125 . . . . 10.0 110.993 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 176.79 -56.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 0.776 . . . . 10.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . 0.55 ' CD2' HG23 ' A' ' 104' ' ' ILE . 10.9 m80 -90.22 -55.75 3.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 10.0 109.617 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 58.4 p 41.66 88.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 10.0 109.992 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.433 ' O ' ' N ' ' A' ' 114' ' ' GLY . 29.4 pt -96.14 1.32 10.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 10.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 7.9 mm -67.38 72.05 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 10.0 109.277 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 112' ' ' ILE . . . 172.32 39.07 0.03 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.491 1.119 . . . . 10.0 110.969 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.467 ' O ' ' CD2' ' A' ' 117' ' ' LEU . 0.2 OUTLIER -86.06 104.67 15.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 0.766 . . . . 10.0 110.3 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.406 ' O ' ' O ' ' A' ' 46' ' ' HIS . 7.7 m -78.72 79.38 5.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 10.0 110.434 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.707 ' CD1' ' CE1' ' A' ' 46' ' ' HIS . 3.1 mm? -61.81 91.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.113 . . . . 10.0 109.271 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.55 ' O ' ' CG2' ' A' ' 118' ' ' VAL . 5.2 m -125.98 78.22 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 10.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 13.8 m -41.63 137.81 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.113 . . . . 10.0 109.284 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . 0.582 ' CD2' ' O ' ' A' ' 140' ' ' ALA . 6.6 m-70 -85.12 177.92 7.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 10.0 109.582 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -119.11 62.04 0.8 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.09 . . . . 10.0 110.307 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.428 ' CB ' ' HA ' ' A' ' 140' ' ' ALA . 0.9 OUTLIER 173.31 168.99 0.16 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.121 . . . . 10.0 109.316 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.493 ' O ' ' CB ' ' A' ' 140' ' ' ALA . . . -74.16 -141.71 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 10.0 109.299 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -158.83 91.21 1.04 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 10.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.3 -21.49 59.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 10.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 10.0 mt 57.8 18.0 4.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.115 . . . . 10.0 109.277 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -142.44 -129.66 2.4 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.452 1.095 . . . . 10.0 111.021 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.551 ' CG ' ' O ' ' A' ' 128' ' ' LYS . 1.4 tttt -131.68 89.76 2.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 0.775 . . . . 10.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -85.82 16.47 41.54 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.496 1.122 . . . . 10.0 110.963 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 175.2 -148.18 9.39 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 111.004 -0.838 . . . . 10.0 111.004 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 65.3 m-80 -144.7 140.22 28.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 0.778 . . . . 10.0 109.282 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 50.22 21.79 0.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 10.0 110.337 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -132.22 -72.26 0.53 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 10.0 110.271 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 138' ' ' GLY . 0.7 OUTLIER -85.03 -20.93 29.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 10.0 109.973 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 28.1 p -72.72 -3.4 24.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.102 . . . . 10.0 110.39 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 3.1 pttt -114.87 -40.89 3.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 10.0 109.314 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' THR . . . . . 0.446 ' CG2' ' N ' ' A' ' 138' ' ' GLY . 2.6 t -99.91 -48.37 4.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 10.0 110.386 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . 0.46 ' O ' ' CB ' ' A' ' 139' ' ' ASN . . . 118.83 16.46 5.4 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.486 1.117 . . . . 10.0 110.987 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' ASN . . . . . 0.46 ' CB ' ' O ' ' A' ' 138' ' ' GLY . 6.6 t-20 78.98 55.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 0.772 . . . . 10.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . 0.582 ' O ' ' CD2' ' A' ' 120' ' ' HIS . . . 169.98 48.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 10.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -104.49 71.92 0.25 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.476 1.11 . . . . 10.0 111.025 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -142.0 81.8 1.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 0.751 . . . . 10.0 110.029 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . 0.43 ' NH1' ' HB2' ' A' ' 143' ' ' ARG . 3.5 mtp-105 -52.84 143.65 16.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 10.0 110.236 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 12.8 mt -130.04 -66.63 0.78 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 10.0 109.279 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . 0.425 ' O ' ' HB ' ' A' ' 118' ' ' VAL . . . -87.52 173.76 8.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 10.0 109.332 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 146' ' ' CYS . . . . . 0.441 ' HA ' ' CG1' ' A' ' 118' ' ' VAL . 56.2 m -156.53 68.72 0.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.143 . . . . 10.0 108.301 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -108.02 80.23 0.27 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.419 1.075 . . . . 10.0 110.992 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . 0.439 ' CG1' ' N ' ' A' ' 149' ' ' ILE . 2.8 t -70.11 159.76 5.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 0.766 . . . . 10.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 149' ' ' ILE . . . . . 0.492 HD13 ' CB ' ' A' ' 6' ' ' ALA . 26.3 mm -74.89 147.58 8.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 10.0 109.342 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 151' ' ' ILE . . . -157.03 100.85 0.2 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.481 1.113 . . . . 10.0 110.992 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . 0.455 HD11 ' CG2' ' A' ' 2' ' ' THR . 8.9 mm -37.62 143.1 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.435 0.726 . . . . 10.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . 0.44 ' CB ' ' CG2' ' A' ' 5' ' ' VAL . . . -135.9 173.48 11.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 10.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 10.0 110.266 179.998 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.9 m . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.392 -0.225 . . . . 10.0 110.392 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.413 ' HG2' ' N ' ' A' ' 4' ' ' ALA . 6.7 ttmt -109.38 141.4 41.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 10.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . 0.425 ' CB ' HG22 ' A' ' 149' ' ' ILE . . . -128.26 162.45 26.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 10.0 109.268 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.434 ' HA ' ' HA ' ' A' ' 19' ' ' ASN . 0.1 OUTLIER -147.13 149.73 15.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 10.0 109.28 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.48 ' CB ' ' O ' ' A' ' 147' ' ' GLY . . . -143.59 101.35 3.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 10.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.453 ' CG1' ' O ' ' A' ' 7' ' ' VAL . 8.6 p -83.44 90.0 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 10.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.504 ' HB2' ' N ' ' A' ' 16' ' ' GLY . 4.4 mm? -39.8 140.19 0.55 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 10.0 109.265 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.93 121.74 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 10.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -171.08 -83.28 0.05 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.484 1.115 . . . . 10.0 111.039 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -50.97 -56.64 11.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 0.762 . . . . 10.0 109.257 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 149.81 -56.6 0.47 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.575 1.172 . . . . 10.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -25.07 12.22 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.45 1.763 . . . . 10.0 111.049 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.7 t -81.8 104.12 9.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 10.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.451 ' OE1' ' CG2' ' A' ' 7' ' ' VAL . 0.0 OUTLIER -129.41 39.28 3.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 10.0 110.302 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.504 ' N ' ' HB2' ' A' ' 8' ' ' LEU . . . -51.5 167.28 0.68 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.557 1.16 . . . . 10.0 111.053 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.414 HG13 ' C ' ' A' ' 16' ' ' GLY . 63.6 mt -142.72 106.69 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.506 0.768 . . . . 10.0 109.359 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.501 ' CD1' ' N ' ' A' ' 19' ' ' ASN . 0.1 OUTLIER -114.18 135.54 53.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 10.0 109.324 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.501 ' N ' ' CD1' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -129.82 144.82 51.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.118 . . . . 10.0 109.316 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.637 ' CE1' ' CG1' ' A' ' 31' ' ' VAL . 2.9 m-30 -112.51 130.7 55.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 10.0 111.023 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -113.12 127.35 56.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 10.0 110.315 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.465 ' CD ' ' CG2' ' A' ' 29' ' ' VAL . 6.4 tp60 -155.07 61.0 0.65 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 10.0 110.285 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.6 mtmt -78.89 60.86 2.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.431 1.082 . . . . 10.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.476 ' O ' ' CB ' ' A' ' 25' ' ' SER . 0.2 OUTLIER -155.56 -44.63 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 10.0 110.313 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.476 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 2.0 t 83.99 -1.89 1.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 10.0 109.988 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -163.98 29.74 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 10.0 109.27 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.427 ' O ' ' NE2' ' A' ' 22' ' ' GLN . . . -125.27 -163.06 11.52 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.478 1.111 . . . . 10.0 111.005 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.411 ' C ' ' OE1' ' A' ' 22' ' ' GLN . 18.2 Cg_endo -75.02 132.9 15.92 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.509 1.794 . . . . 10.0 111.017 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.465 ' CG2' ' CD ' ' A' ' 22' ' ' GLN . 28.8 t -91.87 87.5 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.425 1.078 . . . . 10.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.596 ' O ' ' CE3' ' A' ' 32' ' ' TRP . 48.2 mttt -60.72 87.63 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 10.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.637 ' CG1' ' CE1' ' A' ' 20' ' ' PHE . 66.9 t -89.76 138.48 19.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 10.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.596 ' CE3' ' O ' ' A' ' 30' ' ' LYS . 14.1 p90 -167.89 142.34 3.57 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.974 -1.121 . . . . 10.0 107.974 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -151.78 -169.78 17.72 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.445 1.091 . . . . 10.0 111.001 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.4 m -157.51 122.13 4.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 0.761 . . . . 10.0 109.984 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.481 ' O ' ' CG ' ' A' ' 36' ' ' LYS . 0.1 OUTLIER -84.3 167.01 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 10.0 109.291 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.481 ' CG ' ' O ' ' A' ' 35' ' ' ILE . 22.8 mttt -156.21 114.64 3.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 10.0 109.263 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.452 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 129.03 -42.35 1.44 Allowed Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.488 1.118 . . . . 10.0 110.996 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.653 ' CD2' ' CG ' ' A' ' 43' ' ' HIS . 0.6 OUTLIER -53.33 -169.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 0.805 . . . . 10.0 109.293 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.5 p -141.71 147.6 37.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 10.0 110.429 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -42.93 104.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 10.0 110.289 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.614 ' O ' ' CE1' ' A' ' 43' ' ' HIS . . . 165.21 -178.1 40.35 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.5 1.125 . . . . 10.0 111.002 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.405 ' CD1' ' N ' ' A' ' 42' ' ' LEU . 4.5 mp -89.01 131.63 35.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 0.77 . . . . 10.0 109.33 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.653 ' CG ' ' CD2' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -107.66 150.5 26.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 10.0 109.599 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.477 ' HA3' ' CG ' ' A' ' 120' ' ' HIS . . . -42.07 162.5 0.03 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.511 1.132 . . . . 10.0 110.988 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.614 ' O ' ' CD2' ' A' ' 48' ' ' HIS . 5.5 m-85 -78.14 128.28 33.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 0.759 . . . . 10.0 110.996 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -64.5 175.33 1.41 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 10.0 109.583 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.465 ' O ' ' ND1' ' A' ' 48' ' ' HIS . 24.6 t 69.53 59.44 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 10.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.614 ' CD2' ' O ' ' A' ' 45' ' ' PHE . 8.1 m-70 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 10.0 109.564 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 110.999 -0.84 . . . . 10.0 110.999 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -47.7 128.25 12.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 0.747 . . . . 10.0 109.309 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 9.2 tt -131.01 -51.55 1.04 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 10.0 109.3 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.542 ' HA2' ' CE2' ' A' ' 45' ' ' PHE . . . 170.92 160.91 20.61 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.495 1.122 . . . . 10.0 110.984 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.606 ' OD1' ' CD1' ' A' ' 45' ' ' PHE . 2.1 m-20 -86.09 150.53 24.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.53 0.782 . . . . 10.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.1 m -110.61 134.0 54.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 10.0 109.26 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 90.2 m -107.5 147.58 30.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 10.0 110.379 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.441 ' CB ' ' HA2' ' A' ' 93' ' ' GLY . . . -86.56 175.63 8.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 10.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.441 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 11.6 t0 -83.69 -96.69 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 10.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.441 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 10.8 ptmt -135.33 8.53 3.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 10.0 109.263 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -157.5 25.43 0.29 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 10.0 109.308 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' A' ' 95' ' ' ALA . . . 97.05 -42.24 2.2 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.467 1.105 . . . . 10.0 110.958 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.415 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 21.6 t -39.27 98.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.471 0.748 . . . . 10.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 93' ' ' GLY . . . -101.49 113.14 25.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 10.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -111.61 144.4 40.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 10.0 109.301 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.446 ' CG1' HD12 ' A' ' 99' ' ' ILE . 44.0 t -120.83 162.81 19.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.55 1.156 . . . . 10.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.1 t -167.97 95.9 0.42 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 10.0 110.036 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.446 HD12 ' CG1' ' A' ' 97' ' ' VAL . 4.2 mt -125.86 143.26 39.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 10.0 109.322 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -125.4 86.63 2.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 10.0 110.275 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -106.9 137.69 44.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 10.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 77.0 p -116.77 31.92 6.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 10.0 110.044 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 98.2 t -106.09 -50.06 8.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 10.0 109.299 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.47 ' HB ' ' CG2' ' A' ' 112' ' ' ILE . 0.2 OUTLIER -68.89 -176.67 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 10.0 109.28 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' SER . . . . . 0.416 ' O ' ' N ' ' A' ' 111' ' ' SER . 0.9 OUTLIER -175.61 152.33 1.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 10.0 110.003 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.464 ' CD1' ' HG2' ' A' ' 22' ' ' GLN . 1.8 mp -89.99 7.23 38.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 10.0 109.342 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -93.76 -179.17 4.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 10.0 109.996 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -72.95 80.05 0.71 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.486 1.116 . . . . 10.0 110.982 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -167.9 -58.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 0.754 . . . . 10.0 109.325 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 48.2 m80 -112.57 -42.13 3.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 10.0 109.616 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.416 ' N ' ' O ' ' A' ' 105' ' ' SER . 37.2 t 45.89 93.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 10.0 109.992 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.47 ' CG2' ' HB ' ' A' ' 104' ' ' ILE . 30.6 pt -84.87 -19.8 8.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.426 1.079 . . . . 10.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 11.1 mm -54.81 129.7 16.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 10.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 121.03 2.04 11.25 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.508 1.13 . . . . 10.0 111.044 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.406 ' NH1' ' HA ' ' A' ' 112' ' ' ILE . 0.1 OUTLIER -93.32 136.04 33.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 0.751 . . . . 10.0 110.303 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.512 ' HG1' ' N ' ' A' ' 147' ' ' GLY . 3.6 t -129.85 131.82 46.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 10.0 110.398 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.72 77.98 9.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 10.0 109.327 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.486 ' CG2' ' O ' ' A' ' 145' ' ' ALA . 2.9 p -99.77 126.08 53.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.12 . . . . 10.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.454 ' CG2' HD12 ' A' ' 38' ' ' LEU . 18.2 m -102.54 151.82 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 10.0 109.362 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . 0.477 ' CG ' ' HA3' ' A' ' 44' ' ' GLY . 28.7 m170 -86.43 170.61 11.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 10.0 109.616 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.409 ' HB2' ' CB ' ' A' ' 142' ' ' SER . 0.0 OUTLIER -69.73 -15.92 63.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.576 1.172 . . . . 10.0 110.288 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.42 ' HB2' ' CB ' ' A' ' 140' ' ' ALA . 1.7 tttt -138.72 -157.77 0.8 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 10.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -85.32 -159.71 0.46 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 10.0 109.317 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.422 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 0.2 OUTLIER -162.37 97.59 1.0 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 10.0 109.302 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . 0.466 ' O ' ' N ' ' A' ' 127' ' ' GLY . 0.7 OUTLIER -130.61 101.16 5.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.132 . . . . 10.0 109.295 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.5 mp -68.94 54.1 0.09 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.453 1.096 . . . . 10.0 109.308 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 125' ' ' ASP . . . 171.95 71.06 0.04 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.535 1.147 . . . . 10.0 110.977 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -111.74 -30.42 7.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 0.756 . . . . 10.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 156.79 -41.2 0.55 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.535 1.147 . . . . 10.0 110.981 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -104.41 119.72 6.37 Favored Glycine 0 CA--C 1.529 0.967 0 N-CA-C 111.004 -0.838 . . . . 10.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . 0.495 ' O ' ' CB ' ' A' ' 132' ' ' GLU . 1.2 p30 -100.82 107.5 19.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 0.754 . . . . 10.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . 0.495 ' CB ' ' O ' ' A' ' 131' ' ' ASN . 10.8 tt0 161.05 -27.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 10.0 110.296 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . 0.411 ' O ' ' OG1' ' A' ' 137' ' ' THR . 0.5 OUTLIER -116.03 -34.45 4.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 10.0 110.32 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 9.4 p -96.45 -3.78 42.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 10.0 110.017 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -88.12 -25.17 23.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 10.0 110.42 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 9.5 pttt -103.12 -33.68 9.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 10.0 109.348 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' THR . . . . . 0.411 ' OG1' ' O ' ' A' ' 133' ' ' GLN . 70.2 p -129.48 -91.78 0.46 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 10.0 110.409 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 171.97 40.71 0.04 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.525 1.141 . . . . 10.0 110.993 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 49.7 t30 52.6 22.46 2.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 0.758 . . . . 10.0 109.336 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . 0.42 ' CB ' ' HB2' ' A' ' 122' ' ' LYS . . . -169.87 68.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 10.0 109.295 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -95.52 88.71 1.1 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.549 1.156 . . . . 10.0 110.971 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' SER . . . . . 0.409 ' CB ' ' HB2' ' A' ' 121' ' ' GLU . 0.3 OUTLIER -134.95 84.94 2.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 0.742 . . . . 10.0 110.025 179.943 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 142' ' ' SER . 1.1 tmm_? -38.11 154.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 10.0 110.255 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 63.7 mt -130.4 -105.3 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 10.0 109.33 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . 0.486 ' O ' ' CG2' ' A' ' 118' ' ' VAL . . . -87.49 175.21 8.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 10.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 7.6 p -148.35 70.27 1.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 10.0 108.329 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . 0.512 ' N ' ' HG1' ' A' ' 116' ' ' THR . . . -70.61 63.86 0.85 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.497 1.123 . . . . 10.0 110.968 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . 0.463 ' CG2' ' HB ' ' A' ' 116' ' ' THR . 2.3 t -58.97 115.45 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 0.769 . . . . 10.0 109.288 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 149' ' ' ILE . . . . . 0.564 HG12 ' CE1' ' A' ' 20' ' ' PHE . 1.7 mp -60.97 115.38 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 10.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -127.56 131.7 7.22 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.53 1.144 . . . . 10.0 111.029 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 17.9 mm -40.7 148.2 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 0.753 . . . . 10.0 109.257 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -104.12 174.84 5.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 10.0 109.254 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 10.0 110.262 -179.953 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.0 m . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.382 -0.229 . . . . 10.0 110.382 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.458 ' CG ' ' O ' ' A' ' 20' ' ' PHE . 20.1 ttpt -140.08 110.67 6.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 10.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . 0.501 ' CB ' ' HB2' ' A' ' 20' ' ' PHE . . . -84.22 168.44 15.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 10.0 109.32 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.41 HG22 ' CB ' ' A' ' 152' ' ' ALA . 2.3 t -143.22 159.48 17.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 10.0 109.272 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.419 ' CB ' HG21 ' A' ' 18' ' ' ILE . . . -152.68 92.29 1.65 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 10.0 109.336 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.2 m -84.21 95.91 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 10.0 109.31 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.496 ' CD2' HG23 ' A' ' 18' ' ' ILE . 4.6 mm? -41.62 140.25 0.99 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 10.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.63 -67.1 0.76 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.164 . . . . 10.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 64.76 115.52 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.511 1.132 . . . . 10.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.2 -19.81 3.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 0.781 . . . . 10.0 109.261 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.517 ' N ' ' CD ' ' A' ' 13' ' ' PRO . . . 161.9 -49.53 0.34 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.483 1.115 . . . . 10.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.517 ' CD ' ' N ' ' A' ' 12' ' ' GLY . 18.2 Cg_endo -75.04 7.49 2.86 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.497 1.788 . . . . 10.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.7 t -140.12 152.92 22.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 10.0 109.299 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 176.84 54.72 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.105 . . . . 10.0 110.334 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.49 ' CA ' ' HA ' ' A' ' 35' ' ' ILE . . . -74.43 171.97 52.62 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.54 1.15 . . . . 10.0 111.002 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.434 HG13 ' C ' ' A' ' 16' ' ' GLY . 63.6 mt -142.84 105.1 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.456 0.739 . . . . 10.0 109.271 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.524 ' CD1' ' N ' ' A' ' 19' ' ' ASN . 0.1 OUTLIER -109.29 134.29 51.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 10.0 109.282 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.524 ' N ' ' CD1' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -122.22 143.6 49.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 10.0 109.283 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.578 ' CE1' HG11 ' A' ' 31' ' ' VAL . 2.2 m-85 -108.77 134.86 50.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 10.0 111.022 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.511 ' HB2' ' CH2' ' A' ' 32' ' ' TRP . 0.0 OUTLIER -128.55 125.62 38.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 10.0 110.319 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.457 ' N ' ' CD ' ' A' ' 21' ' ' GLU . 1.6 tt0 -141.0 86.18 2.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 10.0 110.325 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.2 mtpt -86.73 45.5 1.26 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 10.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.421 ' HB3' ' N ' ' A' ' 27' ' ' GLY . 0.8 OUTLIER -155.7 137.44 14.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 10.0 110.3 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -78.78 -11.59 59.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 10.0 109.962 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -155.56 32.63 0.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 10.0 109.327 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.421 ' N ' ' HB3' ' A' ' 24' ' ' GLU . . . -111.23 -167.94 18.75 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.5 1.125 . . . . 10.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.433 ' HB3' ' CA ' ' A' ' 102' ' ' SER . 18.4 Cg_endo -75.06 -174.75 2.06 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.444 1.76 . . . . 10.0 110.975 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 85.3 t -134.97 92.2 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 10.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.506 ' O ' ' CZ3' ' A' ' 32' ' ' TRP . 16.4 mtpt -53.89 94.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 10.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.578 HG11 ' CE1' ' A' ' 20' ' ' PHE . 90.4 t -96.07 129.12 46.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 10.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.511 ' CH2' ' HB2' ' A' ' 21' ' ' GLU . 17.3 p90 -161.36 141.36 10.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 10.0 108.021 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -152.32 -167.76 15.68 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.513 1.133 . . . . 10.0 110.979 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 60.3 p -156.56 121.13 4.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 0.792 . . . . 10.0 110.02 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.49 ' HA ' ' CA ' ' A' ' 16' ' ' GLY . 0.3 OUTLIER -84.51 165.12 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 10.0 109.318 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.476 ' N ' ' CG2' ' A' ' 35' ' ' ILE . 66.3 mttt -154.46 118.78 4.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 10.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 122.7 -30.77 5.01 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.498 1.124 . . . . 10.0 110.982 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.478 ' CD1' HG21 ' A' ' 35' ' ' ILE . 3.0 mt -55.36 -166.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 0.731 . . . . 10.0 109.268 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.7 p -137.1 145.34 43.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.456 1.098 . . . . 10.0 110.423 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -53.68 96.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 10.0 110.294 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.453 ' O ' ' NE2' ' A' ' 43' ' ' HIS . . . -175.27 176.97 47.33 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.527 1.142 . . . . 10.0 110.965 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.474 ' CD2' ' OG1' ' A' ' 88' ' ' THR . 1.8 mt -92.62 128.4 38.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 0.781 . . . . 10.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.453 ' NE2' ' O ' ' A' ' 41' ' ' GLY . 0.0 OUTLIER -125.61 150.86 47.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 10.0 109.57 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.78 -163.67 0.04 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.476 1.11 . . . . 10.0 110.979 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.562 ' CD2' ' HA ' ' A' ' 83' ' ' ASP . 1.2 t80 -94.55 175.0 6.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 0.775 . . . . 10.0 111.016 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.471 ' CD2' ' H ' ' A' ' 46' ' ' HIS . 0.0 OUTLIER -120.91 73.55 1.03 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 10.0 109.588 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.499 HG23 ' CD2' ' A' ' 45' ' ' PHE . 21.7 t -152.44 88.05 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 10.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.611 ' CE1' ' NE2' ' A' ' 120' ' ' HIS . 3.0 m-70 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 10.0 109.588 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 110.993 -0.843 . . . . 10.0 110.993 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.562 ' HA ' ' CD2' ' A' ' 45' ' ' PHE . 3.8 m-20 -116.29 146.34 42.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 0.752 . . . . 10.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.2 tp -82.24 -53.62 5.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 10.0 109.25 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -169.9 -133.16 1.55 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.499 1.124 . . . . 10.0 110.972 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 -126.6 143.35 51.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.435 0.727 . . . . 10.0 109.341 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -99.18 178.89 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 10.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.474 ' OG1' ' CD2' ' A' ' 42' ' ' LEU . 87.4 m -154.81 147.88 24.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 10.0 110.45 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -86.68 174.7 8.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 10.0 109.301 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.445 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 12.4 t0 -87.36 -97.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 10.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.445 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 39.9 pttt -137.31 10.09 2.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.086 . . . . 10.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -148.34 19.26 1.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 10.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.415 ' HA3' ' C ' ' A' ' 38' ' ' LEU . . . 89.84 -27.73 7.83 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.483 1.114 . . . . 10.0 110.989 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.454 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 40.0 t -47.1 107.13 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.489 0.758 . . . . 10.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -113.05 117.3 31.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 10.0 109.289 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -111.89 147.27 36.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 10.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 93.3 t -121.94 163.36 20.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 10.0 109.317 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 22.7 t -169.0 97.32 0.36 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 10.0 109.984 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.4 mt -130.65 160.54 41.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 10.0 109.309 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.405 ' CG ' ' HG2' ' A' ' 30' ' ' LYS . 3.9 mt-10 -127.29 88.05 2.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 10.0 110.28 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -87.89 117.86 27.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 10.0 109.266 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.433 ' CA ' ' HB3' ' A' ' 28' ' ' PRO . 1.1 p -111.18 21.33 16.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 10.0 110.018 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -110.79 -23.21 4.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 10.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.475 ' HB ' ' CG2' ' A' ' 112' ' ' ILE . 1.6 pp -107.48 179.5 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 10.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.1 m -177.37 179.5 0.95 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 10.0 109.982 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.429 HD23 ' CG1' ' A' ' 113' ' ' ILE . 0.4 OUTLIER -93.89 38.03 1.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 10.0 109.258 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 111' ' ' SER . 0.4 OUTLIER -122.43 148.74 44.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 10.0 109.999 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.596 ' O ' ' CB ' ' A' ' 109' ' ' ASP . . . -46.29 147.62 2.62 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.531 1.144 . . . . 10.0 111.021 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.596 ' CB ' ' O ' ' A' ' 108' ' ' GLY . 18.6 t0 89.98 -37.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 0.768 . . . . 10.0 109.329 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 57.3 m80 -124.51 3.09 8.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 10.0 109.617 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 107' ' ' SER . 79.2 p -38.13 114.16 0.34 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 10.0 109.984 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.475 ' CG2' ' HB ' ' A' ' 104' ' ' ILE . 34.9 pt -95.22 -32.03 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 10.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.429 ' CG1' HD23 ' A' ' 106' ' ' LEU . 31.0 mm -41.82 117.21 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.1 . . . . 10.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 116.6 27.82 2.7 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.451 1.095 . . . . 10.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.495 ' O ' ' CD1' ' A' ' 149' ' ' ILE . 5.5 mmt180 -86.8 66.77 9.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 0.737 . . . . 10.0 110.302 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 55.3 m -41.94 94.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.441 1.088 . . . . 10.0 110.351 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.468 ' N ' ' O ' ' A' ' 115' ' ' ARG . 0.2 OUTLIER -70.4 111.54 6.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 10.0 109.293 179.952 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 7.6 p -138.15 117.28 14.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 10.0 109.28 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 5.4 m -67.82 145.4 13.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 10.0 109.323 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . 0.611 ' NE2' ' CE1' ' A' ' 48' ' ' HIS . 0.4 OUTLIER -84.48 137.54 33.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 10.0 109.549 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -43.95 -35.88 2.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 10.0 110.255 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 7.9 tttt -164.42 145.19 8.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 10.0 109.284 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.434 ' HB2' ' CA ' ' A' ' 43' ' ' HIS . . . -73.56 -175.89 2.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 10.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.402 ' CG ' ' O ' ' A' ' 124' ' ' ASP . 34.8 t0 -93.09 24.98 3.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 10.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 50.68 34.22 9.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 10.0 109.28 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 17.9 mt 57.12 19.8 5.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 10.0 109.333 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 121.73 115.49 2.35 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.519 1.137 . . . . 10.0 111.01 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 2.4 pttp -110.49 -29.73 7.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 0.768 . . . . 10.0 109.33 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 130.4 -52.3 0.83 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.508 1.13 . . . . 10.0 110.973 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -38.27 152.36 0.03 OUTLIER Glycine 0 CA--C 1.529 0.964 0 N-CA-C 111.003 -0.839 . . . . 10.0 111.003 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . 0.498 ' O ' ' CB ' ' A' ' 132' ' ' GLU . 84.8 m-20 -133.02 130.85 39.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 0.768 . . . . 10.0 109.29 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . 0.498 ' CB ' ' O ' ' A' ' 131' ' ' ASN . 0.0 OUTLIER 86.35 18.78 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 10.0 110.294 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -139.97 -72.56 0.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 10.0 110.3 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 83.9 p -82.52 -15.87 50.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 10.0 110.01 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 17.3 p -68.71 -21.0 64.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 10.0 110.381 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -109.07 -32.9 7.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 10.0 109.259 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' THR . . . . . 0.401 ' OG1' ' N ' ' A' ' 138' ' ' GLY . 81.6 p -121.94 -99.75 0.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 10.0 110.383 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . 0.401 ' N ' ' OG1' ' A' ' 137' ' ' THR . . . 174.58 38.98 0.04 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.52 1.138 . . . . 10.0 110.98 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 50.21 25.43 1.79 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 0.76 . . . . 10.0 109.356 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 141' ' ' GLY . . . -120.77 -57.98 1.85 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.486 1.116 . . . . 10.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 140' ' ' ALA . . . 36.79 91.97 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.477 1.111 . . . . 10.0 110.971 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -167.81 114.91 0.73 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 0.773 . . . . 10.0 109.976 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.4 mpt_? -84.19 141.36 31.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.097 . . . . 10.0 110.287 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.4 mp -125.64 -59.24 1.37 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 10.0 109.266 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -110.74 170.51 8.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 10.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -155.87 69.95 0.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.578 1.174 . . . . 10.0 108.281 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . 0.478 ' CA ' ' HA ' ' A' ' 8' ' ' LEU . . . -49.55 -48.91 34.4 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.51 1.131 . . . . 10.0 110.968 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 3.6 t 65.12 126.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.476 0.75 . . . . 10.0 109.312 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 149' ' ' ILE . . . . . 0.575 HG12 ' CE1' ' A' ' 20' ' ' PHE . 2.1 mp -89.22 118.7 35.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 10.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -132.45 127.53 4.89 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.558 1.161 . . . . 10.0 111.005 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 20.2 mm -42.33 143.34 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.522 0.777 . . . . 10.0 109.306 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . 0.41 ' CB ' HG22 ' A' ' 5' ' ' VAL . . . -142.56 164.58 29.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 10.0 109.301 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 10.0 110.298 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.435 HG23 ' CD1' ' A' ' 151' ' ' ILE . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.394 -0.225 . . . . 10.0 110.394 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -108.98 106.72 16.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.113 . . . . 10.0 109.247 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . 0.479 ' CB ' ' HB2' ' A' ' 20' ' ' PHE . . . -87.32 150.73 23.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 10.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.0 t -129.18 150.49 34.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 10.0 109.287 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 18' ' ' ILE . . . -153.37 88.89 1.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 10.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 6.2 p -84.12 101.8 9.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 10.0 109.271 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.482 HD23 ' CG2' ' A' ' 18' ' ' ILE . 0.8 OUTLIER -51.05 133.54 27.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 10.0 109.332 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -159.04 130.58 6.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 10.0 109.309 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 11' ' ' ASP . . . 177.88 -101.03 0.15 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.546 1.154 . . . . 10.0 110.951 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 10' ' ' GLY . 26.9 t0 -38.16 -51.82 1.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 0.758 . . . . 10.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.468 ' N ' ' CD ' ' A' ' 13' ' ' PRO . . . 146.23 -53.02 0.56 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.467 1.104 . . . . 10.0 111.018 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.481 ' O ' ' N ' ' A' ' 15' ' ' GLN . 18.3 Cg_endo -75.01 -41.34 0.67 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.532 1.806 . . . . 10.0 111.02 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 55.6 t -62.3 79.15 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 10.0 109.31 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.481 ' N ' ' O ' ' A' ' 13' ' ' PRO . 0.0 OUTLIER -108.73 37.72 2.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 10.0 110.275 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.478 ' N ' ' HB2' ' A' ' 8' ' ' LEU . . . -56.37 164.65 5.15 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.556 1.16 . . . . 10.0 111.012 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.412 HG13 ' O ' ' A' ' 16' ' ' GLY . 39.4 mt -141.67 102.98 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.433 0.725 . . . . 10.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.482 ' CG2' HD23 ' A' ' 8' ' ' LEU . 0.1 OUTLIER -109.13 129.61 63.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.12 . . . . 10.0 109.27 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.428 ' N ' HD11 ' A' ' 18' ' ' ILE . 0.1 OUTLIER -125.26 141.53 52.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.145 . . . . 10.0 109.29 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.494 ' CD2' HD12 ' A' ' 112' ' ' ILE . 12.0 m-85 -113.22 111.88 22.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 10.0 110.968 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 30' ' ' LYS . 22.5 tt0 -110.71 139.77 45.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 10.0 110.305 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 37.6 tt0 -139.98 80.09 1.75 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 10.0 110.324 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -73.62 58.36 0.6 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 10.0 109.325 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.481 ' O ' ' CB ' ' A' ' 25' ' ' SER . 0.2 OUTLIER -155.88 -48.0 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 10.0 110.302 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.481 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 1.1 t 83.39 -8.56 1.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 10.0 109.997 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -159.83 27.32 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 10.0 109.307 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -129.93 -154.96 8.24 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.486 1.117 . . . . 10.0 110.972 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 136.68 20.74 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.482 1.78 . . . . 10.0 111.018 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 97.4 t -91.61 114.36 28.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 10.0 109.284 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 21' ' ' GLU . 4.8 mttm -72.0 93.82 1.42 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 10.0 109.278 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.491 HG12 ' CZ ' ' A' ' 20' ' ' PHE . 25.0 t -88.85 130.1 38.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 10.0 109.305 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -159.51 148.65 18.11 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.012 -1.107 . . . . 10.0 108.012 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.41 ' O ' ' HA ' ' A' ' 96' ' ' ASP . . . -164.69 -172.44 32.16 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.493 1.121 . . . . 10.0 110.967 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.7 p -156.9 121.45 4.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 0.755 . . . . 10.0 110.057 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.528 ' O ' ' CG1' ' A' ' 94' ' ' VAL . 0.6 OUTLIER -90.71 165.82 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 10.0 109.342 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.477 ' N ' ' CG2' ' A' ' 35' ' ' ILE . 53.2 mttt -149.38 115.36 5.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 10.0 109.258 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.523 ' O ' ' N ' ' A' ' 39' ' ' THR . . . 127.0 -48.22 0.98 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.522 1.139 . . . . 10.0 110.974 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.58 ' CD2' ' CG ' ' A' ' 43' ' ' HIS . 1.1 mp -58.09 81.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 0.774 . . . . 10.0 109.361 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.523 ' N ' ' O ' ' A' ' 37' ' ' GLY . 71.9 p -37.67 153.96 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 10.0 110.429 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.468 ' HA ' ' CB ' ' A' ' 89' ' ' ALA . 6.6 pt-20 -44.02 125.45 4.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 10.0 110.317 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.447 ' O ' ' CD2' ' A' ' 43' ' ' HIS . . . 141.25 170.97 12.45 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.451 1.094 . . . . 10.0 111.006 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 8.0 mp -72.1 155.66 40.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 0.753 . . . . 10.0 109.31 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.58 ' CG ' ' CD2' ' A' ' 38' ' ' LEU . 81.5 m-70 -154.47 75.05 0.98 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 10.0 109.631 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 43' ' ' HIS . . . 32.96 -138.3 0.11 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.467 1.104 . . . . 10.0 110.983 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.648 ' CE1' ' NE2' ' A' ' 46' ' ' HIS . 33.0 t80 -150.42 174.02 13.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 0.749 . . . . 10.0 110.973 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.648 ' NE2' ' CE1' ' A' ' 45' ' ' PHE . 0.1 OUTLIER -94.94 174.46 7.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 10.0 109.586 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 4.2 t 74.81 60.37 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 10.0 109.265 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.554 ' CE1' HG13 ' A' ' 118' ' ' VAL . 19.0 p-80 . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.536 1.148 . . . . 10.0 109.559 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.408 ' O ' ' CB ' ' A' ' 83' ' ' ASP . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.037 -0.825 . . . . 10.0 111.037 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.463 ' O ' ' CD2' ' A' ' 84' ' ' LEU . 12.1 t0 75.45 83.91 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 0.755 . . . . 10.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.576 ' HB2' ' CZ ' ' A' ' 45' ' ' PHE . 0.1 OUTLIER 175.28 -80.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 10.0 109.308 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 156.0 -119.98 0.96 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.458 1.099 . . . . 10.0 111.02 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.405 ' ND2' ' OD2' ' A' ' 124' ' ' ASP . 66.3 m-20 -135.88 134.63 38.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.764 . . . . 10.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 34.8 m -86.33 151.53 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 10.0 109.282 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -134.8 148.29 50.16 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 10.0 110.368 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.468 ' CB ' ' HA ' ' A' ' 40' ' ' GLU . . . -85.15 173.56 10.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 10.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.424 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 8.5 t0 -88.39 -98.08 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 10.0 109.279 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.424 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 29.0 pttt -137.61 11.69 2.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 10.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -137.72 13.56 2.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 10.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.475 ' HA2' ' O ' ' A' ' 38' ' ' LEU . . . 84.64 -6.58 77.09 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.485 1.116 . . . . 10.0 111.009 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.528 ' CG1' ' O ' ' A' ' 35' ' ' ILE . 96.7 t -79.1 136.19 24.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.503 0.766 . . . . 10.0 109.352 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -124.94 117.58 24.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 10.0 109.317 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.41 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 1.5 p-10 -102.04 152.22 21.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 10.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.412 HG13 ' N ' ' A' ' 98' ' ' SER . 46.5 t -127.32 159.43 37.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 10.0 109.344 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.412 ' N ' HG13 ' A' ' 97' ' ' VAL . 51.0 p -169.31 92.68 0.26 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 10.0 109.994 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 32.2 mt -136.57 158.88 37.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 10.0 109.281 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.415 ' CG ' ' O ' ' A' ' 100' ' ' GLU . 1.5 pt-20 -126.56 96.03 4.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 10.0 110.321 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -92.82 131.95 37.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 10.0 109.33 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 15.2 p -113.03 -47.06 3.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 10.0 109.981 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 85.6 t -44.92 -52.73 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 10.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.514 ' C ' ' CD1' ' A' ' 104' ' ' ILE . 1.7 pp -68.94 177.11 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 10.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.05 158.08 41.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 10.0 110.002 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -76.93 -28.44 55.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 10.0 109.258 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.68 158.8 40.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 10.0 110.018 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 124.98 -82.87 0.35 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.476 1.11 . . . . 10.0 110.985 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -135.85 -49.96 0.7 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 0.744 . . . . 10.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 32.4 m80 -92.62 36.59 1.01 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.1 . . . . 10.0 109.585 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 46.3 t -48.97 117.3 2.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 10.0 109.995 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.494 HD12 ' CD2' ' A' ' 20' ' ' PHE . 13.3 pt -85.24 -24.44 6.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 10.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 8.1 mt -49.33 132.88 7.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 10.0 109.275 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 102.22 22.91 9.43 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.502 1.126 . . . . 10.0 110.977 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 117' ' ' LEU . 22.6 mtt180 -84.02 79.69 9.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 0.747 . . . . 10.0 110.312 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.515 ' CG2' HG22 ' A' ' 148' ' ' VAL . 15.1 m -54.15 89.12 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 10.0 110.432 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 115' ' ' ARG . 0.0 OUTLIER -61.35 112.94 2.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 10.0 109.318 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.554 HG13 ' CE1' ' A' ' 48' ' ' HIS . 8.0 p -144.22 107.75 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 10.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.487 ' CG2' HD21 ' A' ' 38' ' ' LEU . 29.5 m -70.99 178.6 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 10.0 109.332 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . 0.472 ' CD2' ' CE1' ' A' ' 48' ' ' HIS . 10.4 m170 -98.98 161.25 13.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 10.0 109.629 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.4 ' CB ' ' HB2' ' A' ' 142' ' ' SER . 3.8 tt0 -94.83 26.76 3.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 10.0 110.293 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 179.79 157.79 0.67 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 10.0 109.31 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -81.13 178.93 8.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 10.0 109.335 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.405 ' OD2' ' ND2' ' A' ' 86' ' ' ASN . 4.3 m-20 -116.75 90.75 3.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 10.0 109.3 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.52 -20.84 14.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 10.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 7.7 mt 58.29 19.32 6.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 10.0 109.278 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 172.7 76.72 0.05 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.497 1.123 . . . . 10.0 111.003 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 11.4 mttm -94.47 -24.01 17.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 0.779 . . . . 10.0 109.279 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 127.02 -38.13 2.23 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.512 1.132 . . . . 10.0 111.017 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -68.34 -169.63 5.39 Favored Glycine 0 CA--C 1.531 1.047 0 N-CA-C 110.994 -0.842 . . . . 10.0 110.994 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . 0.417 ' HA ' ' CG2' ' A' ' 135' ' ' THR . 1.1 m-80 -152.93 144.22 23.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 0.775 . . . . 10.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 73.98 29.71 1.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 10.0 110.304 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -154.37 -62.2 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 10.0 110.28 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 90.5 p -87.67 -12.2 46.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 10.0 110.007 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' THR . . . . . 0.417 ' CG2' ' HA ' ' A' ' 131' ' ' ASN . 12.4 p -78.98 -17.82 54.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 10.0 110.42 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.77 -31.86 7.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 10.0 109.313 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' THR . . . . . 0.429 ' OG1' ' N ' ' A' ' 138' ' ' GLY . 59.2 p -138.71 -102.58 0.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 10.0 110.402 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . 0.429 ' N ' ' OG1' ' A' ' 137' ' ' THR . . . -160.69 28.07 0.31 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.482 1.113 . . . . 10.0 110.965 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 50.25 40.86 23.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 0.754 . . . . 10.0 109.319 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 141' ' ' GLY . . . -127.24 -61.96 1.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 10.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 140' ' ' ALA . . . 36.78 88.96 0.01 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.455 1.097 . . . . 10.0 111.001 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' SER . . . . . 0.4 ' HB2' ' CB ' ' A' ' 121' ' ' GLU . 4.5 m -154.06 109.82 3.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 0.742 . . . . 10.0 109.983 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 15.3 mtp180 -61.91 172.05 1.47 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 10.0 110.336 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 2.6 mp -146.99 -71.55 0.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 10.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -121.7 167.38 13.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 10.0 109.344 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 146' ' ' CYS . . . . . 0.469 ' HB2' ' CG2' ' A' ' 116' ' ' THR . 0.6 OUTLIER -144.44 69.28 1.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 10.0 108.302 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . 0.411 ' O ' ' HB ' ' A' ' 148' ' ' VAL . . . -46.96 -51.76 12.97 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.485 1.115 . . . . 10.0 111.014 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . 0.515 HG22 ' CG2' ' A' ' 116' ' ' THR . 3.8 t 65.91 138.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 0.779 . . . . 10.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 149' ' ' ILE . . . . . 0.463 HG22 ' CB ' ' A' ' 4' ' ' ALA . 2.5 mp -91.42 130.13 41.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 10.0 109.261 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -139.18 129.08 4.26 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.508 1.13 . . . . 10.0 111.034 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . 0.435 ' CD1' HG23 ' A' ' 2' ' ' THR . 23.1 mm -47.93 139.02 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.559 0.799 . . . . 10.0 109.273 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -141.28 171.36 14.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 10.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 10.0 110.296 -179.985 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.604 ' CG2' ' CD1' ' A' ' 151' ' ' ILE . 27.9 m . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.37 -0.233 . . . . 10.0 110.37 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.462 ' CG ' ' O ' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -84.68 120.86 26.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 10.0 109.313 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -107.01 164.33 12.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 10.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.539 ' CG2' ' CB ' ' A' ' 152' ' ' ALA . 17.6 t -132.79 166.54 29.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 10.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.474 ' CB ' HG13 ' A' ' 149' ' ' ILE . . . -156.64 95.82 1.58 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 10.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.435 ' CG1' ' O ' ' A' ' 7' ' ' VAL . 10.9 p -81.07 89.68 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 10.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.477 HD13 ' CB ' ' A' ' 145' ' ' ALA . 2.3 mm? -37.9 151.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 10.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 50.5 tttt -178.97 130.43 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 10.0 109.27 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -171.25 -104.07 0.17 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.507 1.129 . . . . 10.0 111.013 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.482 ' HB2' ' CD2' ' A' ' 144' ' ' LEU . 35.2 t0 -44.99 -68.06 0.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 0.769 . . . . 10.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.465 ' N ' ' CD ' ' A' ' 13' ' ' PRO . . . 163.0 -53.05 0.3 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.485 1.115 . . . . 10.0 110.983 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.465 ' CD ' ' N ' ' A' ' 12' ' ' GLY . 18.3 Cg_endo -74.98 -13.4 21.46 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.525 1.802 . . . . 10.0 110.995 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.464 ' CG2' HD11 ' A' ' 38' ' ' LEU . 0.5 OUTLIER -96.65 116.55 39.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 10.0 109.285 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -147.37 62.03 1.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 10.0 110.318 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.476 ' CA ' ' HA ' ' A' ' 35' ' ' ILE . . . -60.28 175.31 4.38 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.51 1.131 . . . . 10.0 110.974 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 53.7 mt -141.75 95.6 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.495 0.762 . . . . 10.0 109.288 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.507 ' CD1' ' N ' ' A' ' 19' ' ' ASN . 0.1 OUTLIER -107.77 136.5 42.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 10.0 109.272 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.507 ' N ' ' CD1' ' A' ' 18' ' ' ILE . 0.1 OUTLIER -130.92 147.31 52.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 10.0 109.308 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.664 ' CE1' ' CG1' ' A' ' 31' ' ' VAL . 2.8 m-85 -113.82 144.59 42.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.44 1.088 . . . . 10.0 111.009 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -140.25 143.34 35.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 10.0 110.292 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.403 ' OE1' ' C ' ' A' ' 28' ' ' PRO . 4.4 tp60 -153.67 70.15 0.83 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 10.0 110.313 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -83.93 48.8 1.51 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 10.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.42 ' HB3' ' N ' ' A' ' 27' ' ' GLY . 10.9 mm-40 -155.78 142.63 18.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 10.0 110.321 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.8 m -81.68 -11.89 58.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 10.0 109.964 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -155.51 35.95 0.37 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 10.0 109.281 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.42 ' N ' ' HB3' ' A' ' 24' ' ' GLU . . . -113.9 171.26 13.7 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.48 1.112 . . . . 10.0 110.973 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.403 ' C ' ' OE1' ' A' ' 22' ' ' GLN . 18.3 Cg_endo -74.96 147.89 34.72 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.53 1.805 . . . . 10.0 111.017 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 38.6 t -84.96 92.52 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 10.0 109.272 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.463 ' O ' ' CZ3' ' A' ' 32' ' ' TRP . 26.6 mttt -53.72 98.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 10.0 109.312 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.664 ' CG1' ' CE1' ' A' ' 20' ' ' PHE . 59.1 t -103.01 124.57 57.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 10.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.463 ' CZ3' ' O ' ' A' ' 30' ' ' LYS . 33.1 p90 -148.76 141.37 24.44 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.999 -1.111 . . . . 10.0 107.999 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -153.78 -174.65 24.21 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.454 1.096 . . . . 10.0 110.993 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.7 t -155.57 120.88 4.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 0.77 . . . . 10.0 109.973 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.539 ' O ' ' HA ' ' A' ' 94' ' ' VAL . 0.5 OUTLIER -84.01 160.51 3.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 10.0 109.318 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.523 ' CG ' ' O ' ' A' ' 35' ' ' ILE . 49.9 mttt -156.77 103.61 2.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 10.0 109.283 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.431 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 161.56 -56.82 0.31 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.473 1.108 . . . . 10.0 110.994 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.528 HD12 ' CG2' ' A' ' 35' ' ' ILE . 1.1 mp -57.96 -156.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 0.742 . . . . 10.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.41 ' CA ' ' CA ' ' A' ' 93' ' ' GLY . 50.2 p -149.93 154.07 37.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 10.0 110.422 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -40.37 115.75 0.59 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 10.0 110.314 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.402 ' C ' HD12 ' A' ' 42' ' ' LEU . . . 160.02 -148.91 18.01 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.474 1.109 . . . . 10.0 111.011 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.454 ' O ' ' ND1' ' A' ' 43' ' ' HIS . 0.4 OUTLIER -104.93 166.67 10.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 0.765 . . . . 10.0 109.31 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.454 ' ND1' ' O ' ' A' ' 42' ' ' LEU . 34.4 m-70 -141.85 161.69 37.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 10.0 109.624 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.49 ' HA3' ' CG ' ' A' ' 120' ' ' HIS . . . -52.43 -99.51 0.01 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.471 1.107 . . . . 10.0 111.041 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.459 ' O ' ' NH2' ' A' ' 143' ' ' ARG . 24.0 t80 177.42 156.14 0.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 0.79 . . . . 10.0 110.967 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.569 ' CE1' HG21 ' A' ' 87' ' ' VAL . 0.0 OUTLIER -87.43 176.09 7.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 10.0 109.639 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.402 ' HB ' ' O ' ' A' ' 46' ' ' HIS . 11.5 t 74.21 129.21 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 10.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.443 ' O ' ' CG ' ' A' ' 48' ' ' HIS . 2.6 p-80 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 10.0 109.618 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.99 -0.844 . . . . 10.0 110.99 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.444 ' O ' ' CB ' ' A' ' 84' ' ' LEU . 4.2 m-20 62.68 -160.23 0.31 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 0.769 . . . . 10.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.444 ' CB ' ' O ' ' A' ' 83' ' ' ASP . 0.9 OUTLIER 83.42 -63.72 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.44 1.088 . . . . 10.0 109.321 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 110.06 -124.98 7.35 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.492 1.12 . . . . 10.0 110.994 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -100.46 174.24 6.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 0.781 . . . . 10.0 109.342 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.569 HG21 ' CE1' ' A' ' 46' ' ' HIS . 2.2 t -116.61 158.81 16.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 10.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 12.3 m -121.42 146.42 46.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 10.0 110.416 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.475 ' HB3' ' CA ' ' A' ' 93' ' ' GLY . . . -100.55 174.8 5.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 10.0 109.338 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.453 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 7.9 t0 -80.06 -96.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 10.0 109.325 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.453 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 51.4 pttt -137.3 12.08 3.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 10.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -159.58 28.17 0.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 10.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.475 ' CA ' ' HB3' ' A' ' 89' ' ' ALA . . . 93.13 -40.77 2.77 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.502 1.126 . . . . 10.0 111.007 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.539 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 46.9 t -39.88 112.23 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.477 0.751 . . . . 10.0 109.337 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -112.74 117.16 31.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 10.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -102.67 149.26 24.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 10.0 109.302 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.47 ' CG1' HD11 ' A' ' 99' ' ' ILE . 18.4 t -131.08 156.13 42.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 10.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.412 ' N ' HG12 ' A' ' 97' ' ' VAL . 12.9 t -174.0 96.11 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 10.0 109.978 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.47 HD11 ' CG1' ' A' ' 97' ' ' VAL . 2.0 mp -131.57 165.83 30.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 10.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -130.24 90.8 3.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 10.0 110.29 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -96.87 125.86 41.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 10.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.86 -29.31 11.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 10.0 109.956 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 60.0 t -57.79 -50.42 77.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 10.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.477 ' C ' ' CD1' ' A' ' 104' ' ' ILE . 1.8 pp -77.29 169.18 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 10.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' SER . . . . . 0.42 ' N ' HD11 ' A' ' 104' ' ' ILE . 0.2 OUTLIER 175.18 170.29 0.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 10.0 109.993 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.26 54.03 2.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 10.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -107.57 167.62 9.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 10.0 110.048 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -79.69 52.93 4.24 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.483 1.115 . . . . 10.0 110.984 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -169.6 -51.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 0.782 . . . . 10.0 109.284 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . 0.403 ' O ' ' C ' ' A' ' 111' ' ' SER . 6.0 m80 -110.89 24.35 13.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 10.0 109.557 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 110' ' ' HIS . 54.9 p -38.97 136.57 0.77 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 10.0 110.014 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.445 ' CG2' ' HB ' ' A' ' 104' ' ' ILE . 28.5 pt -104.29 -34.48 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 10.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 8.2 mt -44.77 123.25 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 10.0 109.331 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 115.69 6.04 17.59 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.507 1.13 . . . . 10.0 111.053 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.407 ' O ' ' CD1' ' A' ' 149' ' ' ILE . 2.2 mtt180 -96.04 71.32 2.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 0.797 . . . . 10.0 110.319 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.554 ' HG1' ' N ' ' A' ' 147' ' ' GLY . 2.0 t -61.93 141.95 57.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 10.0 110.395 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -88.17 79.44 7.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.128 . . . . 10.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.461 ' CG1' ' HB3' ' A' ' 143' ' ' ARG . 2.6 t -78.21 144.44 11.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 10.0 109.314 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 33.9 m -141.45 130.79 24.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 10.0 109.312 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . 0.49 ' CG ' ' HA3' ' A' ' 44' ' ' GLY . 8.6 m170 -84.94 157.36 20.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 10.0 109.586 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.4 ' HG3' ' CD1' ' A' ' 144' ' ' LEU . 3.5 tt0 -49.98 -45.07 51.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 10.0 110.311 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -149.04 156.91 42.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.15 . . . . 10.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -63.82 -165.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 10.0 109.279 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.517 ' O ' ' CB ' ' A' ' 125' ' ' ASP . 3.5 t0 -111.08 -83.43 0.57 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 10.0 109.345 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . 0.517 ' CB ' ' O ' ' A' ' 124' ' ' ASP . 3.0 m-20 154.4 44.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 10.0 109.273 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 54.1 mt 42.1 27.66 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 10.0 109.293 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . 0.441 ' N ' ' C ' ' A' ' 125' ' ' ASP . . . 103.16 126.25 5.82 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.541 1.15 . . . . 10.0 110.99 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 4.2 pttt -102.88 -26.99 12.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 0.794 . . . . 10.0 109.328 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 120.5 -51.48 0.77 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.518 1.136 . . . . 10.0 110.984 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -50.56 -178.58 0.02 OUTLIER Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.992 -0.843 . . . . 10.0 110.992 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . 0.492 ' O ' ' CB ' ' A' ' 132' ' ' GLU . 39.3 m-20 -149.18 147.4 28.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 0.751 . . . . 10.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . 0.492 ' CB ' ' O ' ' A' ' 131' ' ' ASN . 16.3 tt0 85.07 30.38 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 10.0 110.29 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -164.89 -54.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 10.0 110.239 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 2.0 p -93.25 -23.51 18.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 10.0 109.969 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 56.1 p -78.43 -10.09 59.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 10.0 110.416 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -110.9 -37.82 5.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 10.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 58.5 p -130.78 -98.58 0.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 10.0 110.433 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . 0.447 ' C ' ' N ' ' A' ' 140' ' ' ALA . . . -167.55 29.51 0.17 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.469 1.105 . . . . 10.0 111.027 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' ASN . . . . . 0.433 ' O ' ' ND2' ' A' ' 139' ' ' ASN . 30.9 t30 39.18 31.4 0.05 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 0.799 . . . . 10.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . 0.447 ' N ' ' C ' ' A' ' 138' ' ' GLY . . . -128.55 -56.66 1.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 10.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -154.87 -126.19 1.01 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.478 1.111 . . . . 10.0 111.027 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 30.5 t 177.08 172.66 0.48 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 0.768 . . . . 10.0 109.989 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . 0.461 ' HB3' ' CG1' ' A' ' 118' ' ' VAL . 0.0 OUTLIER -39.13 133.64 1.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 10.0 110.285 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . 0.482 ' CD2' ' HB2' ' A' ' 11' ' ' ASP . 20.5 mt -145.29 33.24 1.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 10.0 109.267 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . 0.477 ' CB ' HD13 ' A' ' 8' ' ' LEU . . . -173.87 159.41 3.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 10.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 3.5 m -155.58 66.31 0.62 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 10.0 108.27 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . 0.554 ' N ' ' HG1' ' A' ' 116' ' ' THR . . . -75.55 63.52 2.64 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.518 1.136 . . . . 10.0 111.055 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . 0.505 ' CG2' ' HB ' ' A' ' 116' ' ' THR . 28.0 t -54.02 130.58 15.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.475 0.75 . . . . 10.0 109.283 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 149' ' ' ILE . . . . . 0.582 HG12 ' CE1' ' A' ' 20' ' ' PHE . 1.8 mp -90.86 106.02 17.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 10.0 109.257 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -125.86 156.71 19.62 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.518 1.136 . . . . 10.0 111.026 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . 0.604 ' CD1' ' CG2' ' A' ' 2' ' ' THR . 6.9 mm -42.91 150.68 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 0.778 . . . . 10.0 109.263 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . 0.539 ' CB ' ' CG2' ' A' ' 5' ' ' VAL . . . -154.57 163.61 39.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 10.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 10.0 110.273 -179.964 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.458 ' CG2' HD13 ' A' ' 151' ' ' ILE . 1.9 m . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.38 -0.23 . . . . 10.0 110.38 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -86.48 145.7 26.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 10.0 109.323 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 20' ' ' PHE . . . -128.28 167.3 17.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 10.0 109.253 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.9 t -139.84 153.13 22.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 10.0 109.351 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.442 ' CB ' HD11 ' A' ' 149' ' ' ILE . . . -155.8 83.85 1.02 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 10.0 109.28 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.471 ' CG2' ' O ' ' A' ' 7' ' ' VAL . 5.1 m -85.34 104.6 13.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 10.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.458 ' HA ' ' CA ' ' A' ' 147' ' ' GLY . 2.0 mt -49.75 131.76 21.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 10.0 109.331 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.418 ' N ' ' HB3' ' A' ' 145' ' ' ALA . 2.2 ttmt -164.85 110.24 0.95 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 10.0 109.312 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -172.02 -79.26 0.05 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.477 1.111 . . . . 10.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -43.61 -57.69 3.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 0.746 . . . . 10.0 109.29 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 153.42 -64.97 0.34 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.533 1.146 . . . . 10.0 110.983 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.446 ' O ' ' N ' ' A' ' 15' ' ' GLN . 18.4 Cg_endo -75.02 -45.46 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.551 1.816 . . . . 10.0 111.004 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.416 ' CG1' ' HB2' ' A' ' 145' ' ' ALA . 94.3 t -55.72 89.34 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 10.0 109.258 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 13' ' ' PRO . 1.3 tt0 -117.5 44.03 2.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 10.0 110.315 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.442 ' HA3' ' HA ' ' A' ' 35' ' ' ILE . . . -58.17 162.77 9.51 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.474 1.109 . . . . 10.0 110.979 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 49.4 mt -137.75 95.43 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.537 0.787 . . . . 10.0 109.274 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.445 ' HA ' ' CA ' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -111.05 154.04 12.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 10.0 109.312 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -135.81 173.07 12.12 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 10.0 109.342 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.574 ' CE2' HD13 ' A' ' 112' ' ' ILE . 2.5 m-85 -140.58 114.56 9.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 10.0 110.989 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 30' ' ' LYS . 21.9 tt0 -116.9 143.09 46.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 10.0 110.271 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -138.94 93.78 2.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 10.0 110.294 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.47 52.99 2.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 10.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.512 ' O ' ' CB ' ' A' ' 25' ' ' SER . 1.0 OUTLIER -153.96 -45.78 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.155 . . . . 10.0 110.325 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.512 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 1.0 OUTLIER 85.74 -13.38 0.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 10.0 110.004 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -157.48 25.36 0.29 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 10.0 109.306 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -127.05 -146.77 6.55 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.537 1.148 . . . . 10.0 110.957 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 156.37 43.15 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.48 1.779 . . . . 10.0 110.977 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.445 HG11 ' CD2' ' A' ' 20' ' ' PHE . 93.7 t -115.02 119.88 63.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 10.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 21' ' ' GLU . 3.6 mttt -74.41 94.84 2.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.581 1.176 . . . . 10.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.54 HG12 ' CZ ' ' A' ' 20' ' ' PHE . 25.5 t -89.87 133.88 30.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 10.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 1.4 p90 -165.36 140.6 5.12 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 10.0 108.025 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.445 ' CA ' ' HA ' ' A' ' 18' ' ' ILE . . . -160.76 -166.85 20.33 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.487 1.117 . . . . 10.0 110.993 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.8 m -157.72 120.71 3.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 0.764 . . . . 10.0 110.053 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.469 ' CG2' HD11 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -84.58 166.04 2.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 10.0 109.308 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.451 ' N ' ' CG2' ' A' ' 35' ' ' ILE . 4.1 mttm -156.51 107.82 2.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 10.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.443 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 146.44 -51.79 0.58 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.465 1.103 . . . . 10.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.551 ' HB3' ' CE1' ' A' ' 43' ' ' HIS . 3.1 mp -55.59 -163.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 0.783 . . . . 10.0 109.257 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.41 ' O ' ' C ' ' A' ' 40' ' ' GLU . 42.6 p -145.2 150.51 36.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 10.0 110.42 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.452 ' HA ' ' CB ' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -38.0 118.69 0.71 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 10.0 110.311 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 153.05 177.96 27.15 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.476 1.11 . . . . 10.0 111.014 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.0 mp -81.59 135.12 35.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 0.749 . . . . 10.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.551 ' CE1' ' HB3' ' A' ' 38' ' ' LEU . 59.8 m-70 -111.59 169.31 8.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 10.0 109.576 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.572 ' HA3' ' CD2' ' A' ' 120' ' ' HIS . . . -74.78 179.31 44.51 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.477 1.111 . . . . 10.0 111.042 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.591 ' CE1' ' OD1' ' A' ' 86' ' ' ASN . 16.7 m-85 -85.12 153.58 22.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 0.79 . . . . 10.0 110.979 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.408 ' HB2' ' O ' ' A' ' 116' ' ' THR . 4.3 p80 -76.42 175.5 9.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 10.0 109.596 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 6.1 t 73.98 134.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 10.0 109.27 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 39.4 p-80 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 10.0 109.589 -179.968 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.412 ' O ' ' O ' ' A' ' 83' ' ' ASP . . . . . . . . 0 CA--C 1.529 0.957 0 N-CA-C 111.033 -0.827 . . . . 10.0 111.033 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.412 ' O ' ' O ' ' A' ' 82' ' ' GLY . 1.9 m-20 -48.59 176.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 0.763 . . . . 10.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -141.68 -64.19 0.44 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 10.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.505 ' HA2' ' CE2' ' A' ' 45' ' ' PHE . . . -176.99 -169.4 38.19 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.556 1.16 . . . . 10.0 110.97 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.591 ' OD1' ' CE1' ' A' ' 45' ' ' PHE . 1.7 m-20 -84.95 123.79 30.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 0.788 . . . . 10.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.462 ' CG2' ' HB2' ' A' ' 43' ' ' HIS . 12.4 m -97.49 118.48 44.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 10.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 15.0 m -96.15 154.96 16.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 10.0 110.402 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.468 ' CB ' ' HA2' ' A' ' 93' ' ' GLY . . . -85.28 168.05 15.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 10.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.453 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 12.0 t0 -77.74 -96.86 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.496 1.123 . . . . 10.0 109.253 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.453 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 1.7 ptpt -134.71 8.87 3.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 10.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -159.45 26.74 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.571 1.17 . . . . 10.0 109.269 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.468 ' HA2' ' CB ' ' A' ' 89' ' ' ALA . . . 98.31 -44.62 1.75 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.506 1.129 . . . . 10.0 110.978 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.444 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 21.6 t -39.6 99.44 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.47 0.747 . . . . 10.0 109.296 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 93' ' ' GLY . . . -101.15 118.1 36.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 10.0 109.262 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -109.62 150.25 28.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 10.0 109.319 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.494 ' CG1' HD12 ' A' ' 99' ' ' ILE . 24.7 t -123.24 163.93 21.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 10.0 109.261 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 79.7 p -177.4 82.94 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 10.0 110.024 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.494 HD12 ' CG1' ' A' ' 97' ' ' VAL . 2.3 mp -134.98 168.06 24.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 10.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -129.76 95.89 4.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 10.0 110.279 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -85.72 118.25 25.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 10.0 109.262 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 21.6 t -102.05 61.91 0.88 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 10.0 110.033 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 50.4 t -153.41 -70.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 10.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.484 ' C ' ' CD1' ' A' ' 104' ' ' ILE . 1.9 pp -51.24 -179.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.158 . . . . 10.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' SER . . . . . 0.412 ' CB ' ' HB2' ' A' ' 109' ' ' ASP . 0.1 OUTLIER -167.43 153.86 8.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 10.0 109.987 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.456 ' CD1' HD12 ' A' ' 112' ' ' ILE . 3.5 mm? -62.26 -47.07 85.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 10.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 39.0 m -155.92 151.69 27.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 10.0 109.993 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 72.48 57.32 5.58 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.469 1.105 . . . . 10.0 110.973 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.412 ' HB2' ' CB ' ' A' ' 105' ' ' SER . 4.6 m-20 173.86 -92.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 0.737 . . . . 10.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . 0.517 ' CE1' HG22 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -117.37 -17.78 10.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 10.0 109.596 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.411 ' O ' ' O ' ' A' ' 110' ' ' HIS . 36.3 t 57.49 111.96 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.514 1.134 . . . . 10.0 110.034 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.574 HD13 ' CE2' ' A' ' 20' ' ' PHE . 6.9 pt -96.97 -37.29 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 10.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 5.0 mt -40.29 118.11 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 10.0 109.331 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 114.73 -7.28 22.14 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.498 1.124 . . . . 10.0 111.035 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.29 87.42 6.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 0.748 . . . . 10.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.5 ' HB ' ' CG2' ' A' ' 148' ' ' VAL . 0.3 OUTLIER -70.86 144.56 50.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 10.0 110.374 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.27 70.07 10.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 10.0 109.312 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 14.2 t -82.23 172.63 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 10.0 109.317 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.449 ' CG1' HG22 ' A' ' 87' ' ' VAL . 2.7 m -148.51 139.31 17.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 10.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . 0.572 ' CD2' ' HA3' ' A' ' 44' ' ' GLY . 8.3 m-70 -84.59 160.08 20.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 10.0 109.593 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -88.11 63.81 7.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 10.0 110.278 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.472 ' HB2' ' CB ' ' A' ' 140' ' ' ALA . 0.0 OUTLIER 171.5 169.89 0.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 10.0 109.31 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -70.02 -165.69 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 10.0 109.305 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.498 ' OD2' ' CD1' ' A' ' 45' ' ' PHE . 8.2 m-20 -142.02 97.0 3.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.103 . . . . 10.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . 0.433 ' O ' ' N ' ' A' ' 127' ' ' GLY . 6.5 m-20 -132.75 104.83 6.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 10.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 3.3 mt -69.58 54.25 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.142 . . . . 10.0 109.301 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 125' ' ' ASP . . . 171.96 77.72 0.05 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.471 1.107 . . . . 10.0 111.052 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 6.6 mttm -108.42 30.55 6.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 0.742 . . . . 10.0 109.308 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 84.25 -49.84 4.3 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.485 1.116 . . . . 10.0 110.982 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -65.36 -176.14 5.68 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.001 -0.84 . . . . 10.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -147.81 142.62 26.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 0.772 . . . . 10.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 73.65 27.67 1.74 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.098 . . . . 10.0 110.296 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.82 -60.99 0.5 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 10.0 110.32 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 49.5 p -90.4 -29.33 18.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 10.0 110.026 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 43.5 p -58.36 -16.43 14.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 10.0 110.387 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.5 -36.36 5.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 10.0 109.292 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' THR . . . . . 0.427 ' OG1' ' N ' ' A' ' 138' ' ' GLY . 80.6 p -130.32 -101.86 0.3 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 10.0 110.399 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . 0.427 ' N ' ' OG1' ' A' ' 137' ' ' THR . . . -169.06 30.28 0.16 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.538 1.149 . . . . 10.0 111.019 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 48.06 59.92 3.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 0.757 . . . . 10.0 109.335 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . 0.472 ' CB ' ' HB2' ' A' ' 122' ' ' LYS . . . -163.5 -62.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 10.0 109.352 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 140' ' ' ALA . . . 36.33 92.06 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.505 1.128 . . . . 10.0 110.96 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -149.81 70.93 1.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 0.745 . . . . 10.0 109.984 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 1.1 ptt-85 -47.13 157.12 0.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 10.0 110.311 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 62.6 mt -124.11 -86.56 0.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 10.0 109.313 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . 0.418 ' HB3' ' N ' ' A' ' 9' ' ' LYS . . . -95.84 174.47 6.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.42 1.075 . . . . 10.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 146' ' ' CYS . . . . . 0.412 ' HA ' ' OG1' ' A' ' 116' ' ' THR . 26.9 p -150.21 70.69 1.04 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 10.0 108.276 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . 0.458 ' CA ' ' HA ' ' A' ' 8' ' ' LEU . . . -48.89 -48.85 29.99 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.499 1.125 . . . . 10.0 110.988 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . 0.5 ' CG2' ' HB ' ' A' ' 116' ' ' THR . 53.1 t 66.09 125.56 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.486 0.756 . . . . 10.0 109.256 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 149' ' ' ILE . . . . . 0.553 HD12 ' CD1' ' A' ' 20' ' ' PHE . 24.0 mm -71.86 137.44 23.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 10.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -153.04 117.43 0.81 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.548 1.155 . . . . 10.0 110.996 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . 0.458 HD13 ' CG2' ' A' ' 2' ' ' THR . 19.1 mm -47.52 137.24 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 0.757 . . . . 10.0 109.312 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . 0.415 ' N ' HG23 ' A' ' 151' ' ' ILE . . . -127.7 175.02 8.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 10.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 10.0 110.314 179.978 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.495 ' CG2' HD11 ' A' ' 151' ' ' ILE . 28.4 m . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.381 -0.229 . . . . 10.0 110.381 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.495 ' O ' ' CB ' ' A' ' 152' ' ' ALA . 1.0 OUTLIER -106.84 109.15 20.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 10.0 109.309 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . 0.448 ' CB ' ' HB2' ' A' ' 20' ' ' PHE . . . -84.3 167.27 16.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 10.0 109.29 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -149.13 143.85 18.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 10.0 109.294 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.471 ' CB ' ' CG1' ' A' ' 18' ' ' ILE . . . -136.81 107.33 6.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 10.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.4 p -82.04 88.55 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 10.0 109.297 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.464 HD13 ' CB ' ' A' ' 145' ' ' ALA . 0.4 OUTLIER -44.3 144.87 0.9 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 10.0 109.267 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 179.78 120.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 10.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -165.1 -98.64 0.13 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.455 1.097 . . . . 10.0 111.014 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -42.56 -62.11 1.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 0.743 . . . . 10.0 109.306 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.48 ' N ' ' CD ' ' A' ' 13' ' ' PRO . . . 162.26 -52.1 0.32 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.498 1.124 . . . . 10.0 111.03 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.48 ' CD ' ' N ' ' A' ' 12' ' ' GLY . 18.2 Cg_endo -75.02 -40.9 0.75 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.479 1.779 . . . . 10.0 110.998 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.546 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 36.8 t -61.21 82.44 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 10.0 109.266 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 13' ' ' PRO . 0.1 OUTLIER -121.84 60.87 0.96 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.164 . . . . 10.0 110.302 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.458 ' C ' HG13 ' A' ' 17' ' ' ILE . . . -94.01 -178.45 39.03 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.481 1.113 . . . . 10.0 110.981 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.458 HG13 ' C ' ' A' ' 16' ' ' GLY . 65.5 mt -143.48 117.29 3.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.533 0.784 . . . . 10.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.687 ' CD1' ' CD1' ' A' ' 20' ' ' PHE . 0.6 OUTLIER -96.96 160.93 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 10.0 109.324 179.934 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.55 ' OD1' ' CD2' ' A' ' 32' ' ' TRP . 0.0 OUTLIER -146.26 116.6 7.47 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.094 . . . . 10.0 109.305 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.687 ' CD1' ' CD1' ' A' ' 18' ' ' ILE . 4.4 m-30 -105.97 97.0 6.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.429 1.081 . . . . 10.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.408 ' C ' ' OE1' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -108.91 130.04 55.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 10.0 110.273 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -122.11 59.23 1.01 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 10.0 110.278 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.8 mttt -70.83 65.89 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.091 . . . . 10.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.409 ' O ' ' N ' ' A' ' 26' ' ' ASN . 0.6 OUTLIER -150.8 155.9 40.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 10.0 110.283 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.429 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 4.4 m -69.56 57.87 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 10.0 109.989 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.429 ' CB ' ' O ' ' A' ' 25' ' ' SER . 0.7 OUTLIER 77.61 29.5 0.52 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 10.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -86.9 -145.55 9.39 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.474 1.109 . . . . 10.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.424 ' HB3' ' CA ' ' A' ' 102' ' ' SER . 18.2 Cg_endo -74.99 164.44 33.37 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.466 1.771 . . . . 10.0 110.986 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.457 ' CG2' HD13 ' A' ' 104' ' ' ILE . 93.5 t -103.48 123.33 56.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 10.0 109.366 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.4 mttt -78.97 88.76 4.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 10.0 109.311 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.59 HG22 ' CE1' ' A' ' 20' ' ' PHE . 46.2 t -86.4 128.21 39.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 10.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.55 ' CD2' ' OD1' ' A' ' 19' ' ' ASN . 0.0 OUTLIER -158.51 165.28 34.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 10.0 107.967 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.53 ' N ' ' CD1' ' A' ' 32' ' ' TRP . . . 162.45 -161.22 33.44 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.51 1.131 . . . . 10.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.418 ' O ' ' HA3' ' A' ' 16' ' ' GLY . 79.8 p -155.54 125.35 6.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 0.763 . . . . 10.0 109.987 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.449 HG22 ' CD2' ' A' ' 38' ' ' LEU . 10.1 mt -111.41 109.85 30.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 10.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -112.49 114.84 27.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 10.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.77 -27.86 0.2 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.507 1.13 . . . . 10.0 111.007 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.617 ' CD1' ' N ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -84.89 -161.64 0.6 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 0.761 . . . . 10.0 109.284 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 46.5 p -125.41 156.58 38.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 10.0 110.382 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.41 ' HA ' ' CB ' ' A' ' 89' ' ' ALA . 2.4 tm-20 -58.12 143.78 42.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 10.0 110.267 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 128.93 176.31 14.39 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.476 1.11 . . . . 10.0 110.991 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.5 mp -55.05 159.94 2.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 0.774 . . . . 10.0 109.33 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.59 ' CG ' ' ND1' ' A' ' 120' ' ' HIS . 2.6 m-70 -155.37 164.85 38.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 10.0 109.577 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -82.65 -133.16 1.86 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.471 1.107 . . . . 10.0 110.966 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.447 ' CE2' ' CG1' ' A' ' 87' ' ' VAL . 0.2 OUTLIER -166.26 154.11 10.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 0.772 . . . . 10.0 111.002 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -50.99 174.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 10.0 109.584 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 1.3 t 61.0 88.83 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 10.0 109.276 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 53.9 p-80 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 10.0 109.541 179.959 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.0 -0.84 . . . . 10.0 111.0 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.73 156.14 23.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 0.797 . . . . 10.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -137.4 -73.58 0.42 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 10.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -163.49 -116.56 0.38 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.48 1.113 . . . . 10.0 110.999 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 43' ' ' HIS . 2.3 m120 -151.09 148.39 28.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 0.738 . . . . 10.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.447 ' CG1' ' CE2' ' A' ' 45' ' ' PHE . 7.5 m -111.17 -170.56 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.104 . . . . 10.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 3.1 m -155.51 145.24 21.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 10.0 110.44 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.413 ' CB ' ' HA2' ' A' ' 93' ' ' GLY . . . -85.6 173.42 10.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 10.0 109.337 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.457 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 11.0 t0 -85.86 -96.13 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 10.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.457 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 0.1 OUTLIER -137.83 11.67 2.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 10.0 109.298 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -156.04 24.2 0.37 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 10.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.513 ' O ' ' CD2' ' A' ' 38' ' ' LEU . . . 88.28 -29.91 5.43 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.493 1.121 . . . . 10.0 111.019 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.419 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 16.9 t -44.3 94.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.562 0.801 . . . . 10.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.489 ' N ' ' O ' ' A' ' 93' ' ' GLY . . . -99.83 114.53 27.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 10.0 109.258 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -91.16 148.36 22.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.138 . . . . 10.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.407 HG12 ' N ' ' A' ' 98' ' ' SER . 22.0 t -118.44 153.97 20.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 10.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.407 ' N ' HG12 ' A' ' 97' ' ' VAL . 65.9 p -176.26 89.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 10.0 110.031 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.1 mt -142.58 172.86 7.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 10.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -133.34 102.93 5.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 10.0 110.254 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -84.96 102.73 13.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 10.0 109.306 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.502 ' O ' ' CG2' ' A' ' 103' ' ' VAL . 53.5 p -88.9 63.02 6.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 10.0 109.989 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.502 ' CG2' ' O ' ' A' ' 102' ' ' SER . 47.7 t -158.92 -65.05 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 10.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.52 ' C ' ' CD1' ' A' ' 104' ' ' ILE . 1.5 pp -78.1 168.17 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 10.0 109.328 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 48.5 m -161.52 161.68 30.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 10.0 109.964 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.1 mt -61.46 -39.21 90.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 10.0 109.271 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 79.9 p -129.75 -171.37 2.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 10.0 110.042 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 93.41 -140.56 15.12 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.482 1.114 . . . . 10.0 111.01 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -98.69 28.03 4.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 0.749 . . . . 10.0 109.32 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . 0.43 ' CE1' ' O ' ' A' ' 103' ' ' VAL . 72.7 m80 -125.07 -70.13 0.76 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 10.0 109.598 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 10.6 p 60.8 94.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 10.0 110.022 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.454 ' CG2' ' HB ' ' A' ' 104' ' ' ILE . 10.4 pt -90.48 -14.22 8.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 10.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 34.4 mm -50.78 109.12 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 10.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 112.34 34.4 1.95 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.534 1.146 . . . . 10.0 111.048 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.426 ' CG ' ' O ' ' A' ' 112' ' ' ILE . 4.8 mmm180 -111.74 82.16 1.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 0.772 . . . . 10.0 110.3 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 3.0 m -41.46 111.83 0.26 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 10.0 110.388 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -76.97 85.89 3.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 10.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.47 ' CG1' ' HA ' ' A' ' 143' ' ' ARG . 17.2 t -79.64 156.76 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 10.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.535 HG11 ' CE1' ' A' ' 120' ' ' HIS . 21.9 t -97.74 -121.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 10.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . 0.59 ' ND1' ' CG ' ' A' ' 43' ' ' HIS . 0.0 OUTLIER -155.96 124.65 5.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 10.0 109.635 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.474 ' HB2' ' CB ' ' A' ' 142' ' ' SER . 0.8 OUTLIER -66.1 -18.88 65.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 10.0 110.26 -179.935 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -179.1 -171.87 0.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 10.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -91.19 122.05 33.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 10.0 109.286 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -67.58 -10.77 54.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 10.0 109.311 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 53.15 32.39 13.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 10.0 109.287 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 15.8 mt 55.36 19.19 2.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 10.0 109.333 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 97.32 127.35 5.62 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.524 1.14 . . . . 10.0 110.994 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 5.2 mttp -72.01 -71.96 0.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 0.773 . . . . 10.0 109.31 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -144.92 29.84 1.82 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.47 1.107 . . . . 10.0 110.979 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 64.21 107.14 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 N-CA-C 111.021 -0.832 . . . . 10.0 111.021 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . 0.565 ' O ' ' N ' ' A' ' 135' ' ' THR . 0.3 OUTLIER -144.49 153.39 41.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 0.755 . . . . 10.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 131' ' ' ASN . 4.0 mt-10 -38.1 -28.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 10.0 110.324 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . 0.48 ' N ' ' O ' ' A' ' 131' ' ' ASN . 0.0 OUTLIER -89.94 -46.76 8.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 10.0 110.312 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' SER . . . . . 0.461 ' O ' ' N ' ' A' ' 136' ' ' LYS . 0.1 OUTLIER -70.31 -49.43 49.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 10.0 109.999 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' THR . . . . . 0.565 ' N ' ' O ' ' A' ' 131' ' ' ASN . 23.1 p -37.04 -31.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 10.0 110.399 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 134' ' ' SER . 0.0 OUTLIER -106.77 -39.17 5.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 10.0 109.281 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' THR . . . . . 0.475 ' OG1' ' N ' ' A' ' 138' ' ' GLY . 33.7 p -129.46 -116.5 0.24 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 10.0 110.389 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . 0.475 ' N ' ' OG1' ' A' ' 137' ' ' THR . . . -165.35 46.04 0.28 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.537 1.148 . . . . 10.0 111.021 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 50.4 33.14 7.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 0.798 . . . . 10.0 109.282 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -151.78 26.22 0.65 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 10.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -80.37 94.48 1.5 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.516 1.135 . . . . 10.0 110.945 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' SER . . . . . 0.474 ' CB ' ' HB2' ' A' ' 121' ' ' GLU . 0.3 OUTLIER -150.16 146.07 26.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 0.762 . . . . 10.0 109.997 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . 0.47 ' HA ' ' CG1' ' A' ' 118' ' ' VAL . 3.7 mtp85 -94.24 135.57 35.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 10.0 110.295 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 12.6 mt -129.03 12.37 6.14 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.459 1.099 . . . . 10.0 109.306 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . 0.464 ' CB ' HD13 ' A' ' 8' ' ' LEU . . . -166.38 161.38 16.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 10.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 146' ' ' CYS . . . . . 0.401 ' O ' ' SG ' ' A' ' 146' ' ' CYS . 21.5 p -153.89 65.48 0.72 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 10.0 108.313 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -59.99 -41.59 97.98 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.53 1.144 . . . . 10.0 110.985 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . 0.421 HG13 ' N ' ' A' ' 149' ' ' ILE . 3.1 t 63.56 145.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.523 0.778 . . . . 10.0 109.254 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 149' ' ' ILE . . . . . 0.424 HD13 ' CD2' ' A' ' 20' ' ' PHE . 47.3 mm -84.54 127.41 39.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.11 . . . . 10.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -135.39 111.17 0.88 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.461 1.101 . . . . 10.0 111.054 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . 0.495 HD11 ' CG2' ' A' ' 2' ' ' THR . 11.5 mm -41.22 132.75 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.522 0.778 . . . . 10.0 109.359 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 3' ' ' LYS . . . -90.94 170.41 10.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 10.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 10.0 110.313 179.998 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.473 HG22 ' CD1' ' A' ' 151' ' ' ILE . 1.3 m . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.376 -0.231 . . . . 10.0 110.376 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -97.51 110.13 22.75 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.131 . . . . 10.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . 0.489 ' HB1' ' CG2' ' A' ' 149' ' ' ILE . . . -88.95 157.69 18.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 10.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.477 HG22 ' CB ' ' A' ' 152' ' ' ALA . 3.8 t -130.95 153.42 39.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 10.0 109.262 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.41 ' N ' ' O ' ' A' ' 18' ' ' ILE . . . -155.66 89.71 1.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 10.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.6 m -83.82 109.21 17.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.42 1.075 . . . . 10.0 109.31 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.486 ' HB2' ' N ' ' A' ' 16' ' ' GLY . 0.7 OUTLIER -55.17 144.0 25.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 10.0 109.272 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -171.95 142.47 1.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 10.0 109.292 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 11' ' ' ASP . . . 168.79 -95.77 0.11 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.527 1.142 . . . . 10.0 111.002 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 10' ' ' GLY . 39.9 t0 -40.28 -49.96 2.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 0.767 . . . . 10.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.442 ' N ' ' CD ' ' A' ' 13' ' ' PRO . . . 142.64 -53.7 0.61 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.478 1.111 . . . . 10.0 111.061 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.442 ' CD ' ' N ' ' A' ' 12' ' ' GLY . 18.5 Cg_endo -75.01 -21.86 15.4 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.525 1.802 . . . . 10.0 111.061 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.488 HG11 ' CB ' ' A' ' 145' ' ' ALA . 5.2 t -83.2 99.3 5.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 10.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.76 31.32 5.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 10.0 110.29 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.486 ' N ' ' HB2' ' A' ' 8' ' ' LEU . . . -42.85 162.8 0.03 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.455 1.097 . . . . 10.0 110.971 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.412 HG13 ' C ' ' A' ' 16' ' ' GLY . 65.6 mt -142.34 101.62 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.558 0.799 . . . . 10.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.464 HD11 ' CE1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -117.29 149.58 19.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 10.0 109.28 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.419 ' N ' HG12 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -132.96 162.45 31.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.11 . . . . 10.0 109.278 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.606 ' CZ ' ' CG2' ' A' ' 31' ' ' VAL . 1.8 m-85 -129.92 106.59 8.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 10.0 111.009 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -103.72 145.19 30.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 10.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 -147.26 84.63 1.58 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 10.0 110.32 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.0 mtmt -74.73 57.45 0.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 10.0 109.313 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.492 ' O ' ' CB ' ' A' ' 25' ' ' SER . 0.0 OUTLIER -155.96 -45.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 10.0 110.282 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 0.4 OUTLIER 84.49 -11.5 0.81 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.569 1.168 . . . . 10.0 110.04 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 33.0 p-10 -158.92 27.39 0.22 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 10.0 109.285 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -127.59 -147.47 6.63 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.507 1.13 . . . . 10.0 110.995 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.425 ' HB3' ' CA ' ' A' ' 102' ' ' SER . 18.3 Cg_endo -75.01 150.93 38.84 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.525 1.803 . . . . 10.0 111.041 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.419 HG11 ' CD2' ' A' ' 20' ' ' PHE . 60.8 t -111.68 110.32 31.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 10.0 109.332 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.2 mttm -69.53 95.55 0.84 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 10.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.606 ' CG2' ' CZ ' ' A' ' 20' ' ' PHE . 70.4 t -87.37 134.21 28.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 10.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -164.32 155.96 16.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 10.0 107.973 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 178.79 -169.84 41.47 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.529 1.143 . . . . 10.0 111.011 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 26.5 p -157.27 122.29 4.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 0.756 . . . . 10.0 109.977 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.551 HD12 ' CE2' ' A' ' 45' ' ' PHE . 0.1 OUTLIER -83.34 166.34 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 10.0 109.227 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.453 ' N ' ' CG2' ' A' ' 35' ' ' ILE . 32.7 mttt -156.28 115.14 3.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 10.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 138.79 -47.86 0.9 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.513 1.133 . . . . 10.0 110.969 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.605 ' HB3' ' CE1' ' A' ' 43' ' ' HIS . 0.4 OUTLIER -54.1 -170.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 0.791 . . . . 10.0 109.301 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 40' ' ' GLU . 36.0 p -135.89 143.77 45.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 10.0 110.416 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 39' ' ' THR . 0.0 OUTLIER -38.06 124.39 1.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 10.0 110.267 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.532 ' O ' ' CD2' ' A' ' 43' ' ' HIS . . . 147.4 169.3 14.66 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.493 1.121 . . . . 10.0 110.972 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.454 ' HB3' ' CB ' ' A' ' 123' ' ' ALA . 0.3 OUTLIER -70.19 127.55 33.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 0.747 . . . . 10.0 109.307 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.605 ' CE1' ' HB3' ' A' ' 38' ' ' LEU . 21.1 m170 -112.08 175.28 5.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 10.0 109.594 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -120.03 81.39 0.33 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.482 1.114 . . . . 10.0 111.012 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.551 ' CE2' HD12 ' A' ' 35' ' ' ILE . 9.1 m-30 -89.78 136.3 33.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 0.755 . . . . 10.0 110.969 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.541 ' CE1' ' NE2' ' A' ' 120' ' ' HIS . 15.9 p80 172.79 175.45 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 10.0 109.625 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.452 ' CG1' ' N ' ' A' ' 48' ' ' HIS . 58.0 t -71.41 165.31 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 10.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.48 ' O ' ' CG ' ' A' ' 48' ' ' HIS . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 10.0 109.605 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 83' ' ' ASP . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.031 -0.828 . . . . 10.0 111.031 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.424 ' C ' ' O ' ' A' ' 82' ' ' GLY . 3.4 t0 38.63 -154.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 0.775 . . . . 10.0 109.321 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 75.72 -79.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 10.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 105.23 -113.89 4.44 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.519 1.137 . . . . 10.0 110.998 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.452 ' N ' ' OD1' ' A' ' 86' ' ' ASN . 0.2 OUTLIER -125.55 144.18 50.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 0.763 . . . . 10.0 109.304 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.542 HG23 ' CD2' ' A' ' 45' ' ' PHE . 39.0 t -115.17 164.67 11.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 10.0 109.312 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 3.2 m -123.34 139.36 54.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 10.0 110.407 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -84.96 174.88 9.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 10.0 109.345 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.451 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 13.2 t0 -85.27 -97.08 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 10.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.451 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 8.7 pttt -137.7 11.84 2.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 10.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -155.2 24.88 0.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 10.0 109.292 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.443 ' HA3' ' C ' ' A' ' 38' ' ' LEU . . . 89.76 -33.06 4.54 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.474 1.109 . . . . 10.0 111.046 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.5 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 23.4 t -40.16 101.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.459 0.74 . . . . 10.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -106.86 118.18 36.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 10.0 109.266 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -110.3 147.32 34.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 10.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 61.7 t -125.27 164.29 24.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 10.0 109.293 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 24.5 p -172.31 92.54 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 10.0 110.007 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 7.5 mt -132.07 150.67 33.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 10.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -132.29 89.89 2.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 10.0 110.303 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.68 143.29 31.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 10.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.425 ' CA ' ' HB3' ' A' ' 28' ' ' PRO . 6.4 p -114.25 62.97 0.66 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 10.0 110.027 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 70.7 t -145.24 -51.58 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 10.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.483 ' HB ' ' CG2' ' A' ' 112' ' ' ILE . 0.1 OUTLIER -61.53 177.98 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 10.0 109.29 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 47.3 t -158.64 151.53 22.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 10.0 109.983 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.47 ' CD2' HD11 ' A' ' 151' ' ' ILE . 1.6 mp -66.56 -42.51 86.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 10.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 52.1 m -146.59 102.75 3.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.142 . . . . 10.0 109.984 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -176.05 -140.86 3.62 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.554 1.158 . . . . 10.0 111.001 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.91 -45.75 56.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 0.751 . . . . 10.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 8.4 m80 -101.51 50.93 0.85 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 10.0 109.553 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 5.0 t -51.96 123.01 9.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 10.0 110.005 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.483 ' CG2' ' HB ' ' A' ' 104' ' ' ILE . 2.2 pp -87.21 -25.55 6.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 10.0 109.341 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 12.1 mm -51.16 146.26 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 10.0 109.313 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 85.25 -12.77 57.57 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.511 1.132 . . . . 10.0 111.018 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.471 ' CG ' HD12 ' A' ' 149' ' ' ILE . 8.4 ptm180 -83.93 131.7 34.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 0.759 . . . . 10.0 110.284 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.459 ' HB ' ' N ' ' A' ' 148' ' ' VAL . 0.0 OUTLIER -128.05 153.63 46.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 10.0 110.425 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.463 ' CD1' ' HB3' ' A' ' 45' ' ' PHE . 4.5 mm? -94.45 58.89 2.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 10.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.435 ' CG1' ' HB3' ' A' ' 143' ' ' ARG . 16.1 t -53.21 124.07 5.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 10.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.544 HG11 ' CE1' ' A' ' 45' ' ' PHE . 12.4 m -75.16 -178.3 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 10.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . 0.541 ' NE2' ' CE1' ' A' ' 46' ' ' HIS . 1.9 m-70 -141.23 157.0 45.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 10.0 109.602 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.54 -11.76 26.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 10.0 110.349 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -170.99 -168.29 0.64 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 10.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.454 ' CB ' ' HB3' ' A' ' 42' ' ' LEU . . . -113.03 -176.82 2.99 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.553 1.158 . . . . 10.0 109.316 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 32.9 t0 -106.24 7.39 31.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 10.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 51.13 38.14 20.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 10.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 12.4 mt 58.34 20.45 7.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 10.0 109.328 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 113.71 120.64 3.61 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.495 1.122 . . . . 10.0 111.016 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 12.4 mttm -95.79 34.47 1.51 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 0.779 . . . . 10.0 109.346 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 90.39 -11.77 70.25 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.486 1.116 . . . . 10.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 97.76 115.44 3.4 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.96 -0.856 . . . . 10.0 110.96 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . 0.53 ' O ' ' N ' ' A' ' 135' ' ' THR . 28.7 m-20 -145.82 152.81 40.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 0.753 . . . . 10.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -49.99 -19.56 0.74 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 10.0 110.284 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . 0.41 ' N ' ' C ' ' A' ' 131' ' ' ASN . 1.2 tt0 -101.32 -29.59 11.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 10.0 110.278 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 137' ' ' THR . 3.7 m -85.88 -53.08 5.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 10.0 110.038 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' THR . . . . . 0.53 ' N ' ' O ' ' A' ' 131' ' ' ASN . 74.5 p -44.6 -24.69 0.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.572 1.17 . . . . 10.0 110.404 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.448 ' HG3' ' N ' ' A' ' 137' ' ' THR . 0.1 OUTLIER -99.02 -33.16 10.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 10.0 109.278 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' THR . . . . . 0.459 ' OG1' ' N ' ' A' ' 138' ' ' GLY . 69.8 p -146.21 -102.4 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 10.0 110.415 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . 0.459 ' N ' ' OG1' ' A' ' 137' ' ' THR . . . -169.84 39.16 0.2 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.545 1.153 . . . . 10.0 110.974 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 55.86 19.17 3.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 0.763 . . . . 10.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -144.77 26.7 1.38 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.128 . . . . 10.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . 0.509 ' HA2' ' CE1' ' A' ' 120' ' ' HIS . . . -71.12 75.64 0.62 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.528 1.143 . . . . 10.0 111.001 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.44 79.46 1.89 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 0.775 . . . . 10.0 109.995 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . 0.435 ' HB3' ' CG1' ' A' ' 118' ' ' VAL . 0.0 OUTLIER -43.01 165.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 10.0 110.295 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . 0.465 ' HB2' ' CG2' ' A' ' 119' ' ' VAL . 21.3 mt -146.98 -76.34 0.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 10.0 109.352 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . 0.488 ' CB ' HG11 ' A' ' 14' ' ' VAL . . . -98.01 168.12 10.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 10.0 109.282 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 2.6 p -155.68 67.1 0.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 10.0 108.322 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . 0.542 ' O ' ' HB ' ' A' ' 148' ' ' VAL . . . -45.57 -68.41 1.01 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.523 1.139 . . . . 10.0 111.013 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . 0.542 ' HB ' ' O ' ' A' ' 147' ' ' GLY . 15.2 t 85.27 100.01 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 0.772 . . . . 10.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 149' ' ' ILE . . . . . 0.509 HG22 ' CG ' ' A' ' 20' ' ' PHE . 2.7 mp -58.53 121.63 6.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 10.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -130.43 138.05 9.93 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.49 1.119 . . . . 10.0 111.037 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . 0.473 ' CD1' HG22 ' A' ' 2' ' ' THR . 29.6 mm -54.11 149.99 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.53 0.782 . . . . 10.0 109.351 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . 0.477 ' CB ' HG22 ' A' ' 5' ' ' VAL . . . -149.57 175.05 11.87 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.526 1.141 . . . . 10.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 10.0 110.309 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.499 ' CG2' ' CD1' ' A' ' 151' ' ' ILE . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.374 -0.232 . . . . 10.0 110.374 . . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -125.03 104.26 8.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 10.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . 0.508 ' CB ' ' HB2' ' A' ' 20' ' ' PHE . . . -85.67 152.7 22.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 10.0 109.337 179.956 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.477 HG21 ' CB ' ' A' ' 152' ' ' ALA . 7.0 t -128.71 160.4 39.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 10.0 109.335 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.461 ' CB ' HG22 ' A' ' 18' ' ' ILE . . . -154.18 87.76 1.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 10.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.449 ' CG2' ' O ' ' A' ' 7' ' ' VAL . 19.1 m -83.7 79.17 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 10.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.519 ' CD1' ' HA3' ' A' ' 147' ' ' GLY . 3.4 mp -42.46 126.76 3.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 10.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.35 -82.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 10.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.434 ' CA ' ' HB ' ' A' ' 14' ' ' VAL . . . 113.13 121.9 3.85 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.498 1.124 . . . . 10.0 110.966 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -53.85 -25.93 22.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 0.771 . . . . 10.0 109.259 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -150.1 -98.77 0.19 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.554 1.159 . . . . 10.0 111.016 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 14' ' ' VAL . 18.5 Cg_endo -74.95 -33.39 4.69 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.479 1.779 . . . . 10.0 110.993 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.451 ' CG1' ' HB3' ' A' ' 145' ' ' ALA . 52.8 t -39.81 144.79 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 10.0 109.29 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 174.26 76.85 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 10.0 110.262 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.485 ' CA ' ' HA ' ' A' ' 35' ' ' ILE . . . -92.26 159.95 25.56 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.506 1.129 . . . . 10.0 110.961 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 35.9 mt -129.82 97.57 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.505 0.768 . . . . 10.0 109.274 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.461 HG22 ' CB ' ' A' ' 6' ' ' ALA . 0.1 OUTLIER -108.97 132.03 58.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 10.0 109.278 179.992 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.419 ' N ' HD13 ' A' ' 18' ' ' ILE . 0.2 OUTLIER -124.58 143.29 50.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.158 . . . . 10.0 109.254 -179.989 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.578 ' CD2' HG22 ' A' ' 31' ' ' VAL . 5.5 m-85 -111.09 118.96 37.44 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.528 1.143 . . . . 10.0 111.014 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -109.48 133.22 53.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 10.0 110.277 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -143.57 102.22 3.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.576 1.173 . . . . 10.0 110.242 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.36 35.12 0.93 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 10.0 109.269 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -156.69 150.86 25.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 10.0 110.312 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 21.7 m -89.26 -3.82 58.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 10.0 109.956 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 14.3 p30 -165.87 32.68 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 10.0 109.331 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -113.24 -155.75 11.95 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.498 1.124 . . . . 10.0 111.032 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 165.97 30.21 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.489 1.784 . . . . 10.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.473 HG22 ' CD1' ' A' ' 106' ' ' LEU . 14.0 t -131.24 102.36 6.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 10.0 109.281 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.2 mttt -64.35 95.3 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 10.0 109.318 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.578 HG22 ' CD2' ' A' ' 20' ' ' PHE . 72.8 t -96.74 125.17 49.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 10.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 7.7 p90 -153.21 149.46 28.0 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.013 -1.106 . . . . 10.0 108.013 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.41 ' O ' ' HA ' ' A' ' 96' ' ' ASP . . . -166.99 -173.35 35.2 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.504 1.127 . . . . 10.0 110.995 179.924 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 58.3 p -157.77 118.37 3.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.44 0.729 . . . . 10.0 109.985 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.485 ' HA ' ' CA ' ' A' ' 16' ' ' GLY . 0.2 OUTLIER -84.6 163.51 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 10.0 109.297 -179.995 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.437 ' HG2' ' O ' ' A' ' 35' ' ' ILE . 34.1 mttt -149.02 105.43 3.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 10.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.451 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 138.22 -38.33 1.71 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.494 1.121 . . . . 10.0 111.01 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.536 HD11 ' CD2' ' A' ' 43' ' ' HIS . 0.3 OUTLIER -53.91 -168.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 0.763 . . . . 10.0 109.294 179.969 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.423 ' O ' ' C ' ' A' ' 40' ' ' GLU . 11.3 p -151.85 145.34 24.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 10.0 110.406 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 39' ' ' THR . 2.4 tt0 -36.88 115.1 0.35 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 10.0 110.32 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.44 ' O ' ' NE2' ' A' ' 43' ' ' HIS . . . 143.16 168.55 12.04 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.522 1.139 . . . . 10.0 111.0 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.551 ' CD2' ' ND2' ' A' ' 86' ' ' ASN . 4.2 mp -66.52 156.79 33.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 0.741 . . . . 10.0 109.244 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.536 ' CD2' HD11 ' A' ' 38' ' ' LEU . 9.6 m80 -140.14 77.69 1.62 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 10.0 109.614 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 43' ' ' HIS . . . 34.64 -143.14 0.07 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.432 1.082 . . . . 10.0 110.997 -179.952 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.421 ' O ' ' O ' ' A' ' 46' ' ' HIS . 18.0 m-85 -141.44 112.46 7.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 0.758 . . . . 10.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.471 ' CG ' HD12 ' A' ' 117' ' ' LEU . 10.3 p80 -46.19 172.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 10.0 109.574 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.4 ' HB ' ' O ' ' A' ' 46' ' ' HIS . 75.3 t 66.2 135.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 10.0 109.291 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.463 ' CE1' HG23 ' A' ' 116' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.142 . . . . 10.0 109.636 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 83' ' ' ASP . . . . . . . . 0 CA--C 1.531 1.056 0 N-CA-C 110.984 -0.847 . . . . 10.0 110.984 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 82' ' ' GLY . 11.2 t70 39.11 87.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 0.789 . . . . 10.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -167.17 -55.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 10.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 120.76 -174.51 15.78 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.47 1.106 . . . . 10.0 110.991 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.551 ' ND2' ' CD2' ' A' ' 42' ' ' LEU . 2.8 p-10 -84.38 130.29 34.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 0.783 . . . . 10.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.469 ' CG2' ' HB2' ' A' ' 43' ' ' HIS . 24.9 m -84.32 128.33 38.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.154 . . . . 10.0 109.285 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 15.6 m -110.37 153.54 24.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 10.0 110.421 179.928 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.475 ' CB ' ' HA2' ' A' ' 93' ' ' GLY . . . -84.56 175.26 9.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 10.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.429 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 11.1 t0 -84.83 -97.09 0.06 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 10.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.429 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 37.2 pttt -134.21 7.09 3.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 10.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -156.55 24.71 0.34 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 10.0 109.298 -179.939 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.475 ' HA2' ' CB ' ' A' ' 89' ' ' ALA . . . 96.8 -42.29 2.22 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.516 1.135 . . . . 10.0 110.962 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.448 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 20.7 t -40.64 98.61 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.489 0.758 . . . . 10.0 109.307 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 93' ' ' GLY . . . -95.89 111.35 23.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 10.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.41 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 2.0 t70 -99.64 155.26 17.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 10.0 109.254 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.464 HG11 ' N ' ' A' ' 98' ' ' SER . 72.5 t -131.23 153.58 39.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 10.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.464 ' N ' HG11 ' A' ' 97' ' ' VAL . 80.0 p -174.45 88.06 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 10.0 110.01 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.417 HG21 ' N ' ' A' ' 100' ' ' GLU . 2.7 mp -135.72 165.45 29.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 10.0 109.256 -179.953 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.417 ' N ' HG21 ' A' ' 99' ' ' ILE . 0.0 OUTLIER -125.49 94.58 4.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 10.0 110.352 179.975 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -94.5 132.99 38.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 10.0 109.299 -179.964 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 21.9 p -123.26 -45.89 2.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 10.0 109.984 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 89.6 t -45.43 -43.67 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 10.0 109.342 179.951 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.494 ' C ' ' CD1' ' A' ' 104' ' ' ILE . 1.8 pp -71.32 178.1 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.102 . . . . 10.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.82 146.96 23.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 10.0 110.016 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.473 ' CD1' HG22 ' A' ' 29' ' ' VAL . 4.0 mp -77.32 -36.95 53.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.09 . . . . 10.0 109.261 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -151.94 68.84 0.89 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 10.0 109.978 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -139.37 -115.92 1.32 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.552 1.157 . . . . 10.0 111.002 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.87 -8.48 21.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 0.766 . . . . 10.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 68.4 m80 -105.45 -50.73 3.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 10.0 109.63 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.2 t 54.03 92.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 10.0 109.985 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.561 HD13 ' CE2' ' A' ' 20' ' ' PHE . 0.7 OUTLIER -103.01 -8.03 9.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 10.0 109.245 -179.962 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 11.2 mm -49.21 116.41 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 10.0 109.307 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 100.48 42.09 2.61 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.475 1.11 . . . . 10.0 110.981 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.457 ' O ' ' N ' ' A' ' 117' ' ' LEU . 2.6 mtt180 -84.25 83.43 7.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 0.773 . . . . 10.0 110.298 -179.973 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.468 ' CG2' HG21 ' A' ' 148' ' ' VAL . 0.4 OUTLIER -42.34 94.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 10.0 110.374 -179.988 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.471 HD12 ' CG ' ' A' ' 46' ' ' HIS . 0.2 OUTLIER -81.79 69.49 8.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 10.0 109.299 179.993 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.46 ' CG1' ' HA ' ' A' ' 146' ' ' CYS . 2.7 m -101.25 175.99 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 10.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 10.5 m -142.76 149.45 18.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 10.0 109.306 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . 0.494 ' CE1' ' CA ' ' A' ' 141' ' ' GLY . 3.9 m-70 -86.11 168.63 13.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 10.0 109.626 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -90.66 20.56 4.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.169 . . . . 10.0 110.316 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.75 155.56 1.03 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 10.0 109.264 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.482 ' CB ' ' HB2' ' A' ' 42' ' ' LEU . . . -69.32 155.23 40.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 10.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.522 ' O ' ' CB ' ' A' ' 125' ' ' ASP . 0.2 OUTLIER -45.91 -91.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 10.0 109.284 -179.994 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . 0.522 ' CB ' ' O ' ' A' ' 124' ' ' ASP . 3.9 m-20 154.49 -24.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 10.0 109.336 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.1 mt 52.34 21.86 1.84 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 10.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -99.45 75.86 0.49 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.493 1.12 . . . . 10.0 110.996 -180.0 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.7 -24.72 9.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 0.756 . . . . 10.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -41.22 -48.45 4.5 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.469 1.106 . . . . 10.0 111.031 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -55.85 -172.46 0.13 Allowed Glycine 0 CA--C 1.531 1.033 0 N-CA-C 110.967 -0.853 . . . . 10.0 110.967 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . 0.447 ' O ' ' N ' ' A' ' 133' ' ' GLN . 68.8 m-80 -153.77 139.7 18.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 0.779 . . . . 10.0 109.245 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 131' ' ' ASN . 2.0 mp0 38.17 30.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 10.0 110.292 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 131' ' ' ASN . 0.0 OUTLIER -140.98 -72.97 0.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 10.0 110.323 179.959 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 134' ' ' SER . . . . . 0.453 ' HA ' ' CA ' ' A' ' 138' ' ' GLY . 23.6 p -95.47 -12.58 25.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 10.0 109.996 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 19.0 p -79.99 -9.59 59.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 10.0 110.384 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.38 -37.66 3.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 10.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 45.8 p -126.81 -77.84 0.58 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.122 . . . . 10.0 110.434 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . 0.453 ' CA ' ' HA ' ' A' ' 134' ' ' SER . . . 156.73 43.94 0.02 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.472 1.108 . . . . 10.0 110.987 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 53.1 t-20 40.25 31.07 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 0.767 . . . . 10.0 109.306 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . 0.436 ' N ' ' C ' ' A' ' 138' ' ' GLY . . . -162.96 52.45 0.18 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 10.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . 0.494 ' CA ' ' CE1' ' A' ' 120' ' ' HIS . . . -102.23 88.66 0.69 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.468 1.105 . . . . 10.0 110.987 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 142' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 143' ' ' ARG . 0.2 OUTLIER -125.76 76.91 1.62 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 0.758 . . . . 10.0 110.042 179.974 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . 0.43 ' NH1' ' HB2' ' A' ' 143' ' ' ARG . 0.0 OUTLIER -37.88 155.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 10.0 110.319 -179.971 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 2.2 mt -132.66 -86.33 0.46 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 10.0 109.296 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . 0.451 ' HB3' ' CG1' ' A' ' 14' ' ' VAL . . . -77.88 169.77 17.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 10.0 109.272 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 146' ' ' CYS . . . . . 0.46 ' HA ' ' CG1' ' A' ' 118' ' ' VAL . 0.8 OUTLIER -156.91 70.35 0.63 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 10.0 108.273 -179.975 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . 0.519 ' HA3' ' CD1' ' A' ' 8' ' ' LEU . . . -68.95 -58.42 6.81 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.517 1.136 . . . . 10.0 110.967 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . 0.468 HG21 ' CG2' ' A' ' 116' ' ' THR . 58.1 t 68.46 151.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 0.749 . . . . 10.0 109.314 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 149' ' ' ILE . . . . . 0.57 ' CD1' ' CE1' ' A' ' 20' ' ' PHE . 0.8 OUTLIER -87.84 137.47 20.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 10.0 109.281 -179.992 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 151' ' ' ILE . . . -147.5 111.31 0.55 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.478 1.111 . . . . 10.0 110.998 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . 0.499 ' CD1' ' CG2' ' A' ' 2' ' ' THR . 16.4 mm -38.48 141.39 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.535 0.785 . . . . 10.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . 0.477 ' CB ' HG21 ' A' ' 5' ' ' VAL . . . -144.13 162.1 37.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 10.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 10.0 110.296 -179.975 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.459 HG23 ' CD1' ' A' ' 151' ' ' ILE . 1.7 m . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.359 -0.237 . . . . 10.0 110.359 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.4 ttmt -121.21 142.09 50.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 10.0 109.281 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . 0.5 ' HB1' ' CG2' ' A' ' 149' ' ' ILE . . . -118.6 159.59 23.31 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.457 1.098 . . . . 10.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.447 HG21 ' CB ' ' A' ' 152' ' ' ALA . 2.7 t -134.88 158.27 41.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 10.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.427 ' CB ' ' O ' ' A' ' 147' ' ' GLY . . . -155.66 93.01 1.43 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 10.0 109.291 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.416 ' O ' ' C ' ' A' ' 8' ' ' LEU . 53.8 t -81.38 98.69 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 10.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.507 ' HB2' ' N ' ' A' ' 16' ' ' GLY . 1.1 mm? -39.2 152.46 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 10.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.7 tttt -175.91 107.93 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 10.0 109.277 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 11' ' ' ASP . . . -153.62 -108.31 0.33 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.531 1.144 . . . . 10.0 111.031 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 10' ' ' GLY . 13.2 t0 -39.55 -60.94 0.88 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 0.745 . . . . 10.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.511 ' N ' ' CD ' ' A' ' 13' ' ' PRO . . . 160.53 -50.32 0.37 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.491 1.12 . . . . 10.0 110.986 -180.0 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.511 ' CD ' ' N ' ' A' ' 12' ' ' GLY . 18.4 Cg_endo -75.04 -42.27 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.49 1.784 . . . . 10.0 110.99 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.479 HG12 ' CG2' ' A' ' 119' ' ' VAL . 43.3 t -59.76 89.56 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 10.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -115.74 42.07 2.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 10.0 110.271 -179.972 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.507 ' N ' ' HB2' ' A' ' 8' ' ' LEU . . . -52.56 166.29 1.22 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.461 1.101 . . . . 10.0 111.021 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 31.1 mt -141.87 97.03 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.47 0.747 . . . . 10.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.504 ' C ' ' CD1' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -114.58 139.43 40.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 10.0 109.302 179.98 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -134.07 163.59 29.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 10.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.573 ' CD1' HG23 ' A' ' 31' ' ' VAL . 3.5 m-30 -114.8 130.16 56.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 10.0 110.999 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.403 ' HB2' ' CH2' ' A' ' 32' ' ' TRP . 1.1 tp10 -116.85 131.29 56.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 10.0 110.307 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -155.12 71.13 0.78 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.115 . . . . 10.0 110.288 -179.959 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.1 mtpt -83.25 51.55 1.99 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 10.0 109.305 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.407 ' HB3' ' N ' ' A' ' 27' ' ' GLY . 5.2 mm-40 -155.33 141.23 18.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 10.0 110.269 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 28.8 m -81.53 -13.97 57.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 10.0 109.992 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -151.69 34.23 0.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 10.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.407 ' N ' ' HB3' ' A' ' 24' ' ' GLU . . . -113.07 177.63 18.26 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.471 1.107 . . . . 10.0 111.001 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.492 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 18.4 Cg_endo -75.0 173.15 15.0 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.527 1.804 . . . . 10.0 111.027 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 23.6 t -113.96 95.88 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 10.0 109.287 -179.959 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.1 mttp -65.89 90.08 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 10.0 109.335 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.573 HG23 ' CD1' ' A' ' 20' ' ' PHE . 19.7 t -88.46 130.91 37.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 10.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.403 ' CH2' ' HB2' ' A' ' 21' ' ' GLU . 6.6 p90 -151.05 160.02 44.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 10.0 108.015 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -173.25 -173.12 39.36 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.527 1.142 . . . . 10.0 111.013 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.8 p -156.44 123.05 5.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 0.735 . . . . 10.0 110.011 179.973 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.598 ' CG2' ' CD2' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -87.06 165.16 2.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 10.0 109.305 -179.99 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.432 ' N ' ' CG2' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -160.08 108.88 1.73 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 10.0 109.278 -180.0 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.459 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 157.92 -63.68 0.31 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.479 1.112 . . . . 10.0 111.04 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.598 ' CD2' ' CG2' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -54.68 -165.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 0.74 . . . . 10.0 109.302 179.988 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 57.7 p -134.68 160.77 37.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 10.0 110.434 179.965 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -40.11 129.77 2.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 10.0 110.25 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 136.38 173.49 12.97 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.493 1.121 . . . . 10.0 110.954 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 5.3 mp -63.68 162.27 13.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 0.756 . . . . 10.0 109.337 179.958 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.477 ' CE1' ' HB2' ' A' ' 38' ' ' LEU . 85.9 m-70 -155.09 128.07 8.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.427 1.079 . . . . 10.0 109.614 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 43' ' ' HIS . . . -37.18 154.02 0.01 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.488 1.117 . . . . 10.0 111.022 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.606 ' CD2' ' O ' ' A' ' 83' ' ' ASP . 3.9 t80 -86.14 155.98 20.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 0.766 . . . . 10.0 110.995 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.482 ' C ' ' CG2' ' A' ' 47' ' ' VAL . 7.5 p80 -65.28 175.21 1.76 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 10.0 109.613 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.482 ' CG2' ' C ' ' A' ' 46' ' ' HIS . 2.2 t 80.77 94.1 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 10.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.5 ' CG ' ' O ' ' A' ' 48' ' ' HIS . 14.6 p-80 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 10.0 109.561 -179.948 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 110.997 -0.841 . . . . 10.0 110.997 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.606 ' O ' ' CD2' ' A' ' 45' ' ' PHE . 15.7 m-20 -80.25 -68.08 0.71 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 0.764 . . . . 10.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.488 ' CB ' ' O ' ' A' ' 83' ' ' ASP . 0.2 OUTLIER 87.2 -67.6 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.112 . . . . 10.0 109.326 -179.971 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -146.14 -141.52 3.63 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.47 1.106 . . . . 10.0 110.997 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.415 ' ND2' ' HB2' ' A' ' 124' ' ' ASP . 0.9 OUTLIER -146.1 170.83 15.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 0.781 . . . . 10.0 109.338 179.979 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 33.1 m -126.17 157.46 36.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 10.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 4.4 m -111.02 147.78 34.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 10.0 110.406 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.473 ' CB ' ' O ' ' A' ' 93' ' ' GLY . . . -84.71 168.3 15.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 10.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.448 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 25.4 t0 -72.88 -100.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.155 . . . . 10.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.448 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 31.2 pttt -134.7 6.21 3.45 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 10.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -149.69 19.35 0.91 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 10.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.475 ' HA3' ' O ' ' A' ' 38' ' ' LEU . . . 103.25 -46.92 1.15 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.533 1.145 . . . . 10.0 111.009 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.522 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 53.7 t -36.02 111.62 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.533 0.784 . . . . 10.0 109.311 -179.957 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -116.78 123.29 46.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 10.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -109.34 145.55 35.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 10.0 109.273 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.457 ' CG1' HD11 ' A' ' 99' ' ' ILE . 28.7 t -120.41 160.31 21.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.148 . . . . 10.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.408 ' N ' HG11 ' A' ' 97' ' ' VAL . 8.4 t -165.41 95.78 0.66 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 10.0 110.03 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.457 HD11 ' CG1' ' A' ' 97' ' ' VAL . 3.3 mt -121.65 148.65 24.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 10.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -129.07 90.97 3.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.166 . . . . 10.0 110.287 179.981 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.492 ' O ' ' CB ' ' A' ' 28' ' ' PRO . 80.0 m-20 -105.21 148.21 27.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 10.0 109.321 179.936 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.2 p -115.86 -36.83 4.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 10.0 110.008 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 73.4 t -53.38 -48.16 57.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 10.0 109.333 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.401 HD13 ' C ' ' A' ' 104' ' ' ILE . 2.8 pp -64.1 171.97 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.491 1.119 . . . . 10.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -159.81 166.01 31.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 10.0 110.015 -179.957 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.5 mp -77.81 -37.54 48.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 10.0 109.296 179.97 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -149.13 118.44 6.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 10.0 110.0 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 171.02 -121.5 0.91 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.516 1.135 . . . . 10.0 110.949 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -92.31 -32.63 14.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 0.775 . . . . 10.0 109.286 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 7.3 m80 -87.71 -61.23 1.76 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 10.0 109.618 -179.98 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.7 p 58.04 103.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.571 1.169 . . . . 10.0 110.013 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.457 HD13 ' CD2' ' A' ' 20' ' ' PHE . 44.1 pt -97.56 -17.69 6.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 10.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 14.6 mm -59.59 117.01 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 10.0 109.255 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 108.94 26.0 5.43 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.478 1.111 . . . . 10.0 110.992 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.471 ' O ' ' N ' ' A' ' 117' ' ' LEU . 5.7 mtt180 -86.85 76.88 9.37 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 0.759 . . . . 10.0 110.329 179.999 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 31.0 m -45.33 93.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 10.0 110.386 -179.965 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.509 ' O ' ' N ' ' A' ' 147' ' ' GLY . 0.1 OUTLIER -69.26 143.9 53.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 10.0 109.302 179.975 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.457 ' CG2' ' O ' ' A' ' 145' ' ' ALA . 7.5 p -158.43 166.85 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 10.0 109.317 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.479 ' CG2' HG12 ' A' ' 14' ' ' VAL . 2.1 m -136.4 160.33 37.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 10.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . 0.505 ' CE1' ' HB3' ' A' ' 140' ' ' ALA . 0.4 OUTLIER -88.62 -167.02 1.75 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 10.0 109.586 179.992 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -105.55 -39.9 5.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 10.0 110.357 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.09 178.28 5.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 10.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -80.01 161.35 25.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 10.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.415 ' HB2' ' ND2' ' A' ' 86' ' ' ASN . 0.2 OUTLIER -94.55 91.04 6.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 10.0 109.354 179.936 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -62.11 -24.97 67.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.105 . . . . 10.0 109.315 -179.958 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 30.9 mt 58.63 19.17 6.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 10.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 158.34 116.07 0.46 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.553 1.158 . . . . 10.0 110.957 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.82 -35.19 5.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 0.749 . . . . 10.0 109.327 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 149.97 -45.8 0.66 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.47 1.106 . . . . 10.0 111.001 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -87.47 159.88 31.18 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 110.954 -0.858 . . . . 10.0 110.954 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . 0.517 ' O ' ' CB ' ' A' ' 132' ' ' GLU . 5.4 m-80 -112.9 111.39 22.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 0.748 . . . . 10.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . 0.517 ' CB ' ' O ' ' A' ' 131' ' ' ASN . 1.4 mt-10 159.85 -22.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 10.0 110.297 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . 0.443 ' O ' ' CG ' ' A' ' 136' ' ' LYS . 0.8 OUTLIER -110.67 -64.83 1.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 10.0 110.334 179.989 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 134' ' ' SER . . . . . 0.469 ' HA ' ' CA ' ' A' ' 138' ' ' GLY . 0.3 OUTLIER -69.49 -27.03 64.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 10.0 110.028 179.955 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 135' ' ' THR . . . . . 0.509 ' OG1' ' N ' ' A' ' 132' ' ' GLU . 7.0 p -76.28 -13.87 60.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 10.0 110.398 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.443 ' CG ' ' O ' ' A' ' 133' ' ' GLN . 31.1 pttt -105.42 -30.74 9.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 10.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 74.1 p -137.6 -71.68 0.43 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 10.0 110.388 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . 0.469 ' CA ' ' HA ' ' A' ' 134' ' ' SER . . . 144.32 43.53 0.05 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.457 1.098 . . . . 10.0 110.99 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 1.6 m120 47.57 24.82 0.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 0.771 . . . . 10.0 109.281 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . 0.505 ' HB3' ' CE1' ' A' ' 120' ' ' HIS . . . -64.51 -62.0 1.86 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.539 1.149 . . . . 10.0 109.355 179.951 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 142.07 -119.01 1.37 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.455 1.097 . . . . 10.0 110.982 179.991 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 2.5 t -151.95 122.71 7.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 0.723 . . . . 10.0 110.042 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . 0.452 ' HB2' ' CG2' ' A' ' 118' ' ' VAL . 0.0 OUTLIER -42.87 151.14 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 10.0 110.308 179.989 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . 0.514 ' O ' ' CB ' ' A' ' 145' ' ' ALA . 0.4 OUTLIER -162.47 77.49 0.48 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 10.0 109.308 179.978 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . 0.514 ' CB ' ' O ' ' A' ' 144' ' ' LEU . . . 162.54 160.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.421 1.076 . . . . 10.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 146' ' ' CYS . . . . . 0.427 ' HA ' ' O ' ' A' ' 117' ' ' LEU . 1.3 m -156.23 65.41 0.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.103 . . . . 10.0 108.251 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' A' ' 117' ' ' LEU . . . -79.64 63.73 3.95 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.504 1.127 . . . . 10.0 111.0 179.958 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 2.6 t -53.54 127.97 12.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.519 0.776 . . . . 10.0 109.346 179.961 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 149' ' ' ILE . . . . . 0.569 HG21 ' CD2' ' A' ' 20' ' ' PHE . 3.7 mp -85.07 122.05 37.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 10.0 109.29 -179.966 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -138.14 140.02 10.82 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.494 1.121 . . . . 10.0 110.951 -179.969 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . 0.459 ' CD1' HG23 ' A' ' 2' ' ' THR . 18.5 mm -51.58 144.27 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.522 0.778 . . . . 10.0 109.316 179.926 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . 0.447 ' CB ' HG21 ' A' ' 5' ' ' VAL . . . -148.68 160.76 42.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 10.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 10.0 110.332 179.973 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.465 ' CG2' HD12 ' A' ' 151' ' ' ILE . 93.6 m . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.388 -0.227 . . . . 10.0 110.388 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.7 ttmt -119.15 102.67 8.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 10.0 109.304 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . 0.469 ' CB ' HG22 ' A' ' 149' ' ' ILE . . . -83.93 167.98 16.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 10.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -154.71 148.95 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 10.0 109.332 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.418 ' HB3' ' CG1' ' A' ' 18' ' ' ILE . . . -144.42 104.73 4.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 10.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.402 ' O ' ' C ' ' A' ' 8' ' ' LEU . 6.3 p -82.27 87.38 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 10.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.492 ' CD1' ' O ' ' A' ' 117' ' ' LEU . 0.7 OUTLIER -39.27 141.99 0.29 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 10.0 109.272 -179.963 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -176.75 121.66 0.14 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 10.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -174.66 -73.71 0.05 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.529 1.143 . . . . 10.0 110.998 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.485 ' HA ' ' CD1' ' A' ' 144' ' ' LEU . 66.8 t0 -54.6 -41.04 69.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 0.743 . . . . 10.0 109.353 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.422 ' N ' ' CD ' ' A' ' 13' ' ' PRO . . . 124.18 -55.9 0.7 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.524 1.14 . . . . 10.0 110.987 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.422 ' CD ' ' N ' ' A' ' 12' ' ' GLY . 18.3 Cg_endo -74.99 -24.1 13.18 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.524 1.802 . . . . 10.0 111.018 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.517 ' O ' ' CG1' ' A' ' 14' ' ' VAL . 0.3 OUTLIER -90.9 113.12 26.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 10.0 109.273 179.987 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -131.94 49.83 2.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 10.0 110.263 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.48 ' N ' ' HB2' ' A' ' 8' ' ' LEU . . . -61.46 166.93 14.5 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.51 1.131 . . . . 10.0 110.996 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 52.6 mt -141.78 110.16 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.539 0.788 . . . . 10.0 109.266 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.702 ' CD1' ' CD1' ' A' ' 20' ' ' PHE . 0.6 OUTLIER -97.52 161.13 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 10.0 109.317 179.985 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.56 ' CG ' ' CE2' ' A' ' 32' ' ' TRP . 0.0 OUTLIER -150.94 118.47 6.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 10.0 109.269 -179.969 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.702 ' CD1' ' CD1' ' A' ' 18' ' ' ILE . 3.9 m-30 -106.61 98.01 7.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 10.0 111.006 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 30' ' ' LYS . 21.8 tt0 -113.62 135.82 53.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.082 . . . . 10.0 110.293 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -137.59 58.41 1.7 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 10.0 110.327 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.84 66.13 0.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 10.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.408 ' O ' ' CB ' ' A' ' 25' ' ' SER . 1.7 mm-40 -136.6 -50.11 0.66 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 10.0 110.274 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.408 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 0.1 OUTLIER 79.47 -4.7 1.99 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 10.0 110.007 -179.977 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 19.5 m-20 -163.82 29.24 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 10.0 109.273 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -137.84 -173.9 13.14 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.53 1.144 . . . . 10.0 110.98 -179.967 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.414 ' N ' ' HB3' ' A' ' 102' ' ' SER . 18.3 Cg_endo -75.03 156.97 42.88 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.473 1.775 . . . . 10.0 111.001 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.3 t -84.34 122.43 37.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 10.0 109.307 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 21' ' ' GLU . 21.2 mttt -75.44 89.36 2.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.128 . . . . 10.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.472 HG11 ' CE1' ' A' ' 20' ' ' PHE . 21.6 t -88.65 126.55 41.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 10.0 109.321 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.56 ' CE2' ' CG ' ' A' ' 19' ' ' ASN . 0.0 OUTLIER -155.95 167.96 28.76 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.002 -1.11 . . . . 10.0 108.002 -179.975 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.469 ' N ' ' CD1' ' A' ' 32' ' ' TRP . . . 178.38 -173.45 45.86 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.515 1.134 . . . . 10.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.7 m -156.03 116.76 3.77 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.466 0.745 . . . . 10.0 109.978 -179.963 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.473 ' HA ' ' CA ' ' A' ' 16' ' ' GLY . 0.2 OUTLIER -85.25 161.09 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 10.0 109.272 -179.953 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.437 ' CG ' ' O ' ' A' ' 35' ' ' ILE . 21.8 mttt -153.93 99.06 2.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 10.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 146.65 -35.12 1.32 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.492 1.12 . . . . 10.0 111.019 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.47 HD23 ' CB ' ' A' ' 43' ' ' HIS . 8.0 mt -53.34 -170.32 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 0.744 . . . . 10.0 109.33 179.942 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.1 p -133.95 130.64 37.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 10.0 110.384 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.47 109.27 0.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 10.0 110.33 179.965 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 154.03 -144.33 11.12 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.497 1.123 . . . . 10.0 110.99 -179.977 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.71 149.96 21.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 0.76 . . . . 10.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.558 ' CE1' ' HB ' ' A' ' 87' ' ' VAL . 3.5 p80 -155.45 135.0 12.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 10.0 109.578 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.518 ' HA3' ' CD2' ' A' ' 120' ' ' HIS . . . -40.16 161.49 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.442 1.089 . . . . 10.0 110.994 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.55 ' CG ' ' O ' ' A' ' 83' ' ' ASP . 28.1 t80 -103.1 163.2 12.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 0.768 . . . . 10.0 111.067 179.953 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.601 ' CE1' HD13 ' A' ' 117' ' ' LEU . 2.3 m-70 -67.2 175.68 2.54 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.505 1.128 . . . . 10.0 109.615 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.5 ' CG2' ' C ' ' A' ' 46' ' ' HIS . 2.5 t 83.75 122.63 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 10.0 109.303 179.95 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.477 ' NE2' ' CZ ' ' A' ' 143' ' ' ARG . 5.0 p-80 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 10.0 109.587 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 110.992 -0.843 . . . . 10.0 110.992 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.55 ' O ' ' CG ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -65.58 -14.3 60.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 0.747 . . . . 10.0 109.324 179.97 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 54.66 -92.65 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 10.0 109.312 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.518 ' O ' ' CD1' ' A' ' 45' ' ' PHE . . . -123.96 169.18 16.06 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.458 1.099 . . . . 10.0 111.027 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -84.21 173.75 10.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 0.799 . . . . 10.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.558 ' HB ' ' CE1' ' A' ' 43' ' ' HIS . 2.6 t -126.42 178.28 4.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 10.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 51.8 m -144.25 134.49 24.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 10.0 110.432 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -85.92 175.19 8.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 10.0 109.293 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.445 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 6.7 t70 -82.21 -97.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 10.0 109.334 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.504 ' CG ' ' O ' ' A' ' 91' ' ' LYS . 9.1 ttpt -138.44 10.61 2.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 10.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -150.41 21.06 0.84 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.562 1.164 . . . . 10.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.432 ' HA3' ' C ' ' A' ' 38' ' ' LEU . . . 89.91 -30.52 5.78 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.525 1.141 . . . . 10.0 110.96 179.911 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.457 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 18.9 t -44.59 104.14 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 0.751 . . . . 10.0 109.257 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -106.92 116.55 32.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 10.0 109.284 179.99 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -108.25 145.09 34.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 10.0 109.267 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 23.9 t -110.65 165.15 6.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 10.0 109.299 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 87.6 p 179.34 93.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 10.0 109.971 179.951 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.2 mt -143.87 173.37 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 10.0 109.277 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -137.3 107.29 6.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 10.0 110.338 179.961 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -111.31 123.06 49.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 10.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.414 ' HB3' ' N ' ' A' ' 28' ' ' PRO . 0.1 OUTLIER -117.13 74.36 0.91 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 10.0 109.976 179.998 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 55.8 t -150.13 -47.25 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 10.0 109.272 179.985 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.467 ' HB ' ' CG2' ' A' ' 112' ' ' ILE . 0.0 OUTLIER -87.47 -169.03 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 10.0 109.307 -179.983 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 105' ' ' SER . . . . . 0.425 ' N ' HG12 ' A' ' 104' ' ' ILE . 0.4 OUTLIER -153.38 158.68 41.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 10.0 109.955 -179.977 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -85.65 -43.03 13.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 10.0 109.275 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -148.7 76.0 1.33 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 10.0 110.019 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -148.27 -126.09 1.55 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.587 1.179 . . . . 10.0 111.011 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -94.76 5.51 51.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 0.764 . . . . 10.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 26.4 m-70 -122.87 -56.19 1.77 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.095 . . . . 10.0 109.609 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 7.5 t 45.86 94.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 10.0 110.005 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.467 ' CG2' ' HB ' ' A' ' 104' ' ' ILE . 1.1 pt -90.43 -7.54 10.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 10.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 18.0 mt -49.78 127.76 5.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 10.0 109.285 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 121.37 3.1 10.6 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.462 1.101 . . . . 10.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 30.9 mtt180 -85.27 83.0 8.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 0.734 . . . . 10.0 110.325 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.414 ' O ' HG23 ' A' ' 116' ' ' THR . 9.8 t -55.71 106.28 0.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 10.0 110.366 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.601 HD13 ' CE1' ' A' ' 46' ' ' HIS . 3.8 mm? -61.14 88.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.1 . . . . 10.0 109.267 -180.0 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 3.4 t -84.7 151.09 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 10.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 65.9 t -135.86 127.56 44.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 10.0 109.271 -179.977 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . 0.518 ' CD2' ' HA3' ' A' ' 44' ' ' GLY . 4.9 m-70 -84.78 131.69 34.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 10.0 109.58 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.57 -39.99 50.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 10.0 110.351 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.455 ' CB ' ' HB2' ' A' ' 140' ' ' ALA . 0.6 OUTLIER -120.06 168.85 10.76 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.129 . . . . 10.0 109.258 -179.98 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.401 ' HB3' ' N ' ' A' ' 43' ' ' HIS . . . -94.12 -164.51 1.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 10.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -152.0 96.23 2.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 10.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 126' ' ' LEU . 13.9 m-20 -86.57 48.19 1.6 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 10.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' A' ' 125' ' ' ASP . 2.2 mp 39.42 68.15 0.39 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 10.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . 0.443 ' C ' ' N ' ' A' ' 129' ' ' GLY . . . -93.27 -45.84 3.43 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.53 1.144 . . . . 10.0 110.948 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.49 ' HB2' ' CG2' ' A' ' 135' ' ' THR . 9.0 pttp 41.56 28.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 0.768 . . . . 10.0 109.303 -179.942 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . 0.443 ' N ' ' C ' ' A' ' 127' ' ' GLY . . . -41.09 -40.43 2.4 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.46 1.1 . . . . 10.0 111.062 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -101.67 -134.52 8.49 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.023 -0.831 . . . . 10.0 111.023 179.951 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -154.42 139.47 17.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 0.754 . . . . 10.0 109.333 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 59.82 22.89 11.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 10.0 110.271 -179.977 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -134.52 -80.23 0.45 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 10.0 110.27 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 134' ' ' SER . . . . . 0.421 ' HB3' ' N ' ' A' ' 139' ' ' ASN . 1.2 p -75.09 -27.94 60.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 10.0 110.031 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 135' ' ' THR . . . . . 0.49 ' CG2' ' HB2' ' A' ' 128' ' ' LYS . 17.6 p -46.48 -31.32 2.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 10.0 110.415 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 5.9 pttt -101.37 -28.34 12.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 10.0 109.329 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 137' ' ' THR . . . . . 0.426 ' OG1' ' N ' ' A' ' 138' ' ' GLY . 68.6 p -123.83 -101.19 0.4 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 10.0 110.372 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . 0.455 ' O ' ' N ' ' A' ' 140' ' ' ALA . . . 173.89 35.26 0.04 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.503 1.127 . . . . 10.0 111.007 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 139' ' ' ASN . . . . . 0.454 ' C ' ' O ' ' A' ' 138' ' ' GLY . 7.2 t-20 35.94 34.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 0.782 . . . . 10.0 109.307 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 138' ' ' GLY . . . -98.93 -58.75 1.87 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 10.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -167.34 -136.09 1.98 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.488 1.117 . . . . 10.0 111.013 179.978 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 142' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 143' ' ' ARG . 1.0 OUTLIER -176.77 -168.51 0.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 0.795 . . . . 10.0 109.989 179.996 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . 0.497 ' O ' ' CD2' ' A' ' 144' ' ' LEU . 11.0 mtp180 -38.83 145.75 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.087 . . . . 10.0 110.306 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . 0.497 ' CD2' ' O ' ' A' ' 143' ' ' ARG . 0.2 OUTLIER -161.68 28.35 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 10.0 109.303 179.997 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -167.43 169.08 12.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 10.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 146' ' ' CYS . . . . . 0.402 ' HA ' ' OG1' ' A' ' 116' ' ' THR . 0.0 OUTLIER -155.0 72.58 0.84 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 10.0 108.305 179.985 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -89.51 72.11 2.19 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.464 1.103 . . . . 10.0 111.03 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . 0.409 ' HA ' ' HA ' ' A' ' 116' ' ' THR . 18.8 t -65.31 136.72 26.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.534 0.785 . . . . 10.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 149' ' ' ILE . . . . . 0.469 HG22 ' CB ' ' A' ' 4' ' ' ALA . 1.1 mp -73.74 111.55 9.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 10.0 109.301 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 151' ' ' ILE . . . -120.99 111.7 1.97 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.486 1.116 . . . . 10.0 110.994 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . 0.465 HD12 ' CG2' ' A' ' 2' ' ' THR . 13.8 mm -39.62 142.22 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.765 . . . . 10.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -103.8 168.62 9.02 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.505 1.128 . . . . 10.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 10.0 110.313 -179.979 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.501 ' O ' ' CG2' ' A' ' 2' ' ' THR . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.419 -0.215 . . . . 10.0 110.419 . . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -92.39 99.98 12.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 10.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -85.28 149.94 25.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 10.0 109.282 -179.976 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.463 HG23 ' CB ' ' A' ' 152' ' ' ALA . 6.1 t -118.96 151.23 21.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 10.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.467 ' CB ' HG21 ' A' ' 18' ' ' ILE . . . -155.52 86.75 1.08 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 10.0 109.328 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.4 p -84.21 107.42 15.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 10.0 109.289 -179.966 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.489 ' HB2' ' N ' ' A' ' 16' ' ' GLY . 0.8 OUTLIER -56.34 130.97 46.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 10.0 109.356 179.977 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 18.9 tttt -159.1 132.17 7.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 10.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 11' ' ' ASP . . . 176.07 -94.97 0.1 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.475 1.109 . . . . 10.0 111.006 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 10' ' ' GLY . 45.3 t0 -38.43 -63.17 0.52 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 0.749 . . . . 10.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.418 ' N ' ' CD ' ' A' ' 13' ' ' PRO . . . 157.57 -55.79 0.38 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.448 1.092 . . . . 10.0 110.997 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.418 ' CD ' ' N ' ' A' ' 12' ' ' GLY . 18.4 Cg_endo -74.99 -38.5 1.57 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.477 1.777 . . . . 10.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.433 ' CG1' ' HB3' ' A' ' 145' ' ' ALA . 3.2 t -65.14 94.55 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 10.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -119.59 37.77 4.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 10.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.489 ' N ' ' HB2' ' A' ' 8' ' ' LEU . . . -52.42 161.82 2.27 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.531 1.144 . . . . 10.0 110.952 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.411 HG13 ' C ' ' A' ' 16' ' ' GLY . 65.2 mt -142.75 100.84 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.46 0.741 . . . . 10.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.558 HD13 ' CZ ' ' A' ' 20' ' ' PHE . 0.3 OUTLIER -108.28 161.3 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 10.0 109.256 -179.969 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.45 ' N ' ' CG1' ' A' ' 18' ' ' ILE . 0.1 OUTLIER -152.92 157.75 41.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 10.0 109.262 179.99 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.702 ' CE1' ' CG1' ' A' ' 149' ' ' ILE . 6.3 m-85 -129.85 107.04 9.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 10.0 111.025 179.932 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -96.79 148.92 22.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 10.0 110.323 -179.996 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -146.56 82.99 1.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 10.0 110.291 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.8 mttt -76.53 55.94 1.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 10.0 109.309 -180.0 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -156.2 -44.36 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 10.0 110.277 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 75.06 1.76 3.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 10.0 109.983 180.0 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -167.91 31.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 10.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -141.07 -144.03 4.37 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.49 1.119 . . . . 10.0 111.002 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 157.92 42.38 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.492 1.785 . . . . 10.0 110.986 -179.969 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 46.7 t -120.63 114.55 44.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 10.0 109.314 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.6 mttt -76.29 97.27 4.15 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 10.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.452 ' CG2' ' CD2' ' A' ' 20' ' ' PHE . 42.5 t -89.79 142.26 13.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 10.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -167.62 156.55 9.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 10.0 107.976 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.455 ' CA ' ' HA ' ' A' ' 18' ' ' ILE . . . -172.22 -173.98 39.29 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.517 1.136 . . . . 10.0 110.999 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.4 m -156.95 121.28 4.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 0.734 . . . . 10.0 110.026 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.467 ' O ' ' CG ' ' A' ' 36' ' ' LYS . 0.1 OUTLIER -83.98 165.8 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 10.0 109.345 179.978 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.467 ' CG ' ' O ' ' A' ' 35' ' ' ILE . 14.3 mtmt -155.96 109.72 2.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 10.0 109.265 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.454 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 140.07 -45.23 1.01 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.524 1.14 . . . . 10.0 110.969 179.949 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.633 ' CD2' ' CG ' ' A' ' 43' ' ' HIS . 1.7 mp -52.42 -171.66 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 0.746 . . . . 10.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.448 ' O ' ' NE2' ' A' ' 43' ' ' HIS . 17.6 p -133.32 137.93 46.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 10.0 110.401 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 39' ' ' THR . 0.4 OUTLIER -37.17 116.79 0.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 10.0 110.305 179.991 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 151.27 -176.82 29.58 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.443 1.089 . . . . 10.0 110.958 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.493 ' CD2' ' ND2' ' A' ' 86' ' ' ASN . 1.3 mt -75.5 138.68 41.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 0.78 . . . . 10.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.633 ' CG ' ' CD2' ' A' ' 38' ' ' LEU . 58.4 m-70 -133.63 170.63 15.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 10.0 109.614 -179.952 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -86.96 153.92 26.12 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.501 1.126 . . . . 10.0 111.005 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.568 ' CD1' HG11 ' A' ' 87' ' ' VAL . 10.6 t80 -142.67 78.9 1.63 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 0.764 . . . . 10.0 110.981 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.634 ' NE2' ' CD2' ' A' ' 120' ' ' HIS . 2.4 m170 -84.61 176.51 8.55 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 10.0 109.605 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.525 ' CG1' ' O ' ' A' ' 47' ' ' VAL . 24.4 t -139.35 61.31 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 10.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.443 ' C ' ' O ' ' A' ' 47' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 10.0 109.596 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 110.999 -0.84 . . . . 10.0 110.999 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.494 ' O ' ' CB ' ' A' ' 84' ' ' LEU . 1.0 OUTLIER -71.86 -52.88 15.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 0.75 . . . . 10.0 109.288 -179.98 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.494 ' CB ' ' O ' ' A' ' 83' ' ' ASP . 0.5 OUTLIER 87.04 -4.24 0.65 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 10.0 109.285 179.964 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 150.64 -153.32 24.95 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.496 1.123 . . . . 10.0 110.996 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.493 ' ND2' ' CD2' ' A' ' 42' ' ' LEU . 31.5 p-10 -121.42 159.13 26.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 0.779 . . . . 10.0 109.259 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.568 HG11 ' CD1' ' A' ' 45' ' ' PHE . 20.8 m -113.8 -167.08 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 10.0 109.334 179.929 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 70.0 m -156.14 148.4 23.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 10.0 110.405 179.963 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.41 ' HB1' ' CA ' ' A' ' 93' ' ' GLY . . . -85.92 175.52 8.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 10.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.449 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 9.3 t70 -77.6 -97.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 10.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.449 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 23.2 mtmt -138.51 10.82 2.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 10.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -155.06 24.42 0.43 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 10.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.428 ' HA3' ' C ' ' A' ' 38' ' ' LEU . . . 93.92 -37.45 3.4 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.473 1.108 . . . . 10.0 110.99 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.457 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 73.8 t -41.02 101.19 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.517 0.775 . . . . 10.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -100.11 115.95 31.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 10.0 109.286 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -107.69 149.87 27.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 10.0 109.266 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.414 ' CG1' ' N ' ' A' ' 98' ' ' SER . 94.6 t -124.87 165.67 21.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 10.0 109.314 179.947 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.414 ' N ' ' CG1' ' A' ' 97' ' ' VAL . 22.2 p -175.61 93.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 10.0 110.023 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 20.9 mt -134.29 153.72 36.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 10.0 109.318 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -132.55 90.16 2.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 10.0 110.341 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -95.61 159.89 14.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 10.0 109.279 -179.941 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -138.42 12.85 2.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 10.0 110.032 179.968 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 49.6 t -97.46 -41.97 11.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.13 . . . . 10.0 109.287 179.995 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.409 ' HB ' ' CG2' ' A' ' 112' ' ' ILE . 0.0 OUTLIER -77.84 -176.96 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 10.0 109.285 -179.984 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 105' ' ' SER . . . . . 0.408 ' O ' ' N ' ' A' ' 112' ' ' ILE . 47.1 t -162.82 146.81 11.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 10.0 110.002 -179.972 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.494 ' HG ' ' CG2' ' A' ' 2' ' ' THR . 2.9 mm? -61.76 -41.8 98.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 10.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.29 86.31 1.16 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 10.0 109.97 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -153.25 -116.07 0.62 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.504 1.127 . . . . 10.0 111.015 179.967 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -97.47 6.95 47.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 0.776 . . . . 10.0 109.272 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 64.0 m80 -132.39 -47.68 0.9 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 10.0 109.581 -179.998 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 59.5 p 51.9 87.62 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.453 1.096 . . . . 10.0 109.953 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.468 ' CG1' HD13 ' A' ' 106' ' ' LEU . 35.9 pt -88.72 -5.69 10.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 10.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 9.9 mm -56.34 113.54 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 10.0 109.265 -179.968 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 104.83 41.86 1.91 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.468 1.105 . . . . 10.0 111.032 -179.996 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.426 ' O ' ' N ' ' A' ' 117' ' ' LEU . 5.1 mtm180 -83.9 69.17 10.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 0.783 . . . . 10.0 110.304 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.511 ' CG2' ' CB ' ' A' ' 146' ' ' CYS . 87.6 m -62.66 80.47 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 10.0 110.422 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.517 ' CD1' ' CE1' ' A' ' 45' ' ' PHE . 0.1 OUTLIER -73.89 117.44 15.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 10.0 109.285 179.978 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.472 ' CG1' ' O ' ' A' ' 145' ' ' ALA . 1.5 t -114.92 122.66 69.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 10.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 30.1 m -82.52 149.16 4.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 10.0 109.293 -179.965 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . 0.634 ' CD2' ' NE2' ' A' ' 46' ' ' HIS . 0.3 OUTLIER -84.82 151.98 23.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 10.0 109.622 -179.973 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.56 -14.27 12.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 10.0 110.298 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 1.8 tmtt? -149.52 -179.19 6.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.16 . . . . 10.0 109.293 -180.0 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -69.25 166.84 17.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 10.0 109.259 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.433 ' OD1' ' N ' ' A' ' 124' ' ' ASP . 0.0 OUTLIER -45.02 -90.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 10.0 109.285 179.991 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . 0.433 ' OD1' ' CB ' ' A' ' 134' ' ' SER . 8.1 t70 -175.34 -39.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 10.0 109.271 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 3.7 mt 50.09 22.65 0.96 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 10.0 109.246 179.961 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 84.92 105.88 0.64 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.52 1.137 . . . . 10.0 110.991 -179.991 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 1.4 mttm -92.92 -84.37 0.29 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 0.785 . . . . 10.0 109.317 179.962 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 169.05 -34.61 0.19 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.526 1.141 . . . . 10.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -61.94 -166.56 0.49 Allowed Glycine 0 CA--C 1.529 0.967 0 N-CA-C 110.961 -0.855 . . . . 10.0 110.961 -179.974 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 19.7 m-80 -152.37 138.04 17.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 0.735 . . . . 10.0 109.303 -179.996 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 68.8 13.7 8.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 10.0 110.333 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.05 -64.78 0.94 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 10.0 110.312 179.964 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 134' ' ' SER . . . . . 0.52 ' HA ' ' CA ' ' A' ' 138' ' ' GLY . 0.0 OUTLIER -91.88 -18.0 24.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 10.0 109.984 -179.984 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 75.0 p -82.78 7.95 13.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.414 1.071 . . . . 10.0 110.346 -179.947 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -127.8 -53.72 1.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 10.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 27.0 p -114.37 -22.47 9.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 10.0 110.395 -179.996 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . 0.52 ' CA ' ' HA ' ' A' ' 134' ' ' SER . . . 96.55 15.26 41.11 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.541 1.151 . . . . 10.0 110.978 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 139' ' ' ASN . . . . . 0.483 ' CB ' ' O ' ' A' ' 138' ' ' GLY . 2.5 t-20 81.59 -3.7 1.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 0.744 . . . . 10.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -123.87 79.92 1.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 10.0 109.281 -179.969 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . 0.591 ' HA2' ' CE1' ' A' ' 120' ' ' HIS . . . -117.65 111.88 2.32 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.544 1.153 . . . . 10.0 111.014 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 142' ' ' SER . . . . . 0.405 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 0.4 OUTLIER 165.43 97.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 0.787 . . . . 10.0 110.041 -179.982 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . 0.467 ' CB ' HG12 ' A' ' 118' ' ' VAL . 0.0 OUTLIER -46.59 161.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 10.0 110.295 -179.981 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 94.6 mt -123.29 -76.58 0.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 10.0 109.265 -179.966 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . 0.472 ' O ' ' CG1' ' A' ' 118' ' ' VAL . . . -118.2 176.22 5.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 10.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 146' ' ' CYS . . . . . 0.511 ' CB ' ' CG2' ' A' ' 116' ' ' THR . 0.5 OUTLIER -149.22 70.4 1.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 10.0 108.316 179.983 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . 0.43 ' O ' ' HB ' ' A' ' 148' ' ' VAL . . . -37.98 -58.68 1.52 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.539 1.15 . . . . 10.0 110.979 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . 0.506 ' CG2' ' OG1' ' A' ' 116' ' ' THR . 85.9 t 68.15 115.03 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 0.78 . . . . 10.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 149' ' ' ILE . . . . . 0.702 ' CG1' ' CE1' ' A' ' 20' ' ' PHE . 1.7 mp -69.57 135.55 28.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 10.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 151' ' ' ILE . . . -144.86 110.76 0.57 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.533 1.146 . . . . 10.0 110.987 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . 0.433 ' CD1' HG21 ' A' ' 2' ' ' THR . 16.2 mm -39.38 145.46 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.498 0.764 . . . . 10.0 109.277 179.959 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . 0.463 ' CB ' HG23 ' A' ' 5' ' ' VAL . . . -143.13 168.26 20.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 10.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 10.0 110.29 -179.982 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.406 ' O ' ' HA ' ' A' ' 21' ' ' GLU . 19.7 m . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.425 -0.213 . . . . 10.0 110.425 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.53 90.99 5.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 10.0 109.268 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . 0.465 ' CB ' ' CG2' ' A' ' 149' ' ' ILE . . . -84.46 155.16 22.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 10.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.454 ' CG2' ' CB ' ' A' ' 152' ' ' ALA . 0.8 OUTLIER -135.52 142.73 38.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 10.0 109.279 179.999 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' A' ' 147' ' ' GLY . . . -138.73 92.79 2.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 10.0 109.327 -179.943 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.4 p -83.45 97.57 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 10.0 109.28 -179.952 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.471 ' HB2' ' N ' ' A' ' 16' ' ' GLY . 1.3 mm? -42.77 139.85 1.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 10.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.4 tmtt? -173.34 120.88 0.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.436 1.085 . . . . 10.0 109.321 -179.978 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -179.88 -85.35 0.06 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.501 1.126 . . . . 10.0 111.019 -179.977 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -40.02 -47.34 2.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 0.767 . . . . 10.0 109.268 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 128.27 -57.03 0.72 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.516 1.135 . . . . 10.0 111.007 -179.946 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.447 ' O ' ' NE2' ' A' ' 15' ' ' GLN . 18.3 Cg_endo -75.04 -32.24 5.49 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.488 1.783 . . . . 10.0 111.016 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.528 ' O ' ' CG1' ' A' ' 14' ' ' VAL . 0.4 OUTLIER -81.99 113.38 21.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 10.0 109.313 179.98 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.447 ' NE2' ' O ' ' A' ' 13' ' ' PRO . 0.0 OUTLIER -132.9 56.44 1.85 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 10.0 110.316 -179.994 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.496 ' CA ' ' HA ' ' A' ' 35' ' ' ILE . . . -65.3 167.0 32.87 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.5 1.125 . . . . 10.0 111.026 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 24.6 mt -139.64 108.89 3.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 0.769 . . . . 10.0 109.291 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.55 ' C ' ' CD1' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -132.1 134.47 59.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 10.0 109.303 179.983 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.447 ' OD1' ' N ' ' A' ' 19' ' ' ASN . 0.0 OUTLIER -125.94 163.32 23.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 10.0 109.299 179.993 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.592 ' CE1' ' CG1' ' A' ' 31' ' ' VAL . 2.1 m-85 -131.53 104.0 6.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 10.0 111.039 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.406 ' HA ' ' O ' ' A' ' 2' ' ' THR . 50.1 tt0 -114.72 118.59 34.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 10.0 110.307 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.454 ' CB ' HG21 ' A' ' 29' ' ' VAL . 1.1 tt0 -140.5 58.34 1.57 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 10.0 110.28 -179.968 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.5 mtmt -77.47 71.17 3.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 10.0 109.322 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.471 ' O ' ' CB ' ' A' ' 25' ' ' SER . 0.0 OUTLIER -134.65 -47.78 0.75 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 10.0 110.323 -179.972 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.471 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 2.3 m 83.28 -8.32 1.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 10.0 110.004 179.973 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 39.1 p-10 -167.23 31.21 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 10.0 109.317 179.94 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -132.11 -172.62 13.1 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.511 1.132 . . . . 10.0 111.017 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 154.98 42.76 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.491 1.785 . . . . 10.0 110.995 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.454 HG21 ' CB ' ' A' ' 22' ' ' GLN . 78.1 t -97.56 117.74 42.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 10.0 109.257 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.6 mttt -74.08 92.6 2.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.437 1.086 . . . . 10.0 109.293 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.592 ' CG1' ' CE1' ' A' ' 20' ' ' PHE . 87.8 t -98.23 112.9 31.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.145 . . . . 10.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -141.21 155.72 46.01 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.977 -1.12 . . . . 10.0 107.977 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -177.17 179.64 47.92 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.51 1.131 . . . . 10.0 111.03 179.978 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 9.3 m -157.17 118.74 3.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 0.742 . . . . 10.0 110.031 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.496 ' HA ' ' CA ' ' A' ' 16' ' ' GLY . 0.2 OUTLIER -84.23 162.94 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 10.0 109.287 -179.961 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.482 ' CG ' ' O ' ' A' ' 35' ' ' ILE . 14.0 mttt -155.98 102.37 2.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 10.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.459 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 141.29 -38.91 1.48 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.455 1.097 . . . . 10.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.581 HD23 ' CD2' ' A' ' 43' ' ' HIS . 0.5 OUTLIER -53.55 -167.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 0.745 . . . . 10.0 109.254 -179.95 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.401 ' O ' ' CE1' ' A' ' 43' ' ' HIS . 50.1 p -130.08 146.46 51.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 10.0 110.387 -179.948 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.478 ' HA ' ' CB ' ' A' ' 89' ' ' ALA . 3.3 pt-20 -54.89 111.09 0.76 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 10.0 110.277 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 154.64 162.45 11.21 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.504 1.127 . . . . 10.0 111.001 180.0 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.7 mt -56.6 142.52 39.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 0.764 . . . . 10.0 109.277 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.581 ' CD2' HD23 ' A' ' 38' ' ' LEU . 40.7 m-70 -123.08 174.8 7.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 10.0 109.66 179.95 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -85.14 -179.37 50.9 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.441 1.088 . . . . 10.0 110.992 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.591 ' CE1' ' CG ' ' A' ' 86' ' ' ASN . 22.8 m-85 -82.98 173.53 11.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 0.776 . . . . 10.0 111.005 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.482 ' CB ' ' HG ' ' A' ' 117' ' ' LEU . 0.0 OUTLIER -104.92 167.64 9.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 10.0 109.589 -179.999 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 42.5 t 62.89 143.91 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 10.0 109.318 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.526 ' CG ' ' O ' ' A' ' 48' ' ' HIS . 21.5 p-80 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 10.0 109.555 -179.967 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 83' ' ' ASP . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.991 -0.844 . . . . 10.0 110.991 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.418 ' C ' ' O ' ' A' ' 82' ' ' GLY . 2.2 p-10 38.61 36.7 0.15 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 0.786 . . . . 10.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.48 ' O ' ' CD1' ' A' ' 45' ' ' PHE . 10.0 tp -165.86 115.26 0.99 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.152 . . . . 10.0 109.235 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.448 ' O ' ' O ' ' A' ' 84' ' ' LEU . . . -41.15 166.69 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.474 1.109 . . . . 10.0 111.01 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.591 ' CG ' ' CE1' ' A' ' 45' ' ' PHE . 65.8 m-20 -83.08 153.6 24.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 0.757 . . . . 10.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 7.7 m -106.34 160.86 5.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 10.0 109.258 -179.966 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 52.3 m -134.27 147.04 50.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 10.0 110.434 179.945 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.478 ' CB ' ' HA ' ' A' ' 40' ' ' GLU . . . -84.28 158.13 21.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 10.0 109.28 -179.959 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.423 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 5.3 t70 -72.16 -96.37 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 10.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.508 ' CG ' ' O ' ' A' ' 91' ' ' LYS . 4.6 tttt -139.62 12.72 2.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 10.0 109.342 180.0 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -148.98 20.23 0.99 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 10.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.46 ' HA3' ' O ' ' A' ' 38' ' ' LEU . . . 88.62 -27.84 6.85 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.539 1.149 . . . . 10.0 110.969 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.454 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 37.0 t -55.21 109.25 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 0.768 . . . . 10.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -107.78 117.47 34.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 10.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -102.05 155.75 17.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 10.0 109.265 -179.974 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.403 HG13 ' N ' ' A' ' 98' ' ' SER . 49.3 t -135.52 154.84 35.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 10.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.403 ' N ' HG13 ' A' ' 97' ' ' VAL . 16.0 p -176.59 93.14 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 10.0 110.027 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.5 mt -140.47 175.35 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 10.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -129.67 100.2 5.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 10.0 110.319 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -97.88 109.8 22.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 10.0 109.291 -179.982 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 95.5 p -104.79 56.05 0.7 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 10.0 109.985 -179.978 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 51.5 t -132.33 -51.39 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 10.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.475 ' HB ' ' CG2' ' A' ' 112' ' ' ILE . 0.0 OUTLIER -96.69 176.62 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.112 . . . . 10.0 109.313 179.975 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 105' ' ' SER . . . . . 0.443 ' CB ' ' OE1' ' A' ' 22' ' ' GLN . 53.9 p -170.18 174.98 5.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 10.0 109.991 -179.955 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.514 ' CD2' ' N ' ' A' ' 106' ' ' LEU . 0.1 OUTLIER -101.01 40.55 1.27 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 10.0 109.283 -179.996 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -87.53 -168.53 2.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 10.0 109.995 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -94.25 19.29 54.18 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.492 1.12 . . . . 10.0 110.977 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -136.74 -59.91 0.71 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 0.783 . . . . 10.0 109.314 179.961 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 33.6 m170 -90.09 15.52 10.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.14 . . . . 10.0 109.571 180.0 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -43.76 118.23 1.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 10.0 109.989 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.475 ' CG2' ' HB ' ' A' ' 104' ' ' ILE . 1.6 pp -101.31 -12.68 8.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 10.0 109.36 179.943 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 20.3 mt -48.58 131.95 6.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 10.0 109.269 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 110.41 8.37 25.11 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.488 1.118 . . . . 10.0 110.983 179.968 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 85.4 mtt180 -84.67 90.66 7.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 0.749 . . . . 10.0 110.314 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 55.3 m -61.69 100.25 0.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 10.0 110.422 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.482 ' HG ' ' CB ' ' A' ' 46' ' ' HIS . 0.5 OUTLIER -74.57 110.87 9.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 10.0 109.289 -179.992 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -137.32 107.7 5.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 10.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.479 HG22 ' CD2' ' A' ' 144' ' ' LEU . 33.3 m -72.25 172.62 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 10.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 30.8 m170 -111.73 143.14 43.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 10.0 109.608 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.43 -29.85 11.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 10.0 110.28 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.439 ' CB ' ' HB1' ' A' ' 140' ' ' ALA . 2.5 mttt -141.03 -172.01 3.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 10.0 109.294 -179.938 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.402 ' O ' ' O ' ' A' ' 138' ' ' GLY . . . -99.7 -173.58 2.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 10.0 109.343 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.404 ' OD1' ' CA ' ' A' ' 126' ' ' LEU . 4.1 p30 -111.79 -5.13 14.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.157 . . . . 10.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 61.82 30.75 18.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 10.0 109.295 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.404 ' CA ' ' OD1' ' A' ' 124' ' ' ASP . 19.1 mt 52.78 21.61 2.0 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.502 1.126 . . . . 10.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 108.34 121.98 4.64 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.479 1.112 . . . . 10.0 111.021 -179.945 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 1.2 mttm -74.76 -48.23 26.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 0.797 . . . . 10.0 109.352 179.946 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 152.49 -45.28 0.6 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.475 1.109 . . . . 10.0 111.031 179.966 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -84.55 137.54 15.88 Favored Glycine 0 CA--C 1.529 0.953 0 N-CA-C 110.991 -0.844 . . . . 10.0 110.991 -179.982 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . 0.413 ' O ' ' CB ' ' A' ' 132' ' ' GLU . 0.5 OUTLIER -90.15 89.66 7.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 0.747 . . . . 10.0 109.318 -179.999 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . 0.413 ' CB ' ' O ' ' A' ' 131' ' ' ASN . 0.8 OUTLIER 166.94 41.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 10.0 110.247 -179.978 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -177.84 -65.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 10.0 110.279 179.928 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 72.1 p -85.84 -22.43 27.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 10.0 110.036 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 2.4 p -77.21 -14.52 59.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 10.0 110.375 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 18.9 mtmt -109.33 -32.98 6.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 10.0 109.317 -179.982 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 137' ' ' THR . . . . . 0.444 ' OG1' ' N ' ' A' ' 138' ' ' GLY . 69.4 p -138.89 -94.32 0.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 10.0 110.381 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . 0.444 ' N ' ' OG1' ' A' ' 137' ' ' THR . . . -177.09 34.93 0.08 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.512 1.132 . . . . 10.0 111.001 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 44.9 t30 44.32 26.91 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 0.767 . . . . 10.0 109.282 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . 0.439 ' HB1' ' CB ' ' A' ' 122' ' ' LYS . . . -179.47 40.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 10.0 109.273 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -93.81 89.1 1.26 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.522 1.139 . . . . 10.0 110.984 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 142' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 143' ' ' ARG . 5.2 t -89.0 -9.68 50.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 0.758 . . . . 10.0 109.976 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 142' ' ' SER . 0.0 OUTLIER 37.02 88.53 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 10.0 110.319 -179.999 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . 0.535 ' N ' ' CD1' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -117.57 161.56 19.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 10.0 109.316 179.995 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . 59.96 173.16 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 10.0 109.324 -179.939 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 146' ' ' CYS . . . . . 0.421 ' O ' ' N ' ' A' ' 148' ' ' VAL . 26.6 p -156.23 67.85 0.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 10.0 108.285 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . 0.494 ' O ' ' CB ' ' A' ' 6' ' ' ALA . . . -67.56 61.94 0.29 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.498 1.124 . . . . 10.0 110.999 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . 0.421 ' N ' ' O ' ' A' ' 146' ' ' CYS . 2.4 t -59.35 132.36 24.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.52 0.776 . . . . 10.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 149' ' ' ILE . . . . . 0.465 ' CG2' ' CB ' ' A' ' 4' ' ' ALA . 11.7 mm -75.45 106.34 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 10.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -119.39 137.59 12.7 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.536 1.147 . . . . 10.0 111.002 -179.962 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 27.0 mm -58.56 148.54 6.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 0.771 . . . . 10.0 109.326 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . 0.454 ' CB ' ' CG2' ' A' ' 5' ' ' VAL . . . -147.32 168.94 20.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 10.0 109.332 -179.95 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 10.0 110.317 -179.992 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.45 HG21 ' CD1' ' A' ' 151' ' ' ILE . 83.9 m . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.404 -0.221 . . . . 10.0 110.404 . . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 32.4 tttt -107.62 134.7 50.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 10.0 109.261 -179.988 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . 0.459 ' CB ' ' HB2' ' A' ' 20' ' ' PHE . . . -107.84 163.3 13.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 10.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.507 ' CG2' ' CB ' ' A' ' 152' ' ' ALA . 2.4 t -135.07 153.39 34.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 10.0 109.263 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -155.66 89.0 1.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 10.0 109.299 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 8.9 p -83.39 107.31 14.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 10.0 109.289 -179.972 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.473 ' CD2' ' N ' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -54.83 137.64 44.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 10.0 109.313 179.988 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.3 tptm -173.14 128.87 0.46 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 10.0 109.32 179.955 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 179.08 -81.62 0.06 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.446 1.091 . . . . 10.0 111.021 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -44.38 -47.94 9.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 0.765 . . . . 10.0 109.325 179.967 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 134.32 -57.33 0.7 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.514 1.134 . . . . 10.0 111.016 -179.966 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -22.23 15.1 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.509 1.794 . . . . 10.0 110.999 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.5 ' O ' ' CG1' ' A' ' 14' ' ' VAL . 0.4 OUTLIER -88.32 116.04 29.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 10.0 109.326 -179.996 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.78 45.69 2.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 10.0 110.309 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.465 ' CA ' ' HA ' ' A' ' 35' ' ' ILE . . . -53.91 166.55 1.98 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.452 1.095 . . . . 10.0 111.017 179.959 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 31.7 mt -139.54 106.22 2.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.484 0.755 . . . . 10.0 109.346 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.493 ' C ' ' CD1' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -128.69 130.76 68.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 10.0 109.279 -179.972 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.433 ' N ' HD12 ' A' ' 18' ' ' ILE . 1.1 m-20 -123.59 170.9 9.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 10.0 109.274 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.629 ' CE1' ' CG1' ' A' ' 149' ' ' ILE . 21.5 m-85 -124.81 123.61 40.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.088 . . . . 10.0 110.953 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.401 ' O ' ' N ' ' A' ' 30' ' ' LYS . 1.3 tt0 -111.02 132.13 54.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 10.0 110.305 179.961 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.451 ' HG3' ' CG2' ' A' ' 29' ' ' VAL . 2.6 tt0 -155.21 78.73 1.03 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 10.0 110.323 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 54.4 mttt -81.08 64.94 6.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 10.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.491 ' O ' ' CB ' ' A' ' 25' ' ' SER . 0.3 OUTLIER -154.63 -48.15 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 10.0 110.288 -180.0 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 1.9 t 85.15 -10.18 0.81 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 10.0 110.021 -179.978 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 18.1 p-10 -157.37 26.17 0.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 10.0 109.26 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -126.17 -152.79 8.21 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.496 1.123 . . . . 10.0 110.997 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.464 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 18.2 Cg_endo -74.98 163.07 36.1 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.541 1.811 . . . . 10.0 110.997 -179.958 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.451 ' CG2' ' HG3' ' A' ' 22' ' ' GLN . 41.6 t -125.69 108.81 20.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 10.0 109.349 179.966 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.401 ' N ' ' O ' ' A' ' 21' ' ' GLU . 27.8 mttt -75.44 93.11 2.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 10.0 109.295 -179.95 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.541 HG23 ' CD2' ' A' ' 20' ' ' PHE . 16.6 t -90.01 128.82 41.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 10.0 109.326 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 8.0 p90 -157.02 154.67 29.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 10.0 107.981 179.964 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -169.3 -169.62 32.85 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.498 1.124 . . . . 10.0 110.976 -179.972 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 43.7 m -157.48 123.02 4.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 0.782 . . . . 10.0 109.979 -179.971 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.71 ' CD1' ' CE2' ' A' ' 45' ' ' PHE . 0.1 OUTLIER -84.84 164.4 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 10.0 109.329 179.974 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.491 ' CG ' ' O ' ' A' ' 35' ' ' ILE . 22.0 mtmt -156.55 112.91 3.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 10.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.433 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 128.45 -37.0 2.34 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.477 1.111 . . . . 10.0 110.962 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.567 ' CD2' ' CG ' ' A' ' 43' ' ' HIS . 0.2 OUTLIER -53.85 -169.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 0.748 . . . . 10.0 109.271 -179.944 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.457 ' OG1' ' NE2' ' A' ' 43' ' ' HIS . 23.8 p -131.21 141.24 50.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.112 . . . . 10.0 110.352 -179.947 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.469 ' HA ' ' CB ' ' A' ' 89' ' ' ALA . 0.2 OUTLIER -44.38 123.8 3.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 10.0 110.301 179.991 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 127.54 162.21 11.04 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.512 1.133 . . . . 10.0 111.02 179.992 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.507 ' O ' ' CB ' ' A' ' 123' ' ' ALA . 1.0 OUTLIER -47.14 145.32 2.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 0.768 . . . . 10.0 109.303 -179.993 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.567 ' CG ' ' CD2' ' A' ' 38' ' ' LEU . 14.1 m-70 -155.16 159.34 40.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 10.0 109.604 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.81 151.42 25.44 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.496 1.122 . . . . 10.0 110.956 179.99 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.71 ' CE2' ' CD1' ' A' ' 35' ' ' ILE . 0.1 OUTLIER 175.9 79.29 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 0.764 . . . . 10.0 110.992 179.994 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.457 ' HA ' ' CD1' ' A' ' 117' ' ' LEU . 3.8 p80 -172.46 175.16 3.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 10.0 109.56 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.463 ' CG2' ' HD3' ' A' ' 115' ' ' ARG . 41.7 t -68.18 84.49 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.125 . . . . 10.0 109.309 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 1.3 m80 . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.54 1.15 . . . . 10.0 109.619 -179.998 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.002 -0.839 . . . . 10.0 111.002 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.453 ' OD1' ' N ' ' A' ' 85' ' ' GLY . 13.4 t0 -63.34 134.95 56.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 0.765 . . . . 10.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.429 ' O ' ' O ' ' A' ' 85' ' ' GLY . 0.2 OUTLIER -110.75 62.77 0.61 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 10.0 109.312 -179.998 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.453 ' N ' ' OD1' ' A' ' 83' ' ' ASP . . . 45.39 -174.06 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.503 1.127 . . . . 10.0 111.009 -179.948 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.413 ' OD1' ' CD2' ' A' ' 46' ' ' HIS . 6.3 m-20 -111.21 175.33 5.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 0.788 . . . . 10.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.544 HG22 ' CD2' ' A' ' 45' ' ' PHE . 2.7 t -127.31 174.04 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 10.0 109.245 -179.957 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 90.3 m -123.9 149.58 45.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 10.0 110.394 -179.984 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.469 ' CB ' ' HA ' ' A' ' 40' ' ' GLU . . . -84.88 167.6 15.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 10.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.439 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 12.6 t0 -80.29 -97.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 10.0 109.335 179.961 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.439 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 41.7 pttt -136.98 10.08 3.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 10.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -150.0 22.25 0.87 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 10.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.411 ' HA2' ' CB ' ' A' ' 89' ' ' ALA . . . 89.43 -30.78 5.47 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.538 1.148 . . . . 10.0 110.983 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.443 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 18.3 t -45.48 109.1 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.488 0.757 . . . . 10.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -111.04 116.61 31.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 10.0 109.316 179.998 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -107.38 149.63 27.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 10.0 109.281 -179.992 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 60.3 t -127.12 158.84 37.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 10.0 109.292 179.956 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 97.8 p -168.89 90.81 0.24 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 10.0 109.986 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 13.3 mt -126.39 147.54 31.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 10.0 109.343 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -129.77 89.29 2.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.118 . . . . 10.0 110.299 -179.951 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.464 ' O ' ' CB ' ' A' ' 28' ' ' PRO . 58.8 m-20 -95.75 160.55 14.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 10.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 44.2 p -119.64 -47.38 2.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 10.0 109.996 -179.997 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 40.2 t -44.91 -54.04 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 10.0 109.32 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.512 ' C ' ' CD1' ' A' ' 104' ' ' ILE . 1.7 pp -66.13 168.26 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 10.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 105' ' ' SER . . . . . 0.414 ' OG ' ' N ' ' A' ' 106' ' ' LEU . 0.0 OUTLIER -177.8 -175.67 0.52 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 10.0 109.974 179.967 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.414 ' N ' ' OG ' ' A' ' 105' ' ' SER . 5.8 mp -112.6 27.17 9.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 10.0 109.285 -179.94 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 107' ' ' SER . . . . . 0.406 ' O ' ' N ' ' A' ' 109' ' ' ASP . 16.9 m -97.62 161.91 13.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 10.0 110.015 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -65.65 74.97 0.1 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.536 1.148 . . . . 10.0 110.952 -179.978 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 107' ' ' SER . 2.0 m-20 173.31 -56.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 0.768 . . . . 10.0 109.28 179.947 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 52.8 m80 -109.0 13.47 24.65 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.542 1.151 . . . . 10.0 109.586 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 22.9 p -43.79 116.05 0.91 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 10.0 109.988 -179.977 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.471 ' CD1' ' CE2' ' A' ' 20' ' ' PHE . 1.1 pt -88.25 -14.32 9.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 10.0 109.258 -179.961 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 4.8 mt -55.9 132.81 19.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 10.0 109.316 179.953 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 111.48 5.38 26.22 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.48 1.112 . . . . 10.0 110.967 179.968 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.463 ' HD3' ' CG2' ' A' ' 47' ' ' VAL . 8.2 mtt85 -84.71 117.48 23.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 0.778 . . . . 10.0 110.33 179.951 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.448 ' CG2' HG22 ' A' ' 148' ' ' VAL . 5.5 m -97.88 86.8 3.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 10.0 110.374 -179.98 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.457 ' CD1' ' HA ' ' A' ' 46' ' ' HIS . 4.5 mm? -66.48 77.98 0.1 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 10.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.415 HG11 ' N ' ' A' ' 119' ' ' VAL . 91.7 t -81.49 142.35 13.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 10.0 109.335 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.415 ' N ' HG11 ' A' ' 118' ' ' VAL . 33.1 m -107.58 156.59 8.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 10.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 36.9 m170 -104.55 147.51 27.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 10.0 109.548 -179.96 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.64 -26.42 63.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 10.0 110.314 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 2.7 mmtt -142.28 168.44 19.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 10.0 109.331 179.979 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.507 ' CB ' ' O ' ' A' ' 42' ' ' LEU . . . -73.3 130.61 40.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 10.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 21.0 p-10 -60.19 -15.86 27.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 10.0 109.317 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 61.62 22.64 13.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 10.0 109.327 -179.976 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.3 mt 58.58 16.93 4.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.158 . . . . 10.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 96.09 128.36 5.66 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.554 1.159 . . . . 10.0 111.036 -179.949 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.62 -29.93 14.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 0.792 . . . . 10.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 130' ' ' GLY . . . 119.95 2.48 12.59 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.512 1.133 . . . . 10.0 111.003 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 129' ' ' GLY . . . -57.74 -156.42 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.014 -0.834 . . . . 10.0 111.014 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . 0.427 ' O ' ' CB ' ' A' ' 132' ' ' GLU . 72.9 m-80 -152.59 127.52 9.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 0.758 . . . . 10.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . 0.427 ' CB ' ' O ' ' A' ' 131' ' ' ASN . 4.3 tt0 80.71 -2.58 1.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 10.0 110.321 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -120.07 -52.71 2.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 10.0 110.317 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 5.9 p -80.78 -35.23 33.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.143 . . . . 10.0 110.029 179.924 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -61.12 -13.9 20.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 10.0 110.38 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 33.9 mttt -114.64 -52.44 2.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 10.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 37.4 p -123.34 -96.04 0.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 10.0 110.397 179.999 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . 0.408 ' C ' ' N ' ' A' ' 140' ' ' ALA . . . -171.64 35.95 0.16 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.549 1.156 . . . . 10.0 111.039 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 42.41 30.6 0.22 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 0.743 . . . . 10.0 109.334 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . 0.408 ' N ' ' C ' ' A' ' 138' ' ' GLY . . . -92.81 -60.94 1.69 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.488 1.118 . . . . 10.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -157.92 -108.69 0.27 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.517 1.136 . . . . 10.0 111.038 179.976 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.88 -160.41 1.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 0.774 . . . . 10.0 109.96 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -93.94 125.01 38.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 10.0 110.273 -179.964 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 28.7 mt -136.51 153.68 50.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 10.0 109.273 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . 0.409 ' HB2' ' CG2' ' A' ' 119' ' ' VAL . . . 72.93 160.95 0.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 10.0 109.257 179.959 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 7.2 p -154.37 63.76 0.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 10.0 108.272 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -75.78 61.49 2.89 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.512 1.132 . . . . 10.0 111.003 179.963 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . 0.448 HG22 ' CG2' ' A' ' 116' ' ' THR . 2.3 t -70.15 138.45 22.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.452 0.737 . . . . 10.0 109.288 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 149' ' ' ILE . . . . . 0.629 ' CG1' ' CE1' ' A' ' 20' ' ' PHE . 4.4 mp -71.89 123.41 26.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 10.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -139.71 115.49 1.1 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.459 1.099 . . . . 10.0 111.031 179.962 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . 0.45 ' CD1' HG21 ' A' ' 2' ' ' THR . 21.4 mm -41.52 144.12 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.496 0.762 . . . . 10.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . 0.507 ' CB ' ' CG2' ' A' ' 5' ' ' VAL . . . -143.98 175.04 10.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 10.0 109.323 -179.978 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 3.8 pm0 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 10.0 110.326 179.945 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.379 -0.23 . . . . 10.0 110.379 . . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.83 105.16 16.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.091 . . . . 10.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . 0.437 ' CB ' ' HB2' ' A' ' 20' ' ' PHE . . . -84.44 159.1 20.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 10.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.518 ' CG2' ' CB ' ' A' ' 152' ' ' ALA . 1.5 t -131.37 144.04 38.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 10.0 109.266 -179.959 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.501 ' CB ' HG13 ' A' ' 18' ' ' ILE . . . -151.1 88.76 1.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 10.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.471 ' CG2' ' O ' ' A' ' 7' ' ' VAL . 8.4 m -82.55 99.11 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 10.0 109.294 179.951 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.496 ' CD2' ' CG2' ' A' ' 18' ' ' ILE . 3.4 mm? -48.87 140.83 8.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 10.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 26.3 tttt -176.44 140.8 0.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 10.0 109.293 -179.975 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 172.4 -71.01 0.11 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.458 1.099 . . . . 10.0 111.02 179.956 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -63.02 -59.98 4.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 0.752 . . . . 10.0 109.28 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.409 ' N ' ' CD ' ' A' ' 13' ' ' PRO . . . 155.98 -55.88 0.4 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.497 1.123 . . . . 10.0 111.03 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.412 ' O ' ' O ' ' A' ' 36' ' ' LYS . 18.4 Cg_endo -74.99 -31.65 6.05 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.521 1.801 . . . . 10.0 111.036 179.97 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.3 t -76.61 94.95 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 10.0 109.331 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.4 ' HA ' ' O ' ' A' ' 8' ' ' LEU . 0.3 OUTLIER -122.53 36.84 4.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 10.0 110.338 179.999 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.476 ' CA ' ' HB2' ' A' ' 8' ' ' LEU . . . -51.64 166.77 0.8 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.497 1.123 . . . . 10.0 110.995 -179.973 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.432 HG13 ' C ' ' A' ' 16' ' ' GLY . 60.6 mt -143.03 111.48 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 0.765 . . . . 10.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.613 ' CD1' ' CD1' ' A' ' 20' ' ' PHE . 0.5 OUTLIER -105.89 161.1 5.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 10.0 109.336 179.972 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.425 ' N ' ' CD1' ' A' ' 18' ' ' ILE . 0.1 OUTLIER -152.21 120.6 6.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 10.0 109.332 179.996 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.613 ' CD1' ' CD1' ' A' ' 18' ' ' ILE . 2.7 m-30 -103.94 106.61 17.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 10.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -96.71 150.12 21.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 10.0 110.32 179.983 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -137.37 65.15 1.5 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 10.0 110.305 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.6 mttt -76.35 56.62 1.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 10.0 109.27 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -155.46 172.16 18.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 10.0 110.32 179.958 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.7 m -71.11 56.5 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 10.0 110.001 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 63.55 30.59 15.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 10.0 109.292 179.979 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -88.47 -113.57 1.2 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.497 1.123 . . . . 10.0 111.028 179.965 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.453 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 18.1 Cg_endo -75.04 166.15 29.76 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.547 1.814 . . . . 10.0 110.951 -179.97 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.429 ' CG2' ' CD1' ' A' ' 106' ' ' LEU . 21.2 t -128.96 107.55 15.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 10.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.26 96.08 0.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 10.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.553 ' CG2' ' CZ ' ' A' ' 20' ' ' PHE . 32.5 t -84.81 134.24 27.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 10.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -168.03 162.28 13.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 10.0 107.998 179.962 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.62 -170.57 43.59 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.513 1.133 . . . . 10.0 110.993 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.2 t -155.62 118.75 4.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 0.741 . . . . 10.0 110.008 179.969 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.484 ' O ' ' CG ' ' A' ' 36' ' ' LYS . 0.1 OUTLIER -84.07 165.43 2.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.121 . . . . 10.0 109.301 179.998 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.484 ' CG ' ' O ' ' A' ' 35' ' ' ILE . 35.0 mttt -155.49 115.07 3.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 10.0 109.33 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.455 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 133.44 -43.02 1.31 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.447 1.092 . . . . 10.0 111.024 -179.983 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.532 HD23 ' CG ' ' A' ' 43' ' ' HIS . 0.2 OUTLIER -52.76 -170.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 0.767 . . . . 10.0 109.283 -179.982 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.442 ' OG1' ' NE2' ' A' ' 43' ' ' HIS . 43.4 p -126.34 149.86 48.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 10.0 110.413 -179.954 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.436 ' HA ' ' CB ' ' A' ' 89' ' ' ALA . 0.2 OUTLIER -54.65 124.86 17.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.15 . . . . 10.0 110.283 -179.998 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 131.13 -179.51 16.95 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.519 1.137 . . . . 10.0 111.04 -179.988 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.456 ' CD2' ' ND2' ' A' ' 86' ' ' ASN . 4.6 mp -64.04 140.09 58.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 0.771 . . . . 10.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.532 ' CG ' HD23 ' A' ' 38' ' ' LEU . 75.4 m-70 -152.28 173.99 14.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 10.0 109.599 179.975 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.77 158.08 23.21 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.474 1.109 . . . . 10.0 110.993 179.978 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.561 ' CE1' ' HB3' ' A' ' 117' ' ' LEU . 73.1 t80 178.12 87.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 0.791 . . . . 10.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.467 ' HA ' ' CD1' ' A' ' 117' ' ' LEU . 0.0 OUTLIER -154.51 166.4 33.42 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.507 1.129 . . . . 10.0 109.606 179.983 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' A' ' 116' ' ' THR . 41.9 t -76.0 169.58 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.103 . . . . 10.0 109.316 -179.957 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 10.0 109.585 -179.967 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.417 ' O ' ' CB ' ' A' ' 83' ' ' ASP . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 111.019 -0.832 . . . . 10.0 111.019 . . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.417 ' CB ' ' O ' ' A' ' 82' ' ' GLY . 0.2 OUTLIER 75.96 165.93 0.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 0.776 . . . . 10.0 109.287 179.976 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 70.11 105.52 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 10.0 109.256 179.98 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -41.72 -73.08 0.23 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.526 1.141 . . . . 10.0 110.978 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.456 ' ND2' ' CD2' ' A' ' 42' ' ' LEU . 1.1 t30 -145.7 151.49 38.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 0.749 . . . . 10.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.452 ' O ' ' ND2' ' A' ' 86' ' ' ASN . 3.1 m -108.78 162.75 6.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 10.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 6.0 m -124.97 141.97 51.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 10.0 110.432 179.947 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.436 ' CB ' ' HA ' ' A' ' 40' ' ' GLU . . . -85.32 172.61 10.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 10.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.459 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 6.3 t0 -82.35 -95.7 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 10.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.459 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 58.6 pttt -139.04 11.67 2.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 10.0 109.331 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -154.66 24.18 0.46 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 10.0 109.354 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.425 ' O ' ' N ' ' A' ' 95' ' ' ALA . . . 89.71 -32.0 5.0 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.46 1.1 . . . . 10.0 110.993 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.472 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 20.4 t -40.73 98.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 0.765 . . . . 10.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 93' ' ' GLY . . . -106.31 116.75 32.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 10.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -108.93 151.82 25.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 10.0 109.317 -179.99 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 44.1 t -120.3 161.94 19.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 10.0 109.29 -179.961 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 18.5 p -170.81 86.58 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 10.0 109.981 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 28.1 mt -134.29 153.87 36.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 10.0 109.275 -179.972 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -128.33 91.45 3.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 10.0 110.32 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.453 ' O ' ' CB ' ' A' ' 28' ' ' PRO . 0.3 OUTLIER -91.88 147.87 22.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 10.0 109.346 179.996 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 10.8 p -125.37 8.76 7.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 10.0 109.977 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 5.5 t -89.45 -53.14 9.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.158 . . . . 10.0 109.344 179.957 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.516 ' C ' ' CD1' ' A' ' 104' ' ' ILE . 1.7 pp -70.06 178.3 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 10.0 109.249 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.87 161.19 36.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 10.0 110.024 179.977 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.429 ' CD1' ' CG2' ' A' ' 29' ' ' VAL . 7.4 mp -83.59 -39.38 20.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 10.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -149.69 113.1 4.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 10.0 109.973 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 173.53 -73.7 0.09 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.446 1.091 . . . . 10.0 111.038 -179.995 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -142.28 -47.35 0.34 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 0.752 . . . . 10.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 26.6 m80 -99.5 47.81 0.95 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 10.0 109.632 179.977 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 92.2 p -48.18 117.5 1.97 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 10.0 110.026 -179.956 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.461 ' CG2' ' HB ' ' A' ' 104' ' ' ILE . 2.2 pp -92.76 -26.28 4.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 10.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.402 ' C ' ' O ' ' A' ' 112' ' ' ILE . 37.5 mm -40.0 104.93 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 10.0 109.25 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 121.91 36.26 0.73 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.483 1.115 . . . . 10.0 110.972 179.949 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.471 ' HB3' ' CD2' ' A' ' 117' ' ' LEU . 0.1 OUTLIER -84.58 105.52 15.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 0.747 . . . . 10.0 110.33 179.984 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.464 ' CG2' ' HB2' ' A' ' 146' ' ' CYS . 11.1 m -90.13 64.9 6.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 10.0 110.348 -179.947 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.561 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 3.9 mm? -51.42 107.14 0.17 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.464 1.103 . . . . 10.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.482 ' CG1' ' HG2' ' A' ' 143' ' ' ARG . 70.0 t -111.62 134.68 53.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 10.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 11.4 m -93.69 135.35 28.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 10.0 109.309 179.983 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . 0.558 ' CE1' ' HA2' ' A' ' 141' ' ' GLY . 0.0 OUTLIER -84.98 146.84 27.01 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.134 . . . . 10.0 109.64 179.982 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.533 ' CG ' ' CB ' ' A' ' 142' ' ' SER . 0.1 OUTLIER -33.79 -50.11 0.35 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.098 . . . . 10.0 110.317 -179.983 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -135.88 -162.23 1.25 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 10.0 109.272 179.946 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -84.38 -175.25 5.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 10.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -136.62 79.07 1.74 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 10.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.0 -27.92 68.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 10.0 109.282 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.465 ' CD2' ' HA ' ' A' ' 135' ' ' THR . 1.9 mt 61.71 14.88 6.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 10.0 109.307 -179.966 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . 0.429 ' O ' ' N ' ' A' ' 130' ' ' GLY . . . -125.6 -76.13 0.26 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.44 1.088 . . . . 10.0 111.014 179.969 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 40.75 35.03 0.29 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 0.768 . . . . 10.0 109.277 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 52.37 46.19 57.89 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.504 1.127 . . . . 10.0 110.99 179.96 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 127' ' ' GLY . . . -174.92 175.78 47.05 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.029 -0.829 . . . . 10.0 111.029 -179.983 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . 0.513 ' O ' ' CB ' ' A' ' 132' ' ' GLU . 2.4 m-80 -151.36 105.02 3.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 0.801 . . . . 10.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . 0.513 ' CB ' ' O ' ' A' ' 131' ' ' ASN . 2.4 mt-10 160.05 -25.51 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 10.0 110.322 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.31 -69.79 0.84 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 10.0 110.264 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 134' ' ' SER . . . . . 0.471 ' HA ' ' CA ' ' A' ' 138' ' ' GLY . 0.0 OUTLIER -65.59 -40.78 93.08 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.491 1.119 . . . . 10.0 110.012 -179.983 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 135' ' ' THR . . . . . 0.465 ' HA ' ' CD2' ' A' ' 126' ' ' LEU . 0.7 OUTLIER -69.23 -4.72 18.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 10.0 110.375 179.987 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -105.17 -51.29 3.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 10.0 109.316 -179.99 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 50.3 p -122.83 -34.37 3.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.137 . . . . 10.0 110.395 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . 0.471 ' CA ' ' HA ' ' A' ' 134' ' ' SER . . . 113.9 17.55 7.32 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.452 1.095 . . . . 10.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 139' ' ' ASN . . . . . 0.442 ' O ' ' ND2' ' A' ' 139' ' ' ASN . 13.3 t30 59.72 71.12 0.59 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 0.761 . . . . 10.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . 0.454 ' O ' ' O ' ' A' ' 141' ' ' GLY . . . -172.43 -68.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 10.0 109.315 -179.962 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . 0.558 ' HA2' ' CE1' ' A' ' 120' ' ' HIS . . . 49.83 105.24 0.01 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.527 1.142 . . . . 10.0 111.0 179.983 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 142' ' ' SER . . . . . 0.533 ' CB ' ' CG ' ' A' ' 121' ' ' GLU . 0.4 OUTLIER 178.91 94.56 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.442 0.731 . . . . 10.0 109.979 179.994 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . 0.482 ' HG2' ' CG1' ' A' ' 118' ' ' VAL . 1.0 OUTLIER -77.46 111.05 12.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 10.0 110.308 179.975 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . 0.429 ' O ' ' CB ' ' A' ' 145' ' ' ALA . 0.4 OUTLIER -142.88 146.44 34.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 10.0 109.315 179.979 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . 0.462 ' O ' ' CG2' ' A' ' 118' ' ' VAL . . . 79.49 143.38 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 10.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 146' ' ' CYS . . . . . 0.464 ' HB2' ' CG2' ' A' ' 116' ' ' THR . 6.5 p -155.46 58.26 0.63 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 10.0 108.291 179.975 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 146' ' ' CYS . . . -36.2 -52.84 1.28 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.462 1.101 . . . . 10.0 111.023 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . 0.409 ' O ' ' HA ' ' A' ' 6' ' ' ALA . 4.1 t 63.94 127.86 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.499 0.764 . . . . 10.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 149' ' ' ILE . . . . . 0.462 HD13 ' CD1' ' A' ' 18' ' ' ILE . 21.5 mm -85.83 128.01 39.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 10.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -140.82 113.42 0.86 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.501 1.125 . . . . 10.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 16.2 mm -41.18 139.61 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.522 0.778 . . . . 10.0 109.309 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . 0.518 ' CB ' ' CG2' ' A' ' 5' ' ' VAL . . . -137.03 165.73 25.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 10.0 109.339 179.955 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 10.0 110.268 -179.959 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.8 m . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.4 -0.222 . . . . 10.0 110.4 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.15 139.98 30.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 10.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . 0.495 ' CB ' ' HB2' ' A' ' 20' ' ' PHE . . . -122.63 162.81 21.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.137 . . . . 10.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.4 t -131.46 151.67 35.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 10.0 109.301 179.954 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.478 ' O ' ' CG2' ' A' ' 18' ' ' ILE . . . -155.9 88.8 1.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 10.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.1 m -88.79 112.14 23.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 10.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.472 HD11 ' CG1' ' A' ' 35' ' ' ILE . 0.3 OUTLIER -62.79 117.83 6.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 10.0 109.313 179.99 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -150.32 112.19 4.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 10.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.455 ' O ' ' C ' ' A' ' 11' ' ' ASP . . . -167.21 -103.67 0.17 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.521 1.138 . . . . 10.0 110.986 179.947 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.455 ' C ' ' O ' ' A' ' 10' ' ' GLY . 39.6 t0 -35.86 -46.72 0.47 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 0.779 . . . . 10.0 109.34 -179.97 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 134.69 -63.03 0.61 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.499 1.124 . . . . 10.0 111.022 179.962 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.456 ' O ' ' CG2' ' A' ' 14' ' ' VAL . 18.2 Cg_endo -75.02 46.02 1.46 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.458 1.767 . . . . 10.0 111.004 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.456 ' CG2' ' O ' ' A' ' 13' ' ' PRO . 50.5 t -155.11 59.72 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 10.0 109.329 -180.0 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -90.29 53.28 2.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 10.0 110.312 -179.985 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.474 ' CA ' ' HA ' ' A' ' 35' ' ' ILE . . . -74.55 151.66 43.48 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.471 1.107 . . . . 10.0 111.015 179.979 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 91.6 mt -126.9 96.91 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.479 0.753 . . . . 10.0 109.324 -179.986 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.478 ' CG2' ' O ' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -115.24 150.24 17.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 10.0 109.312 -179.999 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.428 ' OD1' ' C ' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -140.87 169.57 17.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 10.0 109.316 179.996 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.531 ' CE1' ' CD1' ' A' ' 149' ' ' ILE . 6.5 m-85 -123.19 143.08 50.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.095 . . . . 10.0 111.021 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -131.45 139.68 49.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 10.0 110.299 -179.973 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -151.45 88.48 1.43 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.561 1.163 . . . . 10.0 110.311 179.988 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.77 42.57 1.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 10.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.402 ' HB3' ' N ' ' A' ' 27' ' ' GLY . 7.6 mm-40 -155.51 142.41 19.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.562 1.164 . . . . 10.0 110.299 -179.976 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.86 -2.34 58.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 10.0 109.984 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -163.63 35.08 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 10.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.402 ' N ' ' HB3' ' A' ' 24' ' ' GLU . . . -119.27 -167.86 13.84 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.461 1.101 . . . . 10.0 111.004 179.963 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.479 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 18.3 Cg_endo -75.02 176.59 9.71 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.494 1.786 . . . . 10.0 111.003 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 49.1 t -125.02 103.56 12.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 10.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -69.63 96.0 0.91 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 10.0 109.268 -179.97 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.53 HG12 ' CE1' ' A' ' 20' ' ' PHE . 98.3 t -97.53 142.43 14.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 10.0 109.298 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 7.1 p90 -161.03 149.49 16.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 10.0 108.023 179.989 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.438 ' CA ' ' HA ' ' A' ' 18' ' ' ILE . . . -163.46 -169.64 27.22 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.546 1.153 . . . . 10.0 110.963 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.9 m -157.78 121.47 4.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 0.775 . . . . 10.0 110.034 -179.995 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.499 ' CG2' ' N ' ' A' ' 36' ' ' LYS . 0.4 OUTLIER -84.79 167.42 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 10.0 109.29 -179.964 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.499 ' N ' ' CG2' ' A' ' 35' ' ' ILE . 27.8 mttt -155.78 114.61 3.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 10.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.439 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 132.35 -43.94 1.24 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.498 1.124 . . . . 10.0 111.053 -179.966 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.579 HD23 ' CE1' ' A' ' 43' ' ' HIS . 0.3 OUTLIER -55.54 -164.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 0.753 . . . . 10.0 109.333 179.988 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.9 p -142.7 153.06 43.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 10.0 110.417 179.985 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.482 ' HA ' ' CB ' ' A' ' 89' ' ' ALA . 0.6 OUTLIER -51.94 122.33 8.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 10.0 110.292 179.998 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 146.33 158.34 7.72 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.455 1.097 . . . . 10.0 111.012 179.97 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.07 137.88 58.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 0.764 . . . . 10.0 109.278 -179.94 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.579 ' CE1' HD23 ' A' ' 38' ' ' LEU . 23.3 m170 -123.09 162.54 22.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 10.0 109.654 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.578 ' HA3' ' CD2' ' A' ' 120' ' ' HIS . . . -56.01 -169.45 0.08 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.525 1.141 . . . . 10.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.568 ' CZ ' ' HB2' ' A' ' 124' ' ' ASP . 14.1 m-85 -104.23 154.13 20.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 0.753 . . . . 10.0 110.962 -179.974 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.564 ' CE1' HD13 ' A' ' 117' ' ' LEU . 5.0 m-70 -72.99 173.85 8.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 10.0 109.595 179.965 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.431 ' O ' ' O ' ' A' ' 46' ' ' HIS . 5.6 t 59.04 117.61 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 10.0 109.296 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.458 ' ND1' ' O ' ' A' ' 48' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 10.0 109.599 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.026 -0.829 . . . . 10.0 111.026 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -39.89 -57.43 1.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 0.755 . . . . 10.0 109.254 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 80.55 -73.07 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 10.0 109.336 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 168.75 167.42 29.36 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.476 1.11 . . . . 10.0 110.993 179.955 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 11.3 p30 -83.64 137.83 33.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 0.745 . . . . 10.0 109.333 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.419 HG12 ' NE2' ' A' ' 46' ' ' HIS . 16.0 m -94.2 170.45 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 10.0 109.324 -179.976 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 6.4 m -143.0 151.13 40.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.113 . . . . 10.0 110.421 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.482 ' CB ' ' HA ' ' A' ' 40' ' ' GLU . . . -84.28 164.1 19.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.157 . . . . 10.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.453 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 12.5 t0 -72.8 -96.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.433 1.083 . . . . 10.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.453 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 12.9 ptpt -137.13 10.01 3.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 10.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -158.34 25.7 0.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 10.0 109.344 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.479 ' O ' ' N ' ' A' ' 95' ' ' ALA . . . 96.77 -41.71 2.32 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.501 1.126 . . . . 10.0 111.042 -179.959 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.435 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 22.8 t -39.3 96.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.501 0.765 . . . . 10.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.479 ' N ' ' O ' ' A' ' 93' ' ' GLY . . . -95.27 113.7 25.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 10.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -100.33 145.89 27.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 10.0 109.266 -179.961 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.453 HG13 ' CD1' ' A' ' 99' ' ' ILE . 54.1 t -117.55 156.02 19.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 10.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 70.5 p -177.56 84.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 10.0 109.983 179.992 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.453 ' CD1' HG13 ' A' ' 97' ' ' VAL . 1.7 mp -129.96 147.93 33.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 10.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.427 ' N ' HG22 ' A' ' 99' ' ' ILE . 0.2 OUTLIER -121.28 91.08 3.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 10.0 110.304 180.0 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.479 ' O ' ' CB ' ' A' ' 28' ' ' PRO . 0.4 OUTLIER -92.44 133.33 36.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 10.0 109.301 -179.964 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.422 ' CA ' ' HB3' ' A' ' 28' ' ' PRO . 98.1 p -115.81 41.19 2.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 10.0 110.018 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 50.6 t -126.73 -58.65 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 10.0 109.266 -179.91 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.507 ' C ' ' CD1' ' A' ' 104' ' ' ILE . 1.7 pp -52.56 176.38 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 10.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -145.31 145.79 31.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 10.0 110.028 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -52.38 -57.5 9.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 10.0 109.284 -179.972 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.42 84.47 0.98 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.125 . . . . 10.0 110.07 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.607 ' O ' ' CB ' ' A' ' 109' ' ' ASP . . . 147.53 113.98 0.78 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.513 1.133 . . . . 10.0 110.997 -179.966 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.607 ' CB ' ' O ' ' A' ' 108' ' ' GLY . 9.6 t70 90.58 -44.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 0.768 . . . . 10.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . 0.435 ' CB ' ' HA ' ' A' ' 104' ' ' ILE . 75.8 m80 -155.77 52.42 0.57 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 10.0 109.604 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 61.6 p -46.78 115.66 1.12 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.43 1.081 . . . . 10.0 110.049 179.948 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.472 ' CG2' ' HB ' ' A' ' 104' ' ' ILE . 16.9 pt -84.19 -25.63 7.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 10.0 109.27 -179.963 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 48.2 mm -46.55 108.56 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 10.0 109.299 -179.963 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 113.72 16.29 8.15 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.539 1.149 . . . . 10.0 110.974 179.965 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 4.4 mmt85 -97.32 66.23 2.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 0.744 . . . . 10.0 110.325 179.971 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.502 ' HB ' ' CG2' ' A' ' 148' ' ' VAL . 11.2 t -51.99 144.9 10.99 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.111 . . . . 10.0 110.425 -179.976 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.564 HD13 ' CE1' ' A' ' 46' ' ' HIS . 4.5 mm? -106.8 76.75 1.13 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 10.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.471 HG13 ' CG2' ' A' ' 116' ' ' THR . 1.2 m -92.91 175.11 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 10.0 109.344 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.466 ' CG2' HD13 ' A' ' 38' ' ' LEU . 34.8 m -123.24 121.5 63.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 10.0 109.258 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . 0.595 ' CE1' ' O ' ' A' ' 121' ' ' GLU . 0.0 OUTLIER -84.12 113.39 21.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 10.0 109.609 179.964 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.595 ' O ' ' CE1' ' A' ' 120' ' ' HIS . 0.3 OUTLIER -35.95 121.6 0.66 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 10.0 110.324 179.957 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 120' ' ' HIS . 0.0 OUTLIER 72.44 152.11 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.554 1.159 . . . . 10.0 109.335 -179.96 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -91.23 -178.24 5.1 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 10.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.568 ' HB2' ' CZ ' ' A' ' 45' ' ' PHE . 14.1 t0 -88.53 84.95 6.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 10.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . 0.461 ' CB ' ' CG ' ' A' ' 128' ' ' LYS . 0.3 OUTLIER -56.1 -20.43 17.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 10.0 109.252 -179.969 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 8.2 mt 59.13 20.5 8.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 10.0 109.283 179.989 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 161.03 94.55 0.1 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.545 1.153 . . . . 10.0 110.965 179.961 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.461 ' CG ' ' CB ' ' A' ' 125' ' ' ASP . 3.3 mtpm? -118.78 -75.66 0.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 0.75 . . . . 10.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -94.41 -31.86 7.69 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.504 1.127 . . . . 10.0 111.0 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -173.11 -131.03 1.32 Allowed Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.983 -0.847 . . . . 10.0 110.983 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . 0.489 ' O ' ' CG ' ' A' ' 132' ' ' GLU . 7.2 m-80 -139.42 101.59 4.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 0.744 . . . . 10.0 109.252 -179.97 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . 0.489 ' CG ' ' O ' ' A' ' 131' ' ' ASN . 3.9 mt-10 164.5 -29.09 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 10.0 110.326 179.986 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . 0.496 ' CB ' ' OD1' ' A' ' 139' ' ' ASN . 0.1 OUTLIER -95.01 -53.77 3.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 10.0 110.292 179.968 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 26.1 p -81.74 -20.65 38.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 10.0 109.976 -179.992 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 135' ' ' THR . . . . . 0.424 ' OG1' ' CA ' ' A' ' 132' ' ' GLU . 1.8 p -58.09 -25.77 61.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 10.0 110.37 -179.942 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -109.94 -51.13 2.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 10.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 24.4 p -122.89 -123.07 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 10.0 110.394 179.971 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -140.98 42.1 1.21 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.498 1.124 . . . . 10.0 110.999 -179.993 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 139' ' ' ASN . . . . . 0.496 ' OD1' ' CB ' ' A' ' 133' ' ' GLN . 0.4 OUTLIER 40.87 37.81 0.57 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 0.745 . . . . 10.0 109.331 179.994 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . 0.411 ' O ' ' C ' ' A' ' 141' ' ' GLY . . . -141.42 -56.26 0.48 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 10.0 109.294 179.971 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . 0.432 ' H ' ' CE1' ' A' ' 120' ' ' HIS . . . 36.01 65.46 0.49 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.534 1.146 . . . . 10.0 111.01 -179.963 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 142' ' ' SER . . . . . 0.464 ' CB ' ' HB2' ' A' ' 121' ' ' GLU . 0.1 OUTLIER -126.96 86.56 2.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 0.764 . . . . 10.0 110.003 179.987 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.11 177.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 10.0 110.312 179.979 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 87.6 mt -150.5 -72.94 0.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 10.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . 0.417 ' O ' ' HB ' ' A' ' 118' ' ' VAL . . . -106.7 175.71 5.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 10.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 146' ' ' CYS . . . . . 0.463 ' HA ' ' CG1' ' A' ' 118' ' ' VAL . 30.2 p -156.1 72.61 0.77 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 10.0 108.305 179.963 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -48.23 -53.36 15.63 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.471 1.107 . . . . 10.0 110.977 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . 0.502 ' CG2' ' HB ' ' A' ' 116' ' ' THR . 37.5 t 65.32 127.83 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.529 0.782 . . . . 10.0 109.312 -179.962 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 149' ' ' ILE . . . . . 0.531 ' CD1' ' CE1' ' A' ' 20' ' ' PHE . 5.3 mm -68.55 144.1 14.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 10.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -155.29 108.64 0.37 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.474 1.109 . . . . 10.0 110.993 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 14.6 mm -44.89 148.15 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.455 0.738 . . . . 10.0 109.233 -179.959 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -134.55 169.44 17.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 10.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 10.0 110.256 179.996 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.5 m . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.419 -0.215 . . . . 10.0 110.419 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.433 ' CG ' ' O ' ' A' ' 20' ' ' PHE . 8.1 ttmt -121.45 130.7 53.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 10.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . 0.518 ' CB ' ' HB2' ' A' ' 20' ' ' PHE . . . -100.52 159.23 15.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.092 . . . . 10.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.425 HG21 ' CB ' ' A' ' 152' ' ' ALA . 2.0 t -140.75 154.03 21.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 10.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.439 ' CB ' ' O ' ' A' ' 147' ' ' GLY . . . -152.7 91.48 1.56 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 10.0 109.322 -179.981 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.472 HG23 ' CD1' ' A' ' 17' ' ' ILE . 4.5 p -81.61 91.18 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 10.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.473 ' HB2' ' N ' ' A' ' 16' ' ' GLY . 0.5 OUTLIER -39.07 126.37 1.62 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 10.0 109.296 179.991 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 10' ' ' GLY . 0.9 OUTLIER -78.98 -37.34 39.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 10.0 109.293 179.992 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.477 ' CA ' ' HB ' ' A' ' 14' ' ' VAL . . . 59.55 123.13 0.01 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.526 1.141 . . . . 10.0 110.993 179.975 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 10' ' ' GLY . 16.3 t0 -38.02 -31.38 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 0.783 . . . . 10.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -170.06 -63.71 0.04 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.493 1.121 . . . . 10.0 111.022 179.953 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.427 ' O ' ' C ' ' A' ' 14' ' ' VAL . 18.5 Cg_endo -74.94 -58.98 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.52 1.8 . . . . 10.0 111.021 179.97 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.477 ' HB ' ' CA ' ' A' ' 10' ' ' GLY . 36.4 t -37.15 142.27 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.117 . . . . 10.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.463 ' N ' HG12 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -169.0 42.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 10.0 110.302 -179.99 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.473 ' N ' ' HB2' ' A' ' 8' ' ' LEU . . . -59.5 169.48 6.61 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.475 1.109 . . . . 10.0 110.984 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.472 ' CD1' HG23 ' A' ' 7' ' ' VAL . 21.4 mm -141.63 98.29 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.432 0.725 . . . . 10.0 109.3 -179.957 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.423 ' CD1' ' N ' ' A' ' 19' ' ' ASN . 0.4 OUTLIER -114.15 138.84 42.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 10.0 109.308 179.982 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.423 ' N ' ' CD1' ' A' ' 18' ' ' ILE . 0.1 OUTLIER -141.34 149.52 41.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 10.0 109.297 -179.972 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.65 ' CE1' ' CG1' ' A' ' 31' ' ' VAL . 6.8 m-30 -108.75 138.2 45.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 10.0 110.99 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.502 ' HB2' ' CH2' ' A' ' 32' ' ' TRP . 8.9 tp10 -119.68 130.46 55.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 10.0 110.288 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -147.84 65.72 1.11 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 10.0 110.335 179.994 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.5 mttt -75.94 57.49 1.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 10.0 109.266 -179.931 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.495 ' O ' ' CB ' ' A' ' 25' ' ' SER . 1.5 mm-40 -155.2 -44.88 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.152 . . . . 10.0 110.306 -179.982 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 0.4 OUTLIER 85.41 -11.52 0.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 10.0 109.98 179.964 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -157.75 25.94 0.28 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 10.0 109.339 179.981 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -122.27 -152.88 8.73 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.473 1.108 . . . . 10.0 110.967 -179.978 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 146.86 33.13 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.466 1.771 . . . . 10.0 110.947 -179.969 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.445 HG23 ' CD1' ' A' ' 104' ' ' ILE . 28.8 t -106.92 87.9 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 10.0 109.271 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.497 ' O ' ' CZ3' ' A' ' 32' ' ' TRP . 18.0 mttt -63.96 93.0 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 10.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.65 ' CG1' ' CE1' ' A' ' 20' ' ' PHE . 21.8 t -96.25 137.57 23.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 10.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.502 ' CH2' ' HB2' ' A' ' 21' ' ' GLU . 26.4 p90 -160.2 145.45 14.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 10.0 107.987 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -157.99 -173.49 26.48 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.456 1.097 . . . . 10.0 110.966 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.5 t -156.92 123.45 5.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 0.771 . . . . 10.0 110.009 179.965 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.583 HG23 ' CE1' ' A' ' 43' ' ' HIS . 0.0 OUTLIER -84.45 163.57 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.16 . . . . 10.0 109.326 179.968 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.52 ' CG ' ' O ' ' A' ' 35' ' ' ILE . 62.3 mttt -157.44 108.18 2.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.575 1.172 . . . . 10.0 109.26 179.976 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.445 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 144.43 -51.08 0.64 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.492 1.12 . . . . 10.0 111.003 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.568 HD23 ' CE1' ' A' ' 43' ' ' HIS . 1.8 mp -53.46 -170.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 0.769 . . . . 10.0 109.278 -179.957 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 40' ' ' GLU . 39.0 p -136.3 145.62 45.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.09 . . . . 10.0 110.396 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 39' ' ' THR . 10.0 pt-20 -37.76 128.03 1.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 10.0 110.283 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 151.45 -128.93 2.7 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.499 1.124 . . . . 10.0 111.012 179.981 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.6 mp -96.42 177.29 5.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 0.759 . . . . 10.0 109.276 -179.954 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.583 ' CE1' HG23 ' A' ' 35' ' ' ILE . 0.2 OUTLIER -153.33 113.96 4.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 10.0 109.619 179.954 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.506 ' N ' ' CE1' ' A' ' 120' ' ' HIS . . . -62.2 101.28 0.36 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.469 1.106 . . . . 10.0 110.976 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.411 ' O ' ' OD1' ' A' ' 83' ' ' ASP . 30.9 t80 -81.68 61.72 5.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 0.76 . . . . 10.0 110.999 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 22.3 m170 -60.48 174.91 0.5 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.15 . . . . 10.0 109.548 -179.975 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.466 ' CG1' ' O ' ' A' ' 47' ' ' VAL . 47.7 t -154.25 60.29 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 10.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.442 ' ND1' ' O ' ' A' ' 114' ' ' GLY . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 10.0 109.604 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 N-CA-C 111.028 -0.829 . . . . 10.0 111.028 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.484 ' OD1' ' N ' ' A' ' 84' ' ' LEU . 17.5 t0 -48.85 159.48 0.24 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 0.741 . . . . 10.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.484 ' N ' ' OD1' ' A' ' 83' ' ' ASP . 0.3 OUTLIER -107.88 -75.01 0.64 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 10.0 109.34 -179.994 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -155.23 -114.96 0.52 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.53 1.143 . . . . 10.0 110.982 -179.993 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.429 ' N ' ' OD1' ' A' ' 86' ' ' ASN . 0.6 OUTLIER -146.26 157.7 43.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 0.735 . . . . 10.0 109.273 -179.964 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.419 ' O ' ' N ' ' A' ' 43' ' ' HIS . 9.8 t -111.22 173.17 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.095 . . . . 10.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.6 m -120.04 137.2 54.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 10.0 110.439 179.953 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -86.94 175.82 7.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 10.0 109.266 -179.965 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.454 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 14.2 t0 -82.55 -98.0 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 10.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.454 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 22.2 pttt -137.63 10.37 2.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 10.0 109.32 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -153.29 23.14 0.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 10.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.465 ' HA3' ' C ' ' A' ' 38' ' ' LEU . . . 93.21 -35.54 4.07 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.52 1.137 . . . . 10.0 111.007 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.497 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 20.4 t -39.89 104.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.476 0.75 . . . . 10.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -111.24 119.09 37.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 10.0 109.275 179.995 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -112.08 149.58 31.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 10.0 109.311 179.962 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -125.46 161.78 29.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 10.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 29.9 p -169.7 93.91 0.26 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 10.0 109.99 -179.982 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.3 mp -125.36 150.43 30.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 10.0 109.32 -179.985 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.473 ' CG ' ' HG2' ' A' ' 30' ' ' LYS . 0.2 OUTLIER -124.96 86.42 2.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 10.0 110.291 -179.987 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -105.7 144.71 32.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 10.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 89.1 p -118.78 -43.26 2.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 10.0 110.021 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 25.1 t -43.8 -48.49 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 10.0 109.313 179.951 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.512 ' C ' ' CD1' ' A' ' 104' ' ' ILE . 1.7 pp -63.55 177.23 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 10.0 109.255 -179.953 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.43 167.24 23.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 10.0 110.04 180.0 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.455 ' CD2' HD11 ' A' ' 113' ' ' ILE . 9.1 mp -95.06 -34.19 12.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 10.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -144.57 78.59 1.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 10.0 109.993 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -156.58 -105.06 0.22 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.552 1.157 . . . . 10.0 111.026 -179.99 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -109.15 -25.67 10.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 0.782 . . . . 10.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . 0.459 ' CG ' ' HA ' ' A' ' 104' ' ' ILE . 15.7 m80 -94.21 -55.99 3.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 10.0 109.613 -179.988 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 31.1 t 43.03 78.48 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 10.0 110.006 179.957 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -85.64 5.33 2.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 10.0 109.281 -179.948 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.455 HD11 ' CD2' ' A' ' 106' ' ' LEU . 7.5 mm -57.58 122.01 6.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 10.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . 0.442 ' O ' ' ND1' ' A' ' 48' ' ' HIS . . . 104.01 27.95 6.07 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.499 1.124 . . . . 10.0 110.994 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -85.78 60.51 6.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 0.772 . . . . 10.0 110.302 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.564 ' HG1' ' N ' ' A' ' 148' ' ' VAL . 9.1 t -57.17 119.85 7.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 10.0 110.394 -179.96 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.4 tp -88.46 99.11 12.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 10.0 109.325 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.503 ' CG1' ' O ' ' A' ' 145' ' ' ALA . 12.3 m -102.14 65.52 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 10.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.412 ' O ' ' CD1' ' A' ' 144' ' ' LEU . 17.2 m -49.47 152.85 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 10.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . 0.54 ' CE1' ' O ' ' A' ' 122' ' ' LYS . 0.3 OUTLIER -97.29 164.86 12.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 10.0 109.629 179.978 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -90.26 43.34 1.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 10.0 110.273 -179.97 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.54 ' O ' ' CE1' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -171.31 -165.11 0.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 10.0 109.315 179.992 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -111.87 -179.43 3.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 10.0 109.268 -179.984 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -127.96 96.24 4.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 10.0 109.319 180.0 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.49 -9.82 58.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 10.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 9.0 mt 43.88 46.98 6.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 10.0 109.324 -179.989 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -136.63 -130.52 2.9 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.514 1.134 . . . . 10.0 110.991 -179.963 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 130' ' ' GLY . 2.8 mtmt -129.73 -84.09 0.55 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 0.769 . . . . 10.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 67.47 -58.17 0.3 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.519 1.137 . . . . 10.0 111.007 -179.99 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 128' ' ' LYS . . . -107.68 -149.87 15.48 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.996 -0.842 . . . . 10.0 110.996 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 -155.86 132.79 10.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 0.757 . . . . 10.0 109.335 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 76.92 18.06 1.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 10.0 110.292 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . 0.475 ' O ' ' OG1' ' A' ' 137' ' ' THR . 0.0 OUTLIER -141.39 -68.29 0.39 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 10.0 110.357 179.99 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 134' ' ' SER . . . . . 0.444 ' CB ' ' O ' ' A' ' 128' ' ' LYS . 0.9 OUTLIER -75.96 -14.36 60.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 10.0 110.006 179.993 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 75.8 p -79.76 -19.63 48.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 10.0 110.395 179.978 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.449 ' HG3' ' O ' ' A' ' 133' ' ' GLN . 3.8 ptpt -112.26 -24.05 10.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.097 . . . . 10.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 137' ' ' THR . . . . . 0.564 ' OG1' ' N ' ' A' ' 138' ' ' GLY . 31.0 p -121.97 -86.92 0.65 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 10.0 110.413 179.966 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . 0.564 ' N ' ' OG1' ' A' ' 137' ' ' THR . . . 146.91 44.14 0.04 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.484 1.115 . . . . 10.0 111.0 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 2.3 t30 69.83 12.1 7.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 0.795 . . . . 10.0 109.351 -179.957 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . 0.469 ' O ' ' CB ' ' A' ' 122' ' ' LYS . . . -41.84 -72.9 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 10.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 140.35 -115.04 1.02 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.545 1.153 . . . . 10.0 110.996 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.51 137.97 40.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 0.769 . . . . 10.0 109.998 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . 0.431 ' HG2' ' N ' ' A' ' 144' ' ' LEU . 2.6 ttp180 -67.95 135.57 52.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 10.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . 0.431 ' N ' ' HG2' ' A' ' 143' ' ' ARG . 3.4 pp -153.09 171.89 17.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 10.0 109.302 -179.942 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . 0.503 ' O ' ' CG1' ' A' ' 118' ' ' VAL . . . 63.84 163.19 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 10.0 109.325 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 28.6 p -156.02 69.98 0.67 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 10.0 108.341 -179.995 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . 0.439 ' O ' ' CB ' ' A' ' 6' ' ' ALA . . . -83.27 55.71 5.04 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.556 1.16 . . . . 10.0 110.98 -179.973 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . 0.564 ' N ' ' HG1' ' A' ' 116' ' ' THR . 69.6 t -53.12 129.02 13.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 0.763 . . . . 10.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 149' ' ' ILE . . . . . 0.562 HG22 ' CD2' ' A' ' 20' ' ' PHE . 19.4 mm -83.58 107.52 15.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 10.0 109.261 -179.96 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -130.24 136.89 9.15 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.489 1.118 . . . . 10.0 111.028 179.99 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 25.1 mm -51.86 146.02 2.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.552 0.795 . . . . 10.0 109.331 -179.986 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . 0.425 ' CB ' HG21 ' A' ' 5' ' ' VAL . . . -139.28 173.33 11.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 10.0 109.289 -179.941 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.167 . . . . 10.0 110.281 -179.986 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.497 ' O ' ' CG2' ' A' ' 2' ' ' THR . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.421 -0.214 . . . . 10.0 110.421 . . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.9 tmmt? -102.34 106.12 16.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 10.0 109.288 179.994 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . 0.457 ' HB2' ' CG2' ' A' ' 149' ' ' ILE . . . -84.18 175.23 9.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.123 . . . . 10.0 109.315 179.949 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.2 t -143.71 156.83 16.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 10.0 109.278 -180.0 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.484 ' CB ' HG13 ' A' ' 18' ' ' ILE . . . -153.02 93.7 1.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 10.0 109.336 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.456 ' CG1' ' O ' ' A' ' 7' ' ' VAL . 8.2 p -82.39 91.92 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 10.0 109.297 -179.957 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.494 ' HB2' ' N ' ' A' ' 16' ' ' GLY . 2.2 mm? -39.57 126.45 1.86 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 10.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.29 -63.28 1.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 10.0 109.305 179.97 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 65.0 114.79 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.424 1.077 . . . . 10.0 111.013 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -50.07 -22.28 1.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 0.785 . . . . 10.0 109.332 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.498 ' N ' ' CD ' ' A' ' 13' ' ' PRO . . . 164.56 -50.99 0.29 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.48 1.113 . . . . 10.0 111.02 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.498 ' CD ' ' N ' ' A' ' 12' ' ' GLY . 18.3 Cg_endo -75.0 8.29 2.48 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.467 1.772 . . . . 10.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.2 t -138.14 151.3 25.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 10.0 109.311 -179.98 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.08 42.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 10.0 110.269 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.494 ' N ' ' HB2' ' A' ' 8' ' ' LEU . . . -69.29 168.03 45.93 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.47 1.106 . . . . 10.0 111.043 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.402 HG13 ' C ' ' A' ' 16' ' ' GLY . 57.6 mt -142.33 107.87 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.524 0.779 . . . . 10.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.523 HD11 ' CE1' ' A' ' 20' ' ' PHE . 0.7 OUTLIER -97.27 160.15 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 10.0 109.307 179.983 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.434 ' N ' ' ND2' ' A' ' 19' ' ' ASN . 0.0 OUTLIER -142.69 121.44 12.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 10.0 109.281 179.994 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.523 ' CE1' HD11 ' A' ' 18' ' ' ILE . 1.9 m-30 -95.82 102.41 14.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 10.0 110.99 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -108.14 119.58 39.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 10.0 110.292 -179.984 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -117.11 79.39 1.33 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 10.0 110.285 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.2 mttm -74.07 60.24 0.77 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 10.0 109.265 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.498 ' O ' ' CB ' ' A' ' 25' ' ' SER . 0.0 OUTLIER -154.86 -54.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 10.0 110.287 179.97 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 2.6 t 84.92 -9.87 0.84 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 10.0 109.994 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -157.33 25.95 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 10.0 109.333 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -133.64 -150.47 6.29 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.489 1.118 . . . . 10.0 110.987 -179.997 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.5 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 18.2 Cg_endo -75.03 170.49 20.3 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.481 1.78 . . . . 10.0 110.971 -179.964 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 27.7 t -115.75 119.19 61.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 10.0 109.333 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.9 mttm -74.37 93.44 2.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 10.0 109.316 179.977 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 40.8 t -84.65 133.31 29.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 10.0 109.325 179.978 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.472 ' CD1' ' N ' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -167.03 162.68 15.65 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.015 -1.106 . . . . 10.0 108.015 -179.992 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.472 ' N ' ' CD1' ' A' ' 32' ' ' TRP . . . 173.86 -164.61 36.09 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.523 1.139 . . . . 10.0 111.002 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -155.87 121.93 5.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 0.743 . . . . 10.0 110.066 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.49 ' HA ' ' CA ' ' A' ' 16' ' ' GLY . 0.2 OUTLIER -83.54 165.14 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 10.0 109.323 -179.971 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.454 ' HG2' ' O ' ' A' ' 35' ' ' ILE . 36.5 mttt -152.02 118.5 5.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 10.0 109.265 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.466 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 124.95 -38.98 2.19 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.525 1.141 . . . . 10.0 111.019 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.477 ' CD1' HG23 ' A' ' 35' ' ' ILE . 0.2 OUTLIER -52.8 -169.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 0.77 . . . . 10.0 109.295 179.995 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 27.6 p -137.32 149.91 47.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 10.0 110.401 179.965 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.478 ' HA ' ' CB ' ' A' ' 89' ' ' ALA . 0.2 OUTLIER -51.33 112.25 0.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 10.0 110.275 179.999 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.446 ' O ' ' NE2' ' A' ' 43' ' ' HIS . . . 160.17 167.67 21.06 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.492 1.12 . . . . 10.0 111.044 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.3 mt -71.44 151.42 44.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.445 0.732 . . . . 10.0 109.326 -179.992 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.446 ' NE2' ' O ' ' A' ' 41' ' ' GLY . 5.5 m80 -138.01 168.96 18.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 10.0 109.551 -179.938 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.481 ' CA ' ' HB2' ' A' ' 120' ' ' HIS . . . -83.43 -172.65 49.0 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.554 1.159 . . . . 10.0 111.023 179.958 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -78.51 173.66 12.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 0.778 . . . . 10.0 111.01 -179.999 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.572 ' CE1' HD13 ' A' ' 117' ' ' LEU . 0.5 OUTLIER -145.78 66.63 1.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 10.0 109.593 -179.999 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 43.0 t -123.65 113.51 37.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 10.0 109.266 -179.994 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.547 ' ND1' ' CG1' ' A' ' 118' ' ' VAL . 17.9 m80 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 10.0 109.627 179.955 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.482 ' O ' ' C ' ' A' ' 83' ' ' ASP . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 110.999 -0.84 . . . . 10.0 110.999 . . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.482 ' C ' ' O ' ' A' ' 82' ' ' GLY . 1.1 m-20 -34.51 127.9 0.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 0.793 . . . . 10.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.444 HD23 ' CD2' ' A' ' 46' ' ' HIS . 2.3 tt -173.39 -50.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 10.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 118.43 163.53 12.63 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.499 1.124 . . . . 10.0 111.018 -179.997 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -85.24 130.08 34.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 0.729 . . . . 10.0 109.266 -179.939 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 16.4 m -98.53 144.46 11.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 10.0 109.28 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 59.9 m -123.94 152.77 42.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.095 . . . . 10.0 110.434 179.989 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.478 ' CB ' ' HA ' ' A' ' 40' ' ' GLU . . . -84.92 163.03 19.22 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.546 1.154 . . . . 10.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.435 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 11.0 t0 -79.03 -96.14 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 10.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.435 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 2.6 pttt -136.2 9.32 3.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 10.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -153.81 24.83 0.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 10.0 109.318 -179.975 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.462 ' HA2' ' CB ' ' A' ' 89' ' ' ALA . . . 91.32 -35.39 3.95 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.524 1.14 . . . . 10.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.461 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 21.5 t -39.76 98.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.487 0.757 . . . . 10.0 109.276 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 93' ' ' GLY . . . -104.18 115.29 30.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 10.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -107.84 143.63 36.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 10.0 109.323 -179.997 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 38.6 t -115.34 164.58 11.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 10.0 109.314 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 31.2 t -173.07 86.34 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 10.0 109.994 179.989 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.435 ' CG2' ' N ' ' A' ' 100' ' ' GLU . 3.7 mt -133.21 166.35 29.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 10.0 109.262 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.435 ' N ' ' CG2' ' A' ' 99' ' ' ILE . 35.9 tt0 -134.7 98.24 4.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 10.0 110.271 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.5 ' O ' ' CB ' ' A' ' 28' ' ' PRO . 1.1 t70 -92.28 142.64 27.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 10.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 45.2 p -119.5 -41.66 2.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 10.0 109.964 -179.994 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 40.5 t -48.38 -24.33 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 10.0 109.327 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.434 ' C ' ' CD1' ' A' ' 104' ' ' ILE . 1.9 pp -114.66 156.89 15.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 10.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 10.7 t -148.88 160.44 43.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 10.0 109.996 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 3.0 mt -68.07 -24.19 65.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 10.0 109.278 -179.978 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -136.88 175.07 9.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 10.0 110.017 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 101.47 -142.4 15.69 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.547 1.154 . . . . 10.0 110.98 179.992 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -94.0 30.49 1.85 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 0.794 . . . . 10.0 109.257 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 70.1 m80 -131.5 -61.37 0.91 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.138 . . . . 10.0 109.588 179.969 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 15.1 t 52.56 84.96 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 10.0 110.005 179.986 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.449 HD12 ' CE2' ' A' ' 20' ' ' PHE . 12.7 pt -92.47 -4.46 10.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 10.0 109.341 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 18.4 mm -62.13 101.97 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 10.0 109.255 179.99 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 127.31 39.09 0.39 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.495 1.122 . . . . 10.0 110.989 179.983 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.473 ' HB2' ' CG1' ' A' ' 149' ' ' ILE . 5.5 mtp180 -84.61 101.89 12.49 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.526 0.78 . . . . 10.0 110.301 179.996 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.483 ' CG2' ' HB3' ' A' ' 146' ' ' CYS . 93.9 m -71.16 62.78 0.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 10.0 110.373 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.572 HD13 ' CE1' ' A' ' 46' ' ' HIS . 0.7 OUTLIER -41.77 111.62 0.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.158 . . . . 10.0 109.311 179.962 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.547 ' CG1' ' ND1' ' A' ' 48' ' ' HIS . 2.8 p -128.24 105.03 12.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 10.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.473 HG21 ' CD1' ' A' ' 35' ' ' ILE . 20.8 t -56.54 147.71 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 10.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . 0.481 ' HB2' ' CA ' ' A' ' 44' ' ' GLY . 0.5 OUTLIER -85.01 140.59 30.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 10.0 109.546 -179.936 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.7 -49.9 67.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.099 . . . . 10.0 110.293 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -124.4 -163.65 1.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 10.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -107.24 152.08 24.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 10.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -75.72 -4.52 40.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 10.0 109.296 180.0 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 13.2 t0 55.4 31.14 16.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 10.0 109.256 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 9.1 mt 53.61 20.52 2.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 10.0 109.291 179.982 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 100.18 119.96 4.44 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.533 1.146 . . . . 10.0 111.043 -179.94 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.35 -24.23 15.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 0.781 . . . . 10.0 109.347 179.983 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 89.63 38.36 6.61 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 10.0 110.981 179.973 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -83.05 -146.21 6.37 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.063 -0.815 . . . . 10.0 111.063 179.966 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 65.4 m-80 -151.06 134.5 16.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 0.751 . . . . 10.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 51.19 22.62 1.37 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.561 1.163 . . . . 10.0 110.311 179.989 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -138.09 -72.12 0.42 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 10.0 110.281 -180.0 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 10.8 m -78.67 -26.14 44.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 10.0 110.004 -179.986 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 71.6 p -72.48 -6.28 42.65 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.478 1.111 . . . . 10.0 110.384 -179.982 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 16.8 mtmt -120.09 -43.62 2.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 10.0 109.301 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 41.7 p -127.64 -92.37 0.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 10.0 110.377 -179.999 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 177.37 39.84 0.06 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.506 1.129 . . . . 10.0 110.995 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 44.84 34.94 1.31 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 0.771 . . . . 10.0 109.267 179.992 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -152.19 24.66 0.63 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 10.0 109.312 -179.979 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -83.51 94.75 1.82 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.472 1.108 . . . . 10.0 110.978 -179.979 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 142' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 143' ' ' ARG . 0.6 OUTLIER -150.15 93.1 1.96 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 0.749 . . . . 10.0 110.044 179.952 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . 0.401 ' O ' ' O ' ' A' ' 142' ' ' SER . 0.5 OUTLIER -44.82 169.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 10.0 110.248 -179.941 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -168.51 -58.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 10.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -107.1 168.57 9.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 10.0 109.339 179.98 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 146' ' ' CYS . . . . . 0.483 ' HB3' ' CG2' ' A' ' 116' ' ' THR . 68.5 m -155.17 66.47 0.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 10.0 108.29 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . 0.476 ' CA ' ' HA ' ' A' ' 8' ' ' LEU . . . -45.98 -51.81 10.58 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.49 1.119 . . . . 10.0 111.001 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . 0.409 ' HB ' ' O ' ' A' ' 147' ' ' GLY . 2.8 t 66.09 136.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.55 0.794 . . . . 10.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 149' ' ' ILE . . . . . 0.473 ' CG1' ' HB2' ' A' ' 115' ' ' ARG . 5.0 mm -81.24 136.74 22.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 10.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -144.29 99.46 0.22 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.514 1.134 . . . . 10.0 111.003 179.97 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . 0.472 ' CD1' HG23 ' A' ' 2' ' ' THR . 17.2 mm -40.05 138.3 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.471 0.747 . . . . 10.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -126.57 175.25 8.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 10.0 109.312 179.978 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.145 . . . . 10.0 110.292 -179.986 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.423 ' N ' ' HA ' ' A' ' 23' ' ' LYS . . . . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.293 -0.632 . . . . 10.0 109.293 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.0 p -85.14 108.64 17.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 10.0 110.365 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.1 tttp -111.56 88.32 2.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 10.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.48 ' HB2' ' CD1' ' A' ' 149' ' ' ILE . . . -84.85 164.68 18.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 10.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.432 HG22 ' CB ' ' A' ' 152' ' ' ALA . 2.1 t -144.39 155.53 15.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 10.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' A' ' 147' ' ' GLY . . . -155.47 93.45 1.49 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 10.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 58.4 t -81.6 99.58 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 10.0 109.278 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.517 ' HB2' ' CA ' ' A' ' 16' ' ' GLY . 3.6 mm? -46.24 145.34 1.69 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 10.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 17.7 tttt -178.29 136.1 0.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 10.0 109.286 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 11' ' ' ASP . . . 171.55 -95.08 0.1 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.532 1.145 . . . . 10.0 110.964 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 10' ' ' GLY . 53.0 t0 -38.44 -46.04 1.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 0.73 . . . . 10.0 109.266 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 143.95 -60.96 0.51 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.535 1.147 . . . . 10.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -39.05 1.32 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.475 1.776 . . . . 10.0 111.009 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 40.2 t -60.04 92.78 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 10.0 109.276 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -120.5 35.57 4.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 10.0 110.28 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.517 ' CA ' ' HB2' ' A' ' 8' ' ' LEU . . . -45.55 168.93 0.03 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.546 1.153 . . . . 10.0 111.021 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 57.7 mt -142.16 103.6 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.435 0.726 . . . . 10.0 109.323 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.538 ' CD1' ' N ' ' A' ' 19' ' ' ASN . 0.0 OUTLIER -115.41 128.66 72.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 10.0 109.266 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.538 ' N ' ' CD1' ' A' ' 18' ' ' ILE . 0.1 OUTLIER -123.79 145.89 48.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 10.0 109.31 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.539 ' CD1' HG12 ' A' ' 149' ' ' ILE . 5.3 m-85 -114.73 111.86 21.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 10.0 110.975 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -115.11 140.23 49.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 10.0 110.332 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -142.21 62.35 1.43 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 10.0 110.314 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.423 ' HA ' ' N ' ' A' ' 1' ' ' ALA . 18.3 mttt -75.08 59.83 0.98 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 10.0 109.287 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -154.5 139.17 16.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 10.0 110.307 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.3 m -87.32 -12.25 47.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 10.0 109.965 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -152.97 34.31 0.48 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 10.0 109.28 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -123.26 167.9 15.5 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.479 1.112 . . . . 10.0 111.018 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.407 ' HB3' ' N ' ' A' ' 102' ' ' SER . 18.2 Cg_endo -74.98 168.92 23.76 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.516 1.798 . . . . 10.0 111.023 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 37.5 t -89.98 113.56 26.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 10.0 109.268 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.405 ' O ' ' CE3' ' A' ' 32' ' ' TRP . 0.1 OUTLIER -68.85 97.58 0.85 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 10.0 109.291 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.456 HG11 ' CZ ' ' A' ' 20' ' ' PHE . 54.4 t -94.94 124.69 47.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 10.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.405 ' CE3' ' O ' ' A' ' 30' ' ' LYS . 8.0 p90 -159.06 143.2 15.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 10.0 107.982 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -157.23 -168.81 20.3 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.513 1.133 . . . . 10.0 110.982 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 74.0 m -157.0 122.83 4.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 0.772 . . . . 10.0 109.989 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.467 ' HA ' ' CA ' ' A' ' 16' ' ' GLY . 0.1 OUTLIER -83.0 164.8 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 10.0 109.313 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.459 ' HG2' ' O ' ' A' ' 35' ' ' ILE . 16.9 mttt -155.8 105.74 2.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 10.0 109.308 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.455 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 144.04 -45.51 0.87 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.535 1.147 . . . . 10.0 110.966 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.478 ' CD2' ' CG ' ' A' ' 43' ' ' HIS . 0.6 OUTLIER -52.67 -170.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 0.799 . . . . 10.0 109.32 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.461 ' O ' ' N ' ' A' ' 41' ' ' GLY . 12.1 p -139.57 144.21 37.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 10.0 110.357 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -40.42 95.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 10.0 110.277 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 39' ' ' THR . . . -177.48 -160.34 24.03 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.507 1.129 . . . . 10.0 111.018 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 5.4 mp -104.79 136.4 44.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 0.769 . . . . 10.0 109.322 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.521 ' CE1' ' CG2' ' A' ' 87' ' ' VAL . 1.5 p80 -139.46 125.71 20.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 10.0 109.582 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.431 ' HA3' ' CG ' ' A' ' 120' ' ' HIS . . . -37.83 153.99 0.02 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.481 1.113 . . . . 10.0 110.987 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.562 ' CE2' HG13 ' A' ' 87' ' ' VAL . 0.2 OUTLIER -83.68 157.36 22.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 0.724 . . . . 10.0 110.985 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.478 ' CG ' HG23 ' A' ' 47' ' ' VAL . 0.1 OUTLIER -59.76 173.2 0.6 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 10.0 109.602 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.478 HG23 ' CG ' ' A' ' 46' ' ' HIS . 57.3 t 65.24 77.63 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 10.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.436 ' ND1' ' O ' ' A' ' 45' ' ' PHE . 55.2 m80 -157.42 101.14 1.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 10.0 109.593 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -134.4 111.63 10.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 10.0 110.284 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -60.05 -62.56 1.78 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 10.0 110.263 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.482 ' O ' ' CB ' ' A' ' 52' ' ' ASP . 14.1 pt-20 -146.41 176.08 10.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 10.0 110.282 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.482 ' CB ' ' O ' ' A' ' 51' ' ' GLU . 0.5 OUTLIER 156.88 130.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 10.0 109.334 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -136.63 12.31 3.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 10.0 109.289 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.8 t -110.66 -33.09 6.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.16 . . . . 10.0 110.375 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 72.91 116.56 0.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 10.0 109.312 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -112.65 -30.35 2.85 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.524 1.14 . . . . 10.0 111.022 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.401 ' CB ' HG23 ' A' ' 116' ' ' THR . 8.7 m -118.31 -72.33 0.69 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.318 -0.993 . . . . 10.0 108.318 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 68.9 p -114.72 -149.93 0.45 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 10.0 110.411 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.6 t -178.48 111.92 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 10.0 109.969 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -159.63 -56.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.15 . . . . 10.0 109.299 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -176.35 99.64 0.13 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.492 1.12 . . . . 10.0 111.012 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 56.57 4.29 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.483 1.781 . . . . 10.0 110.996 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -154.65 36.95 0.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 10.0 109.562 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.41 ' CD1' ' N ' ' A' ' 64' ' ' PHE . 2.1 m-85 67.82 -149.91 0.16 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 10.0 110.989 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.415 ' N ' ' ND2' ' A' ' 65' ' ' ASN . 0.9 OUTLIER -131.23 149.29 73.26 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 10.0 109.314 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -0.53 10.09 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.494 1.787 . . . . 10.0 110.973 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -80.97 -39.76 25.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 10.0 109.288 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.405 ' O ' ' HB2' ' A' ' 69' ' ' ARG . 88.2 p -93.07 -39.1 11.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 10.0 110.011 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.405 ' HB2' ' O ' ' A' ' 68' ' ' SER . 0.0 OUTLIER 70.51 -60.78 0.49 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 10.0 110.276 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 27.8 mttt -130.7 157.95 41.4 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.447 1.092 . . . . 10.0 109.324 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -40.19 -37.37 0.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 10.0 109.611 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 48.69 -177.18 0.02 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.462 1.101 . . . . 10.0 111.02 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 132.74 -84.98 0.29 Allowed Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.972 -0.851 . . . . 10.0 110.972 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -29.17 8.47 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.522 1.801 . . . . 10.0 110.988 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.39 -27.74 18.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 10.0 109.266 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 53.66 90.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 10.0 109.324 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -115.95 -16.7 11.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 10.0 110.297 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.495 ' O ' ' C ' ' A' ' 79' ' ' ARG . 0.9 OUTLIER 173.89 -68.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 10.0 110.316 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.495 ' C ' ' O ' ' A' ' 78' ' ' GLU . 0.0 OUTLIER 30.9 45.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 10.0 110.286 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -85.73 -13.33 48.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.135 . . . . 10.0 109.579 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.528 ' CG1' ' N ' ' A' ' 82' ' ' GLY . 0.6 OUTLIER -97.75 -157.79 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 10.0 109.301 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.528 ' N ' ' CG1' ' A' ' 81' ' ' VAL . . . -88.4 38.78 3.16 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.475 1.109 . . . . 10.0 111.005 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -123.74 89.06 3.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 0.791 . . . . 10.0 109.325 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -93.28 -73.09 0.57 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.105 . . . . 10.0 109.336 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -177.37 -87.62 0.07 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.476 1.11 . . . . 10.0 110.999 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -148.09 161.47 41.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 0.778 . . . . 10.0 109.325 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.562 HG13 ' CE2' ' A' ' 45' ' ' PHE . 5.1 m -117.58 -156.57 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 10.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -155.05 144.04 20.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.428 1.08 . . . . 10.0 110.392 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.46 ' CB ' ' HA2' ' A' ' 93' ' ' GLY . . . -85.37 175.11 9.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 10.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.431 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 9.1 t70 -82.96 -97.59 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 10.0 109.328 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.431 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 18.1 mtmt -136.25 9.61 3.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 10.0 109.362 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -153.41 23.2 0.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.165 . . . . 10.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.46 ' HA2' ' CB ' ' A' ' 89' ' ' ALA . . . 91.14 -34.29 4.35 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.428 1.08 . . . . 10.0 111.021 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.455 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 19.6 t -39.93 101.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.492 0.76 . . . . 10.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -104.49 116.4 32.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 10.0 109.28 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -105.09 150.26 25.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 10.0 109.312 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 76.9 t -127.39 157.73 38.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 10.0 109.283 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 25.4 p -164.44 100.98 0.82 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 10.0 110.004 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.9 mt -144.11 165.52 13.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 10.0 109.307 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -133.5 107.31 7.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 10.0 110.292 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -103.55 128.1 50.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 10.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.407 ' N ' ' HB3' ' A' ' 28' ' ' PRO . 0.0 OUTLIER -111.89 -43.6 3.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 10.0 110.04 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 75.7 t -48.43 -42.14 11.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 10.0 109.345 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.526 ' C ' ' CD1' ' A' ' 104' ' ' ILE . 1.5 pp -77.8 174.92 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 10.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.42 140.43 15.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.421 1.076 . . . . 10.0 110.027 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -47.31 -45.73 24.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 10.0 109.312 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 12.3 p -143.61 153.18 42.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.429 1.081 . . . . 10.0 110.046 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 131.09 -130.72 6.16 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.486 1.116 . . . . 10.0 111.017 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.8 -42.65 49.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 0.774 . . . . 10.0 109.324 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 40.2 m80 -112.38 63.55 0.63 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 10.0 109.579 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 99.3 p -68.2 110.91 4.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 10.0 109.994 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.437 ' CG2' ' HB ' ' A' ' 104' ' ' ILE . 24.7 pt -88.39 -9.77 10.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 10.0 109.25 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 12.8 mm -64.14 100.38 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.502 1.126 . . . . 10.0 109.232 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 130.23 39.92 0.27 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.51 1.131 . . . . 10.0 110.988 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.432 ' O ' ' N ' ' A' ' 117' ' ' LEU . 14.8 mmm-85 -103.42 94.66 5.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 0.731 . . . . 10.0 110.317 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.401 HG23 ' CB ' ' A' ' 57' ' ' CYS . 57.9 m -58.72 85.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 10.0 110.414 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 115' ' ' ARG . 0.7 OUTLIER -67.77 114.16 6.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 10.0 109.323 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.457 ' CG2' ' N ' ' A' ' 119' ' ' VAL . 2.0 p -135.78 164.59 32.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 10.0 109.304 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.465 ' CG1' HD11 ' A' ' 35' ' ' ILE . 11.9 m -116.91 146.34 21.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 10.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.431 ' CG ' ' HA3' ' A' ' 44' ' ' GLY . 10.5 m170 -84.82 141.68 30.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 10.0 109.605 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.459 ' HB3' ' CB ' ' A' ' 142' ' ' SER . 1.5 tt0 -94.51 67.89 3.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 10.0 110.35 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.47 ' CB ' ' HB1' ' A' ' 140' ' ' ALA . 0.1 OUTLIER 168.27 177.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 10.0 109.304 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -115.77 115.65 26.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 10.0 109.305 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -64.61 -12.2 43.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 10.0 109.303 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 55.55 32.81 19.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 10.0 109.266 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.8 mt 52.33 22.47 2.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 10.0 109.268 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 129.53 128.93 3.08 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.512 1.132 . . . . 10.0 110.992 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.34 -25.11 31.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 0.771 . . . . 10.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 115.61 -46.0 1.22 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.503 1.127 . . . . 10.0 111.008 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -68.18 -162.51 2.27 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 110.979 -0.848 . . . . 10.0 110.979 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . 0.526 ' O ' ' CB ' ' A' ' 132' ' ' GLU . 14.8 p30 -143.63 147.9 35.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 0.747 . . . . 10.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . 0.526 ' CB ' ' O ' ' A' ' 131' ' ' ASN . 7.0 tt0 88.47 31.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 10.0 110.311 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . 0.402 ' O ' ' OG1' ' A' ' 137' ' ' THR . 0.8 OUTLIER -159.82 -64.64 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 10.0 110.344 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 2.2 p -82.76 -12.49 57.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 10.0 110.029 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 61.9 p -79.82 -21.27 44.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 10.0 110.368 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.39 -40.24 4.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 10.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 133' ' ' GLN . 47.0 p -124.04 -105.39 0.36 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 10.0 110.367 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -171.83 40.81 0.17 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.566 1.167 . . . . 10.0 110.966 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 25.9 t30 44.19 64.08 1.42 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 0.764 . . . . 10.0 109.315 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.47 ' HB1' ' CB ' ' A' ' 122' ' ' LYS . . . 177.75 -61.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.117 . . . . 10.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 140' ' ' ALA . . . 35.73 90.08 0.01 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.509 1.131 . . . . 10.0 111.028 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' SER . . . . . 0.459 ' CB ' ' HB3' ' A' ' 121' ' ' GLU . 0.6 OUTLIER -130.86 93.0 3.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 0.744 . . . . 10.0 110.012 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . 0.428 ' NH1' ' HB2' ' A' ' 143' ' ' ARG . 13.4 mtp-105 -71.83 138.51 48.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 10.0 110.307 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 9.6 mt -141.94 -70.44 0.35 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 10.0 109.293 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . 0.486 ' CB ' HD12 ' A' ' 8' ' ' LEU . . . -73.84 172.03 12.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 10.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 5.2 t -156.1 68.88 0.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.117 . . . . 10.0 108.286 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 117' ' ' LEU . . . -80.05 68.18 3.31 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.482 1.114 . . . . 10.0 111.003 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 3.0 t -59.88 136.67 23.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.496 0.762 . . . . 10.0 109.319 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' ILE . . . . . 0.539 HG12 ' CD1' ' A' ' 20' ' ' PHE . 3.4 tp -88.46 113.06 24.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 10.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -131.86 148.22 18.97 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.461 1.101 . . . . 10.0 110.987 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 38.7 mm -59.84 144.01 13.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.479 0.753 . . . . 10.0 109.307 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . 0.432 ' CB ' HG22 ' A' ' 5' ' ' VAL . . . -146.19 169.18 19.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 10.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 10.0 110.259 -179.964 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.43 ' CB ' ' HG2' ' A' ' 23' ' ' LYS . . . . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.313 -0.625 . . . . 10.0 109.313 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.474 ' CG2' HD12 ' A' ' 151' ' ' ILE . 2.9 m -133.46 100.37 4.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 10.0 110.363 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 60.0 tttt -111.97 136.63 51.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.107 . . . . 10.0 109.293 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.485 ' CB ' ' HB2' ' A' ' 20' ' ' PHE . . . -111.93 158.0 20.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 10.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.0 t -138.01 151.3 25.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 10.0 109.318 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.454 ' CB ' ' O ' ' A' ' 147' ' ' GLY . . . -155.27 90.0 1.24 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.424 1.078 . . . . 10.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 28.6 m -81.22 108.16 14.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 10.0 109.294 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.473 ' HB2' ' N ' ' A' ' 16' ' ' GLY . 0.2 OUTLIER -52.12 138.96 24.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 10.0 109.346 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.9 tttt -173.0 117.26 0.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 10.0 109.269 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -171.32 -84.39 0.06 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.493 1.121 . . . . 10.0 111.034 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -40.39 -42.62 1.62 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 0.748 . . . . 10.0 109.342 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 135.95 -61.43 0.62 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.443 1.09 . . . . 10.0 111.052 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -51.04 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.553 1.817 . . . . 10.0 111.02 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.4 p -53.25 101.49 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 10.0 109.284 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.73 50.31 1.63 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 10.0 110.295 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.487 ' CA ' ' HA ' ' A' ' 35' ' ' ILE . . . -56.71 165.36 5.18 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.466 1.104 . . . . 10.0 110.968 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 30.7 mt -140.47 101.8 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 0.75 . . . . 10.0 109.29 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.507 ' C ' ' CD1' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -119.48 138.96 48.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 10.0 109.286 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -128.43 169.05 14.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 10.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.584 ' CZ ' HG23 ' A' ' 31' ' ' VAL . 1.8 m-85 -125.89 133.45 51.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 10.0 111.021 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -123.64 124.56 43.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 10.0 110.289 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -155.15 81.04 1.06 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.108 . . . . 10.0 110.287 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.43 ' HG2' ' CB ' ' A' ' 1' ' ' ALA . 6.3 mtpt -85.53 48.82 1.65 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 10.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.418 ' HB3' ' N ' ' A' ' 27' ' ' GLY . 6.5 mm-40 -155.39 141.63 18.48 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.117 . . . . 10.0 110.279 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.81 -10.51 59.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 10.0 110.004 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 49.8 p30 -154.61 33.42 0.41 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 10.0 109.306 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.418 ' N ' ' HB3' ' A' ' 24' ' ' GLU . . . -111.43 -179.17 20.18 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.484 1.115 . . . . 10.0 111.027 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.462 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 18.2 Cg_endo -75.06 156.86 42.76 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.539 1.81 . . . . 10.0 110.989 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.439 HG13 ' CD2' ' A' ' 20' ' ' PHE . 24.8 t -109.72 97.07 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 10.0 109.278 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 34.9 mttt -66.0 93.49 0.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 10.0 109.301 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.584 HG23 ' CZ ' ' A' ' 20' ' ' PHE . 13.0 t -92.62 138.17 20.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 10.0 109.286 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 7.1 p90 -161.1 152.82 19.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 10.0 108.016 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -169.3 -174.04 37.42 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.556 1.16 . . . . 10.0 110.996 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 25.6 p -157.53 124.97 5.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 0.756 . . . . 10.0 110.003 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.507 ' O ' ' CG ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -84.79 163.16 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 10.0 109.275 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.507 ' CG ' ' O ' ' A' ' 35' ' ' ILE . 26.4 mttm -157.13 106.59 2.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 10.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.406 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 141.19 -39.99 1.38 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.503 1.127 . . . . 10.0 110.941 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.532 HD23 ' CE1' ' A' ' 43' ' ' HIS . 0.3 OUTLIER -54.02 -170.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 0.759 . . . . 10.0 109.325 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.3 p -130.62 136.33 48.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 10.0 110.388 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.21 122.16 1.23 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 10.0 110.282 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.411 ' O ' ' HA ' ' A' ' 88' ' ' THR . . . 155.1 -147.45 16.47 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.449 1.093 . . . . 10.0 111.002 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.456 ' O ' ' ND1' ' A' ' 43' ' ' HIS . 0.3 OUTLIER -102.81 150.7 23.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 0.782 . . . . 10.0 109.284 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.532 ' CE1' HD23 ' A' ' 38' ' ' LEU . 41.3 m-70 -151.28 115.95 5.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 10.0 109.594 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.538 ' CA ' ' HB2' ' A' ' 120' ' ' HIS . . . -71.28 78.23 0.56 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.53 1.144 . . . . 10.0 111.018 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.639 ' CZ ' ' CB ' ' A' ' 117' ' ' LEU . 1.0 OUTLIER -72.92 114.39 11.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.442 0.731 . . . . 10.0 110.981 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.535 ' NE2' ' CD2' ' A' ' 120' ' ' HIS . 13.0 p80 -175.93 176.14 1.85 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 10.0 109.594 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 9.5 t -77.91 160.19 4.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 10.0 109.28 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.603 ' CD2' ' O ' ' A' ' 142' ' ' SER . 0.0 OUTLIER -150.96 170.54 19.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 10.0 109.575 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.585 ' N ' ' CG ' ' A' ' 48' ' ' HIS . 0.1 OUTLIER 170.36 60.71 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.468 1.105 . . . . 10.0 110.282 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -105.73 138.74 41.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.165 . . . . 10.0 110.294 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.405 ' HG3' ' N ' ' A' ' 52' ' ' ASP . 9.3 pt-20 43.63 -153.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 10.0 110.284 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.405 ' N ' ' HG3' ' A' ' 51' ' ' GLU . 0.7 OUTLIER -160.25 114.16 2.18 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.47 1.106 . . . . 10.0 109.338 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 20.2 m-20 -179.38 60.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 10.0 109.312 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.402 ' O ' ' CB ' ' A' ' 55' ' ' ALA . 0.9 OUTLIER -151.95 -51.58 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 10.0 110.429 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.402 ' CB ' ' O ' ' A' ' 54' ' ' THR . . . 169.5 -85.22 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 10.0 109.321 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 134.91 80.6 0.13 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.494 1.121 . . . . 10.0 111.02 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 22.1 p -105.3 20.61 18.58 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.272 -1.01 . . . . 10.0 108.272 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.438 ' O ' ' CB ' ' A' ' 59' ' ' SER . 43.4 p -116.82 -147.07 0.41 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 10.0 110.403 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.438 ' CB ' ' O ' ' A' ' 58' ' ' THR . 2.4 p 164.41 87.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 10.0 110.029 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -170.79 -66.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 10.0 109.299 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 164.49 145.39 4.38 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.477 1.11 . . . . 10.0 111.042 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 56.67 4.32 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.506 1.793 . . . . 10.0 111.03 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -154.4 41.09 0.47 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 10.0 109.573 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 45.72 -158.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 10.0 110.988 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 40.5 m-80 -88.44 157.24 50.3 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 10.0 109.302 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 66.63 6.01 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.511 1.795 . . . . 10.0 111.01 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.46 ' CB ' HG21 ' A' ' 81' ' ' VAL . 0.3 OUTLIER -172.77 -40.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.1 . . . . 10.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.3 p -48.31 97.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.5 1.125 . . . . 10.0 109.963 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.403 ' O ' ' O ' ' A' ' 70' ' ' LYS . 3.9 mtp85 -84.01 18.97 1.88 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 10.0 110.276 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' A' ' 69' ' ' ARG . 32.7 mttp 56.8 163.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 10.0 109.324 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 25.1 m80 66.28 133.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 10.0 109.601 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 145.2 157.43 7.23 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.449 1.093 . . . . 10.0 110.996 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.408 ' HA3' ' HD3' ' A' ' 74' ' ' PRO . . . -173.31 -105.02 0.18 Allowed Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.975 -0.85 . . . . 10.0 110.975 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.408 ' HD3' ' HA3' ' A' ' 73' ' ' GLY . 18.3 Cg_endo -75.02 -64.07 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.445 1.76 . . . . 10.0 111.042 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.92 -29.65 67.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 10.0 109.299 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 54.14 92.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 10.0 109.354 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -114.25 -17.55 11.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 10.0 110.273 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -149.85 -173.82 4.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 10.0 110.296 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.587 HH11 ' N ' ' A' ' 83' ' ' ASP . 2.1 ttt-85 72.47 -75.66 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 10.0 110.313 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 66.74 -67.88 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 10.0 109.58 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.481 ' N ' ' O ' ' A' ' 79' ' ' ARG . 2.6 t -57.41 -72.1 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.12 . . . . 10.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.455 ' C ' ' NH1' ' A' ' 79' ' ' ARG . . . -57.41 -55.87 28.09 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.481 1.113 . . . . 10.0 111.042 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.587 ' N ' HH11 ' A' ' 79' ' ' ARG . 10.3 t0 -51.98 136.24 29.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 0.752 . . . . 10.0 109.27 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 14.3 tp -164.21 47.29 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 10.0 109.277 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 38.58 -157.48 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.496 1.123 . . . . 10.0 110.975 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -127.65 175.71 8.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 0.745 . . . . 10.0 109.323 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 23.6 m -130.33 -164.54 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 10.0 109.331 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.411 ' HA ' ' O ' ' A' ' 41' ' ' GLY . 23.3 m -151.05 138.3 19.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 10.0 110.404 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' A' ' 93' ' ' GLY . . . -84.99 175.08 9.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 10.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.448 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 15.4 t0 -86.95 -98.63 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 10.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.448 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 19.9 pttt -136.9 9.75 3.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 10.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -146.59 18.58 1.32 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 10.0 109.269 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.441 ' HA3' ' C ' ' A' ' 38' ' ' LEU . . . 90.04 -24.62 14.94 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.493 1.121 . . . . 10.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.486 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 15.1 t -48.03 110.39 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.543 0.79 . . . . 10.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -118.15 121.39 40.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 10.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -112.28 152.64 28.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 10.0 109.305 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.418 HG13 ' N ' ' A' ' 98' ' ' SER . 55.7 t -134.37 159.76 41.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 10.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.418 ' N ' HG13 ' A' ' 97' ' ' VAL . 93.2 p -164.48 99.42 0.81 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 10.0 109.968 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 4.3 mt -125.75 146.36 31.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 10.0 109.302 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -131.22 90.34 2.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 10.0 110.285 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.462 ' O ' ' CB ' ' A' ' 28' ' ' PRO . 0.4 OUTLIER -113.03 162.37 15.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 10.0 109.268 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 26.8 p -134.06 31.18 3.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 10.0 110.04 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -105.84 -42.12 6.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 10.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.417 ' HA ' ' CG ' ' A' ' 110' ' ' HIS . 0.0 OUTLIER -70.34 177.31 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 10.0 109.303 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.434 ' O ' ' N ' ' A' ' 112' ' ' ILE . 3.2 m -150.97 146.99 26.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 10.0 109.962 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.413 ' CD1' HG23 ' A' ' 2' ' ' THR . 12.7 mt -62.74 -53.8 48.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 10.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 5.5 t -144.99 68.67 1.24 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 10.0 110.002 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -141.58 -144.28 4.37 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.448 1.092 . . . . 10.0 111.012 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -55.82 -32.13 63.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 0.768 . . . . 10.0 109.292 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . 0.417 ' CG ' ' HA ' ' A' ' 104' ' ' ILE . 10.9 m80 -94.37 -55.8 3.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 10.0 109.607 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 4.5 t 53.39 99.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 10.0 109.97 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.552 ' CD1' ' CE2' ' A' ' 20' ' ' PHE . 1.3 pp -89.96 -26.16 5.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 10.0 109.328 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 18.0 mm -50.25 122.57 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 10.0 109.351 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 107.17 8.02 31.95 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.557 1.16 . . . . 10.0 110.976 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.455 ' O ' ' CD1' ' A' ' 149' ' ' ILE . 18.4 mtt180 -98.13 148.8 23.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 0.801 . . . . 10.0 110.284 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.515 ' HG1' ' N ' ' A' ' 147' ' ' GLY . 8.1 t -142.22 134.72 28.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 10.0 110.392 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.639 ' CB ' ' CZ ' ' A' ' 45' ' ' PHE . 0.3 OUTLIER -90.73 76.55 6.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 10.0 109.332 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.501 ' CG1' ' O ' ' A' ' 145' ' ' ALA . 2.7 t -72.3 99.61 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 10.0 109.279 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.483 ' CG1' HD12 ' A' ' 35' ' ' ILE . 21.1 m -41.61 146.66 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 10.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.538 ' HB2' ' CA ' ' A' ' 44' ' ' GLY . 0.3 OUTLIER -84.52 115.68 22.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 10.0 109.588 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 120' ' ' HIS . 3.5 tm-20 -38.57 -28.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 10.0 110.342 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.486 ' CB ' ' HB3' ' A' ' 140' ' ' ALA . 1.6 ttmt -151.78 155.53 38.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 10.0 109.301 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -50.26 176.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 10.0 109.278 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.408 ' CG ' ' O ' ' A' ' 127' ' ' GLY . 57.0 t0 -138.61 44.9 2.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 10.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 47.11 27.79 0.84 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 10.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 25.6 mt 54.86 19.6 2.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 10.0 109.312 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . 0.408 ' O ' ' CG ' ' A' ' 124' ' ' ASP . . . -175.28 -109.07 0.23 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.506 1.129 . . . . 10.0 111.02 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 44.8 mtmt -123.11 -77.2 0.59 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 0.754 . . . . 10.0 109.264 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 86.13 -38.41 3.07 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.485 1.116 . . . . 10.0 111.011 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -106.32 -155.24 21.05 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.008 -0.837 . . . . 10.0 111.008 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -149.32 143.96 26.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 0.749 . . . . 10.0 109.266 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 51.97 28.14 4.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 10.0 110.292 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -153.29 -78.81 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 10.0 110.328 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' SER . . . . . 0.445 ' HA ' ' CA ' ' A' ' 138' ' ' GLY . 39.8 m -62.65 -22.61 66.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 10.0 110.008 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 23.5 p -68.24 -34.8 76.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 10.0 110.389 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.46 ' O ' ' NH2' ' A' ' 79' ' ' ARG . 16.7 pttt -96.58 -24.44 16.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 10.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' THR . . . . . 0.428 ' OG1' ' N ' ' A' ' 138' ' ' GLY . 81.1 p -136.36 -100.84 0.21 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 10.0 110.416 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 140' ' ' ALA . . . 174.24 36.93 0.04 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.54 1.15 . . . . 10.0 110.96 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . 0.422 ' C ' ' O ' ' A' ' 138' ' ' GLY . 51.4 t30 37.41 32.89 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 0.764 . . . . 10.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.486 ' HB3' ' CB ' ' A' ' 122' ' ' LYS . . . -115.26 -63.15 1.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 10.0 109.334 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 116.71 68.91 0.41 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.474 1.108 . . . . 10.0 111.001 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' SER . . . . . 0.603 ' O ' ' CD2' ' A' ' 48' ' ' HIS . 68.8 p -58.07 101.38 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 0.756 . . . . 10.0 110.017 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . 0.575 ' HG2' ' CE1' ' A' ' 48' ' ' HIS . 6.4 mtt85 -165.19 93.71 0.61 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 10.0 110.271 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.479 ' HB2' ' CG2' ' A' ' 119' ' ' VAL . 5.6 mp -152.94 -103.18 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 10.0 109.27 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . 0.501 ' O ' ' CG1' ' A' ' 118' ' ' VAL . . . -77.14 175.56 9.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 10.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -153.48 68.44 0.79 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 10.0 108.309 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . 0.515 ' N ' ' HG1' ' A' ' 116' ' ' THR . . . -68.27 60.83 0.41 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.498 1.124 . . . . 10.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . 0.47 ' CG2' ' HB ' ' A' ' 116' ' ' THR . 2.9 t -57.41 104.6 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.52 0.776 . . . . 10.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' ILE . . . . . 0.575 HG12 ' CE1' ' A' ' 20' ' ' PHE . 4.2 mp -56.31 122.47 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 10.0 109.267 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -142.72 137.5 7.78 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.514 1.133 . . . . 10.0 110.968 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . 0.474 HD12 ' CG2' ' A' ' 2' ' ' THR . 27.4 mm -52.6 146.87 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.463 0.743 . . . . 10.0 109.312 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -150.22 174.81 12.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 10.0 109.279 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 10.0 110.322 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.434 ' N ' ' HA ' ' A' ' 23' ' ' LYS . . . . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.29 -0.633 . . . . 10.0 109.29 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.456 ' HB ' ' CD2' ' A' ' 106' ' ' LEU . 54.0 m -149.94 166.28 30.1 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.107 . . . . 10.0 110.371 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -115.3 99.24 7.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 10.0 109.304 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.462 ' CB ' ' HB2' ' A' ' 20' ' ' PHE . . . -84.82 169.32 14.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 10.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -148.08 145.34 18.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 10.0 109.358 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.449 ' CB ' HG13 ' A' ' 18' ' ' ILE . . . -138.3 104.72 5.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 10.0 109.306 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 70.2 t -84.3 88.14 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 10.0 109.266 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.529 ' HB2' ' CA ' ' A' ' 16' ' ' GLY . 2.2 mm? -40.7 146.93 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 10.0 109.273 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.44 129.06 0.2 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 10.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.434 ' O ' ' C ' ' A' ' 11' ' ' ASP . . . -178.62 -91.92 0.08 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.485 1.115 . . . . 10.0 111.034 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 10' ' ' GLY . 33.9 t0 -38.11 -36.16 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 0.762 . . . . 10.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 137.04 -64.55 0.57 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.515 1.135 . . . . 10.0 110.983 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.469 ' O ' ' N ' ' A' ' 15' ' ' GLN . 18.3 Cg_endo -75.0 -37.08 2.18 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.5 1.789 . . . . 10.0 110.965 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.49 ' O ' ' CG1' ' A' ' 14' ' ' VAL . 1.9 t -54.9 88.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 10.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 13' ' ' PRO . 0.2 OUTLIER -113.5 35.28 4.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 10.0 110.32 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.529 ' CA ' ' HB2' ' A' ' 8' ' ' LEU . . . -47.29 163.17 0.22 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.46 1.1 . . . . 10.0 110.994 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.406 HG13 ' C ' ' A' ' 16' ' ' GLY . 64.4 mt -142.5 105.98 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.538 0.787 . . . . 10.0 109.25 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.551 ' CD1' ' CD1' ' A' ' 20' ' ' PHE . 0.6 OUTLIER -99.3 159.45 3.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 10.0 109.283 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -144.05 116.76 8.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 10.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.551 ' CD1' ' CD1' ' A' ' 18' ' ' ILE . 1.9 m-30 -95.07 96.45 9.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 10.0 111.014 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -107.61 122.99 47.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 10.0 110.299 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -135.39 59.26 1.73 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 10.0 110.276 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.434 ' HA ' ' N ' ' A' ' 1' ' ' ALA . 8.7 mttt -73.0 63.07 0.64 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 10.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.461 ' O ' ' CB ' ' A' ' 25' ' ' SER . 31.2 mm-40 -132.69 -52.49 0.93 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 10.0 110.339 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.461 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 0.2 OUTLIER 83.39 -10.03 1.01 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 10.0 110.028 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -157.35 26.0 0.3 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 10.0 109.325 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -133.93 -174.43 13.52 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.506 1.129 . . . . 10.0 110.972 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 157.4 42.67 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.535 1.808 . . . . 10.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 24.3 t -88.51 120.64 37.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 10.0 109.343 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.0 tttt -69.79 91.22 0.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 10.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.445 HG21 ' CZ ' ' A' ' 20' ' ' PHE . 92.6 t -88.58 119.23 35.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 10.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -159.67 160.42 34.16 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.03 -1.1 . . . . 10.0 108.03 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.409 ' HA3' ' HA ' ' A' ' 18' ' ' ILE . . . 179.43 -162.84 29.86 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.488 1.117 . . . . 10.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.9 p -156.58 124.17 5.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 0.785 . . . . 10.0 110.043 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.471 ' HA ' ' CA ' ' A' ' 16' ' ' GLY . 0.0 OUTLIER -84.26 166.06 2.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.111 . . . . 10.0 109.293 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.433 ' HG2' ' O ' ' A' ' 35' ' ' ILE . 12.0 mttt -152.05 96.36 2.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 10.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.448 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 148.77 -34.14 1.14 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.456 1.098 . . . . 10.0 111.015 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.565 ' CD1' ' CG ' ' A' ' 43' ' ' HIS . 0.2 OUTLIER -53.04 -170.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 0.742 . . . . 10.0 109.319 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.416 ' O ' ' N ' ' A' ' 41' ' ' GLY . 20.4 p -137.43 142.82 41.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 10.0 110.425 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -39.04 98.22 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.142 . . . . 10.0 110.348 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 39' ' ' THR . . . 161.76 176.59 34.01 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.484 1.115 . . . . 10.0 110.972 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -74.72 146.45 42.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 0.775 . . . . 10.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.565 ' CG ' ' CD1' ' A' ' 38' ' ' LEU . 7.5 p80 -153.25 151.14 29.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.401 1.063 . . . . 10.0 109.61 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -82.25 159.45 39.16 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.528 1.142 . . . . 10.0 111.021 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.58 ' CZ ' ' HB3' ' A' ' 117' ' ' LEU . 58.3 t80 -169.03 97.45 0.36 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.428 0.722 . . . . 10.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.458 ' CE1' ' HB3' ' A' ' 48' ' ' HIS . 7.6 p80 -167.42 175.56 7.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 10.0 109.566 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.566 HG13 ' CD2' ' A' ' 64' ' ' PHE . 3.5 t -95.11 109.58 22.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 10.0 109.299 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.459 ' ND1' ' O ' ' A' ' 48' ' ' HIS . 0.0 OUTLIER -151.94 105.22 3.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 10.0 109.575 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -149.22 109.34 4.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 10.0 110.258 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.409 ' O ' ' O ' ' A' ' 62' ' ' PRO . 0.1 OUTLIER -55.91 -87.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 10.0 110.267 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -113.8 -82.87 0.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 10.0 110.287 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 59.34 79.85 0.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 10.0 109.289 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -111.38 62.77 0.61 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 10.0 109.247 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.471 ' O ' ' CB ' ' A' ' 55' ' ' ALA . 2.6 t -144.22 -45.58 0.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 10.0 110.393 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.471 ' CB ' ' O ' ' A' ' 54' ' ' THR . . . 165.6 118.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 10.0 109.346 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.403 ' C ' ' SG ' ' A' ' 57' ' ' CYS . . . -155.69 56.9 0.4 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.516 1.135 . . . . 10.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.403 ' SG ' ' C ' ' A' ' 56' ' ' GLY . 0.8 OUTLIER 74.17 -65.65 0.34 Allowed 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.304 -0.998 . . . . 10.0 108.304 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 34.8 p -144.7 -147.15 0.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 10.0 110.42 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -145.67 -67.96 0.29 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.12 . . . . 10.0 110.001 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . 63.26 -80.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 10.0 109.31 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 59' ' ' SER . . . -153.81 111.12 0.48 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.544 1.153 . . . . 10.0 111.011 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.409 ' O ' ' O ' ' A' ' 50' ' ' GLU . 18.3 Cg_endo -74.95 69.35 5.53 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.525 1.803 . . . . 10.0 111.041 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.413 ' O ' ' OD1' ' A' ' 65' ' ' ASN . 0.6 OUTLIER -155.4 -63.88 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 10.0 109.618 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.566 ' CD2' HG13 ' A' ' 47' ' ' VAL . 22.6 m-85 40.06 56.05 2.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 10.0 110.972 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.467 ' OD1' ' CG2' ' A' ' 81' ' ' VAL . 75.1 m-20 -131.18 67.87 81.05 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 10.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.463 ' O ' ' CB ' ' A' ' 67' ' ' LEU . 18.4 Cg_endo -74.99 86.54 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.463 1.77 . . . . 10.0 111.029 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.491 ' CD2' ' HD2' ' A' ' 69' ' ' ARG . 0.2 OUTLIER 85.14 -47.75 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 10.0 109.25 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.46 ' O ' ' CB ' ' A' ' 69' ' ' ARG . 37.9 m 58.21 -102.87 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 10.0 109.978 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.491 ' HD2' ' CD2' ' A' ' 67' ' ' LEU . 0.0 OUTLIER 82.19 -43.61 0.15 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 10.0 110.308 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.401 ' HB3' ' O ' ' A' ' 69' ' ' ARG . 5.9 ttpp 67.97 146.65 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 10.0 109.286 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.538 ' CG ' ' O ' ' A' ' 71' ' ' HIS . 0.1 OUTLIER 58.45 90.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 10.0 109.622 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -108.35 -78.68 1.1 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.532 1.145 . . . . 10.0 111.015 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -163.16 -117.51 0.42 Allowed Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.999 -0.84 . . . . 10.0 110.999 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -68.74 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.509 1.794 . . . . 10.0 111.014 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 11.6 mtpt -102.34 -46.66 4.73 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.118 . . . . 10.0 109.321 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.439 ' N ' ' OD1' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -177.69 94.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 10.0 109.27 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -85.43 -14.88 44.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 10.0 110.3 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -121.81 -83.08 0.66 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 10.0 110.289 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.44 ' O ' ' C ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER 170.6 39.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.108 . . . . 10.0 110.273 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.458 ' O ' ' C ' ' A' ' 81' ' ' VAL . 20.7 p80 -37.08 134.88 0.51 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 10.0 109.576 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.467 ' CG2' ' OD1' ' A' ' 65' ' ' ASN . 7.2 p -36.18 98.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 10.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 80' ' ' HIS . . . 131.97 -24.32 4.05 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.571 1.169 . . . . 10.0 110.958 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.467 ' O ' ' CD1' ' A' ' 84' ' ' LEU . 9.1 p-10 36.59 82.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 0.784 . . . . 10.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.467 ' CD1' ' O ' ' A' ' 83' ' ' ASP . 0.0 OUTLIER 172.18 114.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 10.0 109.312 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -54.4 -167.16 0.03 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.493 1.121 . . . . 10.0 110.982 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 64.6 m-20 -94.02 163.32 13.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 0.774 . . . . 10.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.5 t -127.63 167.93 21.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 10.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 92.7 m -139.96 150.67 44.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 10.0 110.408 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.486 ' HB2' ' CA ' ' A' ' 93' ' ' GLY . . . -87.6 164.43 16.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 10.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.437 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 5.6 t70 -79.65 -94.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 10.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.513 ' CG ' ' O ' ' A' ' 91' ' ' LYS . 11.9 tttt -139.47 12.99 2.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 10.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -152.84 22.9 0.58 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.085 . . . . 10.0 109.269 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.486 ' CA ' ' HB2' ' A' ' 89' ' ' ALA . . . 93.1 -35.57 4.05 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.48 1.112 . . . . 10.0 111.033 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.432 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 55.6 t -41.55 108.74 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 0.766 . . . . 10.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -114.53 118.36 33.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.116 . . . . 10.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -102.06 146.21 28.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.138 . . . . 10.0 109.308 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 30.6 t -114.5 163.58 11.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 10.0 109.345 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 90.6 p -168.34 96.06 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 10.0 110.02 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.8 mt -143.56 159.25 16.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.497 1.123 . . . . 10.0 109.304 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -122.0 105.18 10.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.136 . . . . 10.0 110.259 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -84.35 109.46 17.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.453 1.095 . . . . 10.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 62.9 p -92.82 -7.08 47.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 10.0 109.95 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 77.1 t -86.48 -84.03 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 10.0 109.311 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.531 ' C ' ' CD1' ' A' ' 104' ' ' ILE . 1.7 pp -57.58 173.91 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 10.0 109.269 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 20.2 p 179.98 179.86 0.51 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.559 1.162 . . . . 10.0 110.004 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.456 ' CD2' ' HB ' ' A' ' 2' ' ' THR . 0.9 OUTLIER -99.01 48.76 0.96 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 10.0 109.274 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.465 ' O ' ' N ' ' A' ' 109' ' ' ASP . 0.3 OUTLIER -105.68 60.97 0.66 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 10.0 109.992 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.473 ' O ' ' CB ' ' A' ' 111' ' ' SER . . . 52.52 -87.52 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.511 1.132 . . . . 10.0 111.0 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 107' ' ' SER . 0.3 OUTLIER -55.43 -34.63 64.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 0.745 . . . . 10.0 109.333 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . 0.464 ' O ' ' C ' ' A' ' 111' ' ' SER . 12.4 m80 -84.53 -16.76 41.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 10.0 109.572 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.473 ' CB ' ' O ' ' A' ' 108' ' ' GLY . 76.3 p -33.52 116.96 0.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 10.0 110.008 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.493 ' CG2' ' HB ' ' A' ' 104' ' ' ILE . 0.1 OUTLIER -85.97 -12.81 11.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 10.0 109.304 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' A' ' 112' ' ' ILE . 34.8 mm -40.07 113.77 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 10.0 109.327 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 116.63 20.66 4.94 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.556 1.16 . . . . 10.0 111.019 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.427 ' HB3' ' CD2' ' A' ' 117' ' ' LEU . 0.0 OUTLIER -84.72 106.95 16.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 0.78 . . . . 10.0 110.261 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.492 ' CG2' ' HB3' ' A' ' 146' ' ' CYS . 5.4 m -89.98 83.0 6.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 10.0 110.419 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.58 ' HB3' ' CZ ' ' A' ' 45' ' ' PHE . 2.7 mm? -71.09 76.6 0.68 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 10.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.461 HG11 ' CB ' ' A' ' 143' ' ' ARG . 2.7 t -66.97 139.47 21.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 10.0 109.271 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.477 ' CG1' HD11 ' A' ' 8' ' ' LEU . 1.9 m -99.64 133.17 43.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 10.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.416 ' ND1' ' HA2' ' A' ' 141' ' ' GLY . 10.6 m-70 -91.3 140.71 29.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 10.0 109.613 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -46.87 -25.99 0.88 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 10.0 110.278 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 3.1 tttp -145.29 -171.89 3.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 10.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.423 ' HB2' ' N ' ' A' ' 43' ' ' HIS . . . -111.82 -166.07 1.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 10.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.415 ' C ' ' N ' ' A' ' 126' ' ' LEU . 4.9 t70 -101.16 5.1 42.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 10.0 109.262 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 48.12 24.06 0.6 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 10.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.415 ' N ' ' C ' ' A' ' 124' ' ' ASP . 7.5 mt 59.89 15.8 5.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.117 . . . . 10.0 109.295 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 172.32 -46.75 0.17 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.483 1.115 . . . . 10.0 111.03 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 129' ' ' GLY . 0.0 OUTLIER 49.48 23.64 0.94 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 0.799 . . . . 10.0 109.278 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . 0.426 ' C ' ' O ' ' A' ' 128' ' ' LYS . . . 35.73 45.32 0.76 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.492 1.12 . . . . 10.0 110.972 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -133.89 160.63 24.14 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.047 -0.821 . . . . 10.0 111.047 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -138.55 134.09 33.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 0.777 . . . . 10.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 73.05 7.66 5.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.567 1.167 . . . . 10.0 110.292 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -132.7 -66.66 0.67 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 10.0 110.285 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' SER . . . . . 0.418 ' HA ' ' CA ' ' A' ' 138' ' ' GLY . 95.0 p -83.98 -23.57 30.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 10.0 110.007 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.2 p -66.65 -16.4 64.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 10.0 110.391 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 3.0 pttt -109.06 -46.08 3.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 10.0 109.292 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 19.5 p -117.88 -82.05 0.63 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 10.0 110.408 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . 0.418 ' CA ' ' HA ' ' A' ' 134' ' ' SER . . . 160.85 42.68 0.02 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.498 1.124 . . . . 10.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 39.45 33.07 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 0.766 . . . . 10.0 109.334 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.4 ' N ' ' C ' ' A' ' 138' ' ' GLY . . . -154.49 24.89 0.46 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 10.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . 0.416 ' HA2' ' ND1' ' A' ' 120' ' ' HIS . . . -80.52 81.34 1.58 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.498 1.124 . . . . 10.0 111.027 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' SER . . . . . 0.409 ' O ' ' O ' ' A' ' 143' ' ' ARG . 4.9 t -111.3 -14.82 13.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 0.786 . . . . 10.0 109.964 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . 0.461 ' CB ' HG11 ' A' ' 118' ' ' VAL . 6.5 mtm180 60.69 132.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 10.0 110.288 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.443 ' O ' ' CB ' ' A' ' 145' ' ' ALA . 0.4 OUTLIER -170.08 58.44 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 10.0 109.329 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . 0.443 ' CB ' ' O ' ' A' ' 144' ' ' LEU . . . 166.57 149.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 10.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' CYS . . . . . 0.492 ' HB3' ' CG2' ' A' ' 116' ' ' THR . 9.0 m -155.01 60.51 0.65 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.095 . . . . 10.0 108.304 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . 0.424 ' CA ' ' HA ' ' A' ' 8' ' ' LEU . . . -43.89 -51.14 7.18 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.483 1.115 . . . . 10.0 111.0 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 2.3 t 65.56 123.88 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.487 0.757 . . . . 10.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 1.8 mp -79.01 129.46 37.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 10.0 109.256 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -132.83 152.44 20.31 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.512 1.132 . . . . 10.0 110.941 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 45.3 mm -69.45 133.21 32.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.541 0.789 . . . . 10.0 109.294 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -90.88 174.62 7.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.109 . . . . 10.0 109.315 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 3.7 pp0? . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 10.0 110.243 -179.972 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 22' ' ' GLN . . . . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.329 -0.619 . . . . 10.0 109.329 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.485 ' CG2' HD12 ' A' ' 151' ' ' ILE . 94.4 m -101.73 112.54 25.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 10.0 110.356 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.44 ' O ' ' CB ' ' A' ' 152' ' ' ALA . 4.6 tttt -87.61 110.35 20.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 10.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.467 ' HB2' ' CG2' ' A' ' 149' ' ' ILE . . . -93.09 167.61 11.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 10.0 109.345 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -144.59 141.43 23.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 10.0 109.3 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.482 ' CB ' HG13 ' A' ' 18' ' ' ILE . . . -134.56 105.76 6.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 10.0 109.286 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.3 p -83.59 96.96 4.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 10.0 109.277 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.482 ' HB2' ' N ' ' A' ' 16' ' ' GLY . 0.3 OUTLIER -43.21 145.24 0.56 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.113 . . . . 10.0 109.238 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 29.2 tttt -166.31 117.51 1.0 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.084 . . . . 10.0 109.346 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 11' ' ' ASP . . . -154.1 -107.55 0.3 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.492 1.12 . . . . 10.0 110.95 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.426 ' C ' ' OD1' ' A' ' 11' ' ' ASP . 3.8 t0 -38.87 -59.19 0.99 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 0.747 . . . . 10.0 109.332 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.483 ' N ' ' CD ' ' A' ' 13' ' ' PRO . . . 165.53 -52.3 0.27 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.45 1.093 . . . . 10.0 111.05 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.483 ' CD ' ' N ' ' A' ' 12' ' ' GLY . 18.4 Cg_endo -74.99 -26.43 10.94 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.498 1.789 . . . . 10.0 111.022 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 34.8 t -66.4 89.07 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 10.0 109.28 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -116.82 31.21 6.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 10.0 110.322 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.482 ' N ' ' HB2' ' A' ' 8' ' ' LEU . . . -46.66 162.54 0.18 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.448 1.092 . . . . 10.0 110.97 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 36.5 mt -140.64 102.87 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 0.769 . . . . 10.0 109.321 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.482 HG13 ' CB ' ' A' ' 6' ' ' ALA . 0.8 OUTLIER -96.5 162.02 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 10.0 109.278 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -142.01 119.46 11.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 10.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.446 ' CD1' ' CD1' ' A' ' 18' ' ' ILE . 1.6 m-85 -95.0 108.52 20.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 10.0 111.037 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.09 121.36 44.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.1 . . . . 10.0 110.332 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 1' ' ' ALA . 5.3 tt0 -123.05 71.92 1.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 10.0 110.323 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.421 ' HA ' ' N ' ' A' ' 1' ' ' ALA . 3.7 mttt -72.12 61.46 0.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.107 . . . . 10.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.504 ' O ' ' CB ' ' A' ' 25' ' ' SER . 0.6 OUTLIER -155.87 -47.03 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 10.0 110.316 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 2.6 t 85.15 -12.52 0.7 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 10.0 110.014 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 41.6 p30 -159.22 26.89 0.2 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 10.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -125.47 -150.67 7.79 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.521 1.138 . . . . 10.0 111.013 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.475 ' HB3' ' CA ' ' A' ' 102' ' ' SER . 18.1 Cg_endo -75.0 165.23 31.75 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.51 1.795 . . . . 10.0 110.984 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.444 ' O ' ' N ' ' A' ' 31' ' ' VAL . 43.4 t -113.11 99.18 8.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 10.0 109.273 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.4 mttt -52.62 92.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 10.0 109.277 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.444 ' N ' ' O ' ' A' ' 29' ' ' VAL . 97.2 t -84.87 127.07 40.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 10.0 109.299 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.482 ' CD1' ' N ' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -162.46 163.35 27.63 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.979 -1.119 . . . . 10.0 107.979 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.482 ' N ' ' CD1' ' A' ' 32' ' ' TRP . . . 168.74 -164.59 38.19 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.523 1.139 . . . . 10.0 111.006 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 88.0 p -157.2 120.21 4.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 0.776 . . . . 10.0 109.991 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.477 HG22 ' CD1' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -83.97 167.93 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 10.0 109.286 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.469 ' N ' ' CG2' ' A' ' 35' ' ' ILE . 15.5 mttt -153.92 115.85 4.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 10.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.472 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 127.23 -39.52 1.93 Allowed Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.543 1.152 . . . . 10.0 111.03 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.569 HD22 ' CE1' ' A' ' 43' ' ' HIS . 1.0 OUTLIER -52.63 -169.22 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 0.742 . . . . 10.0 109.301 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 70.2 p -128.15 150.61 49.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 10.0 110.435 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.477 ' O ' ' CG ' ' A' ' 40' ' ' GLU . 7.4 pt-20 -57.07 117.59 4.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 10.0 110.31 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 145.9 158.36 7.69 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.452 1.095 . . . . 10.0 111.002 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.472 ' CD2' ' OG1' ' A' ' 88' ' ' THR . 6.6 mt -51.33 161.34 0.46 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 0.793 . . . . 10.0 109.331 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.569 ' CE1' HD22 ' A' ' 38' ' ' LEU . 80.2 m-70 -142.6 175.28 9.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.137 . . . . 10.0 109.605 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.447 ' C ' ' CD1' ' A' ' 45' ' ' PHE . . . -70.34 -131.83 0.08 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.501 1.126 . . . . 10.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.566 ' N ' ' CD1' ' A' ' 45' ' ' PHE . 1.1 m-85 -139.55 174.37 10.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 0.788 . . . . 10.0 111.008 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.448 ' CE1' HG13 ' A' ' 87' ' ' VAL . 0.0 OUTLIER -107.92 174.31 5.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 10.0 109.589 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.448 ' CG1' ' HB3' ' A' ' 64' ' ' PHE . 15.0 t 71.61 126.79 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 10.0 109.309 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.547 ' CG ' ' O ' ' A' ' 48' ' ' HIS . 14.2 p-80 -171.51 97.5 0.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 10.0 109.599 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.429 ' HB3' ' N ' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -37.49 96.65 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.526 1.141 . . . . 10.0 110.36 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 48' ' ' HIS . 0.3 OUTLIER -59.84 141.83 54.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 10.0 110.301 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.49 -50.7 28.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 10.0 110.289 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.6 t70 51.71 98.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.433 1.083 . . . . 10.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -110.53 -8.32 14.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 10.0 109.305 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.481 ' CG2' ' N ' ' A' ' 55' ' ' ALA . 1.4 t -151.75 -49.57 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 10.0 110.354 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.481 ' N ' ' CG2' ' A' ' 54' ' ' THR . . . 163.96 118.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 10.0 109.3 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -176.9 61.12 0.1 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.481 1.113 . . . . 10.0 111.02 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 77.02 122.05 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.272 -1.01 . . . . 10.0 108.272 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 73.3 p -127.9 -157.0 0.78 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 10.0 110.398 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.3 p -170.63 32.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 10.0 109.978 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . 57.52 17.56 3.99 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.121 . . . . 10.0 109.329 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 138.82 77.23 0.06 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.476 1.11 . . . . 10.0 110.994 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 103.77 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.554 1.818 . . . . 10.0 110.959 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.512 ' O ' ' CG ' ' A' ' 63' ' ' HIS . 16.5 t-80 -148.45 33.04 0.79 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 10.0 109.602 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.508 ' CD1' ' HD3' ' A' ' 115' ' ' ARG . 38.3 m-85 -71.86 60.7 0.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 10.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.49 ' OD1' ' CB ' ' A' ' 68' ' ' SER . 2.5 t30 -126.67 89.69 51.54 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 10.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.431 ' O ' ' HB2' ' A' ' 67' ' ' LEU . 18.4 Cg_endo -74.94 74.93 3.82 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.507 1.793 . . . . 10.0 110.998 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.431 ' HB2' ' O ' ' A' ' 66' ' ' PRO . 0.3 OUTLIER 79.38 -49.55 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 10.0 109.308 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.49 ' CB ' ' OD1' ' A' ' 65' ' ' ASN . 33.0 t 47.64 -102.17 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 10.0 109.946 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.419 ' CG ' ' O ' ' A' ' 67' ' ' LEU . 1.4 mtt180 73.59 -61.82 0.49 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.135 . . . . 10.0 110.34 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.454 ' CB ' ' HG2' ' A' ' 78' ' ' GLU . 0.0 OUTLIER -128.95 154.37 46.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.573 1.171 . . . . 10.0 109.238 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.465 ' CE1' ' O ' ' A' ' 72' ' ' GLY . 5.4 t60 -39.1 -88.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 10.0 109.617 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.465 ' O ' ' CE1' ' A' ' 71' ' ' HIS . . . 85.7 -163.16 36.6 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.523 1.139 . . . . 10.0 110.978 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 147.04 -103.57 0.27 Allowed Glycine 0 CA--C 1.531 1.036 0 N-CA-C 110.977 -0.849 . . . . 10.0 110.977 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -27.55 9.91 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.536 1.808 . . . . 10.0 111.004 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -63.9 -31.68 72.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 10.0 109.255 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 64.26 11.17 6.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.103 . . . . 10.0 109.29 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -87.8 6.18 36.51 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.495 1.122 . . . . 10.0 110.272 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.454 ' HG2' ' CB ' ' A' ' 70' ' ' LYS . 0.4 OUTLIER -169.63 -168.98 0.85 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 10.0 110.299 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.411 ' O ' ' O ' ' A' ' 70' ' ' LYS . 3.9 mpt_? -139.92 142.77 36.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 10.0 110.28 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.552 ' CD2' ' O ' ' A' ' 80' ' ' HIS . 70.2 t60 -95.13 47.91 1.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 10.0 109.574 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.508 ' CG1' ' O ' ' A' ' 80' ' ' HIS . 14.5 p 47.19 35.42 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 10.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -171.46 -38.44 0.03 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.466 1.103 . . . . 10.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 10.7 t70 49.88 96.07 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 0.757 . . . . 10.0 109.311 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -159.53 -81.61 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 10.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 161.54 168.75 23.88 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.507 1.129 . . . . 10.0 110.997 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.561 ' OD1' ' CE2' ' A' ' 45' ' ' PHE . 0.7 OUTLIER -86.88 148.34 25.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.398 0.705 . . . . 10.0 109.286 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.472 ' CG2' ' HB2' ' A' ' 43' ' ' HIS . 4.0 m -109.21 177.3 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 10.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.472 ' OG1' ' CD2' ' A' ' 42' ' ' LEU . 85.7 m -149.9 157.25 42.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 10.0 110.42 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.433 ' CB ' ' HA ' ' A' ' 40' ' ' GLU . . . -99.44 161.03 13.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 10.0 109.267 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.451 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 13.0 t0 -73.74 -97.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 10.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.451 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 8.7 ptmt -138.82 12.63 2.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 10.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -151.08 21.95 0.76 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 10.0 109.257 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.473 ' O ' ' N ' ' A' ' 95' ' ' ALA . . . 91.06 -32.11 5.32 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.506 1.129 . . . . 10.0 110.978 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.437 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 57.9 t -44.54 95.09 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.541 0.789 . . . . 10.0 109.344 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.473 ' N ' ' O ' ' A' ' 93' ' ' GLY . . . -98.61 117.89 34.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 10.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -108.61 146.08 33.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 10.0 109.335 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 33.3 t -115.17 165.32 10.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 10.0 109.283 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.4 p 179.66 75.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 10.0 109.996 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.403 HG21 ' N ' ' A' ' 100' ' ' GLU . 8.7 mt -129.21 168.31 22.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 10.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.403 ' N ' HG21 ' A' ' 99' ' ' ILE . 10.7 mp0 -133.06 102.71 5.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 10.0 110.308 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -99.97 111.72 24.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 10.0 109.292 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.475 ' CA ' ' HB3' ' A' ' 28' ' ' PRO . 11.0 p -97.83 61.7 1.58 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 10.0 109.995 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 53.1 t -138.2 -47.41 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 10.0 109.223 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -82.97 -170.96 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 10.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.7 p 179.9 151.25 0.4 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 10.0 109.977 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.528 ' CD2' ' N ' ' A' ' 106' ' ' LEU . 0.1 OUTLIER -99.9 36.77 1.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 10.0 109.318 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -120.28 176.55 5.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 10.0 110.046 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.58 88.03 0.05 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.466 1.104 . . . . 10.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 165.95 -73.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 0.768 . . . . 10.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 29.4 m80 -108.1 20.35 18.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 10.0 109.568 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 26.2 p -39.02 101.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 10.0 109.983 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.417 HD12 ' N ' ' A' ' 113' ' ' ILE . 0.1 OUTLIER -85.32 -8.12 11.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 10.0 109.291 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.417 ' N ' HD12 ' A' ' 112' ' ' ILE . 40.1 mm -39.81 105.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 10.0 109.337 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 118.13 30.0 1.85 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.509 1.13 . . . . 10.0 110.997 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.508 ' HD3' ' CD1' ' A' ' 64' ' ' PHE . 2.9 mmt-85 -85.07 119.38 25.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 0.746 . . . . 10.0 110.324 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.9 m -80.18 95.02 6.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 10.0 110.343 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.436 ' O ' ' CD1' ' A' ' 8' ' ' LEU . 2.9 mm? -75.28 94.79 3.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 10.0 109.263 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.508 ' CG2' ' O ' ' A' ' 145' ' ' ALA . 12.3 p -113.07 171.14 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 10.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.477 ' CG2' HD11 ' A' ' 144' ' ' LEU . 18.4 m -130.0 -167.62 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 10.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -134.76 154.52 51.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 10.0 109.58 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.418 ' N ' HD23 ' A' ' 144' ' ' LEU . 21.8 tt0 -57.51 -39.64 76.95 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.526 1.141 . . . . 10.0 110.269 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.34 -168.62 2.0 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 10.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -99.31 157.71 16.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 10.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.453 ' OD2' ' NE2' ' A' ' 71' ' ' HIS . 0.4 OUTLIER -83.55 -10.61 58.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 10.0 109.313 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.0 t70 64.81 24.68 12.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.11 . . . . 10.0 109.301 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 13.4 mt 65.21 11.84 7.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.455 1.097 . . . . 10.0 109.334 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 105.7 124.27 5.32 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.493 1.121 . . . . 10.0 111.05 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.478 ' CE ' ' HB3' ' A' ' 139' ' ' ASN . 0.1 OUTLIER -97.87 -38.31 9.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 0.773 . . . . 10.0 109.256 -179.916 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 100.2 11.43 42.37 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.474 1.109 . . . . 10.0 110.928 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -59.18 -150.19 0.01 OUTLIER Glycine 0 CA--C 1.531 1.049 0 N-CA-C 110.977 -0.849 . . . . 10.0 110.977 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -145.04 139.8 27.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 0.798 . . . . 10.0 109.33 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 50.29 22.13 0.93 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 10.0 110.345 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -140.71 -75.14 0.33 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 10.0 110.357 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.55 -13.36 59.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 10.0 109.971 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 30.6 p -81.14 -19.93 42.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 10.0 110.385 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.06 -33.08 6.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 10.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 76.9 p -134.0 -97.58 0.27 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 10.0 110.373 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . 0.432 ' C ' ' N ' ' A' ' 140' ' ' ALA . . . -178.72 35.3 0.08 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.496 1.123 . . . . 10.0 111.022 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . 0.478 ' HB3' ' CE ' ' A' ' 128' ' ' LYS . 7.3 t-20 43.54 27.54 0.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 0.762 . . . . 10.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.432 ' N ' ' C ' ' A' ' 138' ' ' GLY . . . -83.84 -62.53 1.55 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 10.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 176.32 -96.96 0.11 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.487 1.117 . . . . 10.0 110.971 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 6.6 t -173.4 172.98 3.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 0.775 . . . . 10.0 110.007 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -64.58 159.73 21.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 10.0 110.327 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.477 HD11 ' CG2' ' A' ' 119' ' ' VAL . 0.7 OUTLIER -170.97 46.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 10.0 109.299 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . 0.508 ' O ' ' CG2' ' A' ' 118' ' ' VAL . . . 177.55 155.04 0.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 10.0 109.339 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' CYS . . . . . 0.464 ' O ' ' SG ' ' A' ' 146' ' ' CYS . 5.4 t -157.61 61.75 0.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 10.0 108.303 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -49.59 -50.68 30.1 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.523 1.139 . . . . 10.0 110.986 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 3.5 t 64.46 129.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.436 0.727 . . . . 10.0 109.314 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' ILE . . . . . 0.467 ' CG2' ' HB2' ' A' ' 4' ' ' ALA . 19.4 mm -66.98 140.1 19.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 10.0 109.31 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 151' ' ' ILE . . . -141.14 102.55 0.31 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.48 1.113 . . . . 10.0 110.997 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . 0.485 HD12 ' CG2' ' A' ' 2' ' ' THR . 17.4 mm -38.82 123.84 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 0.774 . . . . 10.0 109.23 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . 0.44 ' CB ' ' O ' ' A' ' 3' ' ' LYS . . . -84.89 175.37 9.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 10.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 10.0 110.27 -179.956 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' A' ' 22' ' ' GLN . . . . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.333 -0.617 . . . . 10.0 109.333 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.2 m -98.44 111.1 23.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 10.0 110.424 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.514 ' O ' ' CB ' ' A' ' 152' ' ' ALA . 0.1 OUTLIER -86.2 105.03 16.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 10.0 109.3 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.458 ' HB3' ' CG2' ' A' ' 149' ' ' ILE . . . -89.04 158.27 18.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 10.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.455 HG23 ' CB ' ' A' ' 152' ' ' ALA . 1.8 t -128.7 151.54 35.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 10.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 18' ' ' ILE . . . -149.29 90.17 1.71 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 10.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 33.8 m -83.89 108.02 15.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 10.0 109.304 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.479 ' HB2' ' CA ' ' A' ' 16' ' ' GLY . 4.3 mm? -53.87 140.85 29.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 10.0 109.359 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 39.3 pttt -177.12 130.38 0.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 10.0 109.326 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 171.18 -85.2 0.08 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.462 1.101 . . . . 10.0 111.01 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -41.2 -40.93 1.7 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 0.778 . . . . 10.0 109.334 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.402 ' N ' ' CD ' ' A' ' 13' ' ' PRO . . . 126.29 -56.89 0.71 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.508 1.13 . . . . 10.0 111.008 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.402 ' CD ' ' N ' ' A' ' 12' ' ' GLY . 18.3 Cg_endo -74.98 -27.31 10.17 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.441 1.758 . . . . 10.0 110.989 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.471 ' CG1' ' HB1' ' A' ' 145' ' ' ALA . 24.1 t -81.73 109.17 15.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.128 . . . . 10.0 109.349 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -128.65 37.48 4.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.421 1.076 . . . . 10.0 110.315 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.479 ' CA ' ' HB2' ' A' ' 8' ' ' LEU . . . -53.27 167.15 1.36 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.448 1.092 . . . . 10.0 111.004 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 8.9 mt -145.11 109.72 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.465 0.744 . . . . 10.0 109.326 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.472 HD11 ' CD1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -130.59 142.27 44.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 10.0 109.273 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -122.71 164.57 18.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 10.0 109.302 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.645 ' CD1' ' CD1' ' A' ' 149' ' ' ILE . 1.7 m-85 -130.3 104.97 7.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 10.0 110.982 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 30' ' ' LYS . 15.9 tt0 -115.67 133.92 55.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 10.0 110.284 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.46 ' O ' ' N ' ' A' ' 1' ' ' ALA . 31.7 tt0 -128.51 59.5 1.53 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 10.0 110.273 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.427 ' HA ' ' N ' ' A' ' 1' ' ' ALA . 0.5 OUTLIER -70.76 66.31 0.35 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 10.0 109.276 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.518 ' O ' ' CB ' ' A' ' 25' ' ' SER . 0.7 OUTLIER -144.75 -57.0 0.35 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.558 1.161 . . . . 10.0 110.32 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.518 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 2.6 t 86.23 -14.45 0.52 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 10.0 110.013 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 12.1 m-20 -154.09 24.1 0.49 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 10.0 109.292 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -134.0 -171.13 12.5 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.509 1.131 . . . . 10.0 110.989 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 157.95 42.55 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.547 1.814 . . . . 10.0 110.987 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 47.7 t -87.54 126.85 41.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.102 . . . . 10.0 109.282 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 21' ' ' GLU . 35.0 mttt -78.11 94.77 4.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 10.0 109.306 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.528 HG13 ' CZ ' ' A' ' 20' ' ' PHE . 7.9 t -95.84 127.32 48.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.525 1.14 . . . . 10.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -157.31 156.48 32.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 10.0 108.001 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 177.73 -167.69 38.76 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.557 1.161 . . . . 10.0 110.994 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 64.0 p -156.78 121.15 4.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 0.753 . . . . 10.0 109.969 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.495 ' O ' ' CG ' ' A' ' 36' ' ' LYS . 0.2 OUTLIER -84.4 165.37 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 10.0 109.299 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.495 ' CG ' ' O ' ' A' ' 35' ' ' ILE . 18.8 mttt -156.27 114.92 3.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 10.0 109.318 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.44 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 135.91 -48.53 0.92 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.49 1.119 . . . . 10.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.578 ' CD2' ' CG ' ' A' ' 43' ' ' HIS . 1.1 mp -53.87 -169.21 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.542 0.789 . . . . 10.0 109.295 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.453 ' O ' ' NE2' ' A' ' 43' ' ' HIS . 53.4 p -137.52 145.74 43.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 10.0 110.416 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.446 ' HA ' ' CB ' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -35.83 125.43 0.71 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 10.0 110.292 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 135.04 179.87 16.96 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.551 1.157 . . . . 10.0 110.993 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.9 mp -80.62 155.82 26.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 0.748 . . . . 10.0 109.352 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.578 ' CG ' ' CD2' ' A' ' 38' ' ' LEU . 90.4 m-70 -150.27 75.8 1.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.098 . . . . 10.0 109.564 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.52 ' HA3' ' CG ' ' A' ' 120' ' ' HIS . . . 35.06 -143.31 0.08 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.51 1.131 . . . . 10.0 111.018 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -152.58 159.56 43.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 0.764 . . . . 10.0 111.003 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.491 ' CB ' ' HA ' ' A' ' 117' ' ' LEU . 2.0 p80 -62.58 174.75 0.92 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 10.0 109.648 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.477 ' CG2' ' C ' ' A' ' 46' ' ' HIS . 1.9 t 77.06 71.89 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 10.0 109.274 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.515 ' CE1' ' NE2' ' A' ' 120' ' ' HIS . 41.7 m80 -146.09 131.66 18.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 10.0 109.589 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -48.58 102.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 10.0 110.279 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -69.7 -39.7 76.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 10.0 110.291 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.496 ' O ' ' CB ' ' A' ' 52' ' ' ASP . 2.2 pt-20 39.0 -97.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 10.0 110.251 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.496 ' CB ' ' O ' ' A' ' 51' ' ' GLU . 1.2 t0 81.3 146.86 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 10.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 44.1 m-20 -100.77 43.77 1.04 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 10.0 109.251 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.42 ' O ' ' CB ' ' A' ' 55' ' ' ALA . 9.2 t -142.98 -45.79 0.3 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 10.0 110.439 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.42 ' CB ' ' O ' ' A' ' 54' ' ' THR . . . 168.36 -61.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 10.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 128.01 -100.79 0.54 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.482 1.114 . . . . 10.0 111.015 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -172.28 -66.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.296 -1.002 . . . . 10.0 108.296 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.451 ' O ' ' CB ' ' A' ' 59' ' ' SER . 0.6 OUTLIER -103.79 -65.23 1.03 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 10.0 110.426 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.451 ' CB ' ' O ' ' A' ' 58' ' ' THR . 1.0 OUTLIER 81.93 88.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 10.0 110.025 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -117.81 -68.73 0.9 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 10.0 109.3 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -143.45 68.12 0.44 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.502 1.127 . . . . 10.0 111.022 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 79.96 2.54 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.517 1.798 . . . . 10.0 111.017 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -140.84 23.21 2.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 10.0 109.584 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -83.2 105.17 13.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 10.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 25.1 m-80 -105.76 153.77 39.77 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 10.0 109.298 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -7.62 19.35 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.51 1.795 . . . . 10.0 110.971 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.42 -23.98 67.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 10.0 109.348 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.434 ' HB3' ' N ' ' A' ' 80' ' ' HIS . 0.8 OUTLIER -66.75 -49.23 66.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 10.0 110.031 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.412 ' HD2' ' CB ' ' A' ' 83' ' ' ASP . 0.2 OUTLIER -90.79 61.29 4.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 10.0 110.273 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.494 ' HG2' ' CB ' ' A' ' 78' ' ' GLU . 0.8 OUTLIER -71.79 104.57 3.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 10.0 109.294 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.567 ' CG ' ' O ' ' A' ' 71' ' ' HIS . 1.3 p-80 55.83 107.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 10.0 109.608 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -161.63 -145.82 4.44 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.521 1.138 . . . . 10.0 111.023 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 113.26 -120.26 5.12 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.009 -0.836 . . . . 10.0 111.009 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 59.04 5.1 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.455 1.766 . . . . 10.0 110.97 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 180.0 -38.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 10.0 109.303 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 62.74 92.52 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 10.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.404 ' HG2' ' NE2' ' A' ' 71' ' ' HIS . 5.2 tp10 -115.52 -14.39 11.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 10.0 110.331 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.554 ' O ' ' CB ' ' A' ' 79' ' ' ARG . 0.3 OUTLIER -166.44 156.47 11.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 10.0 110.303 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.554 ' CB ' ' O ' ' A' ' 78' ' ' GLU . 0.4 OUTLIER 154.38 60.95 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 10.0 110.337 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.434 ' N ' ' HB3' ' A' ' 68' ' ' SER . 0.1 OUTLIER -57.73 -16.56 11.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 10.0 109.611 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.9 p -75.93 -36.28 31.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.15 . . . . 10.0 109.347 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 118.36 11.5 8.04 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.475 1.109 . . . . 10.0 111.033 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.412 ' CB ' ' HD2' ' A' ' 69' ' ' ARG . 0.4 OUTLIER -72.37 103.6 3.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 0.752 . . . . 10.0 109.335 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.97 -77.88 0.07 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 10.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.405 ' O ' ' OD1' ' A' ' 86' ' ' ASN . . . -141.25 -113.85 1.05 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.484 1.115 . . . . 10.0 110.954 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.405 ' OD1' ' O ' ' A' ' 85' ' ' GLY . 4.5 m-20 -146.09 166.64 25.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 0.784 . . . . 10.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 6.2 m -107.63 -176.74 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 10.0 109.304 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.9 m -151.84 142.65 22.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 10.0 110.422 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.457 ' CB ' ' HA2' ' A' ' 93' ' ' GLY . . . -85.3 162.49 19.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 10.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.439 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 12.2 t0 -71.17 -96.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 10.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.439 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -136.16 8.85 3.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 10.0 109.276 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -157.47 26.31 0.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 10.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.457 ' HA2' ' CB ' ' A' ' 89' ' ' ALA . . . 97.89 -43.85 1.89 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.546 1.154 . . . . 10.0 110.986 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.464 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 20.5 t -38.37 102.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.468 0.746 . . . . 10.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -103.79 117.1 33.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 10.0 109.335 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -98.07 150.45 21.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 10.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 80.2 t -120.52 155.67 23.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 10.0 109.319 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.6 t -179.74 78.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 10.0 110.008 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 9.6 mt -136.01 170.59 18.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.418 1.074 . . . . 10.0 109.35 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -127.15 104.89 8.21 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 10.0 110.278 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -84.95 111.0 19.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 10.0 109.275 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 83.6 p -91.46 9.88 30.03 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.532 1.145 . . . . 10.0 110.012 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 25.4 t -104.41 -80.88 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.093 . . . . 10.0 109.32 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 2.8 pp -53.99 164.31 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 10.0 109.302 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.49 172.34 6.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 10.0 110.044 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 3.5 mp -97.8 40.73 1.15 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 10.0 109.282 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 25.2 m -111.22 169.67 8.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 10.0 110.015 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -78.05 52.98 3.73 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.511 1.132 . . . . 10.0 110.983 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -153.12 -51.91 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 0.765 . . . . 10.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . 0.404 ' O ' ' O ' ' A' ' 111' ' ' SER . 25.4 m80 -95.6 -52.43 4.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 10.0 109.574 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.404 ' O ' ' O ' ' A' ' 110' ' ' HIS . 1.0 OUTLIER 54.74 106.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 10.0 110.021 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.403 HD13 ' CD2' ' A' ' 20' ' ' PHE . 0.6 OUTLIER -86.16 -34.64 8.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.163 . . . . 10.0 109.3 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 22.6 mm -41.17 130.9 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 10.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 93.96 -0.2 66.72 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.512 1.133 . . . . 10.0 110.976 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 2.6 mmm180 -92.11 59.26 3.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 0.745 . . . . 10.0 110.353 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.482 ' HB ' ' CG2' ' A' ' 148' ' ' VAL . 5.8 t -46.0 152.13 0.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 10.0 110.379 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.491 ' HA ' ' CB ' ' A' ' 46' ' ' HIS . 0.7 OUTLIER -104.6 61.59 0.71 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 10.0 109.339 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.468 HG12 ' CG2' ' A' ' 116' ' ' THR . 22.0 m -71.32 171.7 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 10.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.474 ' O ' ' N ' ' A' ' 144' ' ' LEU . 5.5 m -141.43 158.51 22.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 10.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.52 ' CG ' ' HA3' ' A' ' 44' ' ' GLY . 7.6 m170 -84.97 169.8 13.67 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.465 1.103 . . . . 10.0 109.606 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.65 -22.6 37.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 10.0 110.299 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.445 ' HB3' ' CB ' ' A' ' 140' ' ' ALA . 3.3 tmtt? -155.48 163.47 39.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 10.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -49.96 169.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 10.0 109.283 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.485 ' CB ' ' HA3' ' A' ' 138' ' ' GLY . 4.7 p-10 169.7 82.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 10.0 109.239 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 126' ' ' LEU . 0.2 OUTLIER 179.1 -41.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 10.0 109.321 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.424 ' C ' ' O ' ' A' ' 125' ' ' ASP . 0.3 OUTLIER -38.76 -54.75 1.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 10.0 109.302 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 117.76 74.1 0.48 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.516 1.135 . . . . 10.0 111.042 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 1.4 pttm -55.17 -23.57 22.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 0.779 . . . . 10.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 161.26 -28.67 0.3 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.51 1.131 . . . . 10.0 110.992 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 102.03 111.6 3.5 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.976 -0.85 . . . . 10.0 110.976 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . 0.545 ' O ' ' N ' ' A' ' 135' ' ' THR . 0.7 OUTLIER -145.88 151.26 37.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 0.754 . . . . 10.0 109.357 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -38.64 -29.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 10.0 110.347 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 131' ' ' ASN . 0.0 OUTLIER -90.01 -52.0 5.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 10.0 110.308 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' SER . . . . . 0.415 ' O ' ' N ' ' A' ' 137' ' ' THR . 2.3 t -64.13 -51.15 65.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 10.0 109.963 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' THR . . . . . 0.545 ' N ' ' O ' ' A' ' 131' ' ' ASN . 0.6 OUTLIER -45.16 -24.86 0.29 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 10.0 110.443 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.403 ' N ' ' C ' ' A' ' 134' ' ' SER . 0.6 OUTLIER -103.16 -30.26 10.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 10.0 109.306 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' THR . . . . . 0.415 ' N ' ' O ' ' A' ' 134' ' ' SER . 75.9 p -137.41 -100.47 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 10.0 110.34 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . 0.485 ' HA3' ' CB ' ' A' ' 124' ' ' ASP . . . 173.17 39.64 0.04 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.511 1.132 . . . . 10.0 111.011 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 34.0 t-20 57.88 18.55 5.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 0.793 . . . . 10.0 109.274 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.445 ' CB ' ' HB3' ' A' ' 122' ' ' LYS . . . -155.14 68.83 0.7 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.429 1.08 . . . . 10.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -108.79 94.14 0.83 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.481 1.113 . . . . 10.0 111.023 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -151.5 78.39 1.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 0.785 . . . . 10.0 110.015 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.99 157.76 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 10.0 110.33 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.474 ' N ' ' O ' ' A' ' 119' ' ' VAL . 17.4 mt -144.75 154.0 42.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 10.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . 0.471 ' HB1' ' CG1' ' A' ' 14' ' ' VAL . . . 54.88 168.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 10.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 32.0 p -155.48 71.21 0.76 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.49 1.119 . . . . 10.0 108.254 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . 0.415 ' O ' ' HB ' ' A' ' 148' ' ' VAL . . . -51.59 -54.41 24.7 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.471 1.107 . . . . 10.0 110.986 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . 0.482 ' CG2' ' HB ' ' A' ' 116' ' ' THR . 45.0 t 66.08 129.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.574 0.808 . . . . 10.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' ILE . . . . . 0.645 ' CD1' ' CD1' ' A' ' 20' ' ' PHE . 8.4 mm -78.73 120.44 29.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.119 . . . . 10.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -123.92 126.1 6.06 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.496 1.123 . . . . 10.0 110.995 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 19.2 mm -47.62 141.11 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.531 0.783 . . . . 10.0 109.268 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . 0.514 ' CB ' ' O ' ' A' ' 3' ' ' LYS . . . -138.31 170.81 15.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.159 . . . . 10.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 10.0 110.33 -179.997 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.402 ' N ' ' HA ' ' A' ' 23' ' ' LYS . . . . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.252 -0.648 . . . . 10.0 109.252 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.5 m -95.8 96.25 8.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 10.0 110.371 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.9 ttmt -103.8 110.78 23.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 10.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.487 ' CB ' ' CG2' ' A' ' 149' ' ' ILE . . . -114.78 170.3 8.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 10.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -149.86 164.18 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 10.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -150.89 106.29 3.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 10.0 109.315 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 73.2 t -84.36 91.04 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.122 . . . . 10.0 109.271 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.424 ' HB2' ' N ' ' A' ' 16' ' ' GLY . 0.2 OUTLIER -42.11 138.37 1.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 10.0 109.242 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.8 tttt -178.17 127.41 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.113 . . . . 10.0 109.296 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 175.07 -92.56 0.09 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.473 1.108 . . . . 10.0 111.013 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -41.29 -56.73 2.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 0.734 . . . . 10.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.429 ' N ' ' CD ' ' A' ' 13' ' ' PRO . . . 151.69 -54.84 0.46 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.511 1.132 . . . . 10.0 111.034 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.461 ' O ' ' N ' ' A' ' 15' ' ' GLN . 18.3 Cg_endo -75.0 -56.1 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.479 1.779 . . . . 10.0 111.016 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.428 HG21 ' CD1' ' A' ' 144' ' ' LEU . 57.9 t -56.04 87.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 10.0 109.352 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' A' ' 13' ' ' PRO . 0.0 OUTLIER -132.09 52.51 2.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 10.0 110.325 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.424 ' N ' ' HB2' ' A' ' 8' ' ' LEU . . . -82.92 -168.45 42.9 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.52 1.137 . . . . 10.0 111.03 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.419 HG13 ' C ' ' A' ' 16' ' ' GLY . 71.4 mt -141.86 117.57 6.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 0.772 . . . . 10.0 109.255 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.468 ' CD1' ' N ' ' A' ' 19' ' ' ASN . 0.1 OUTLIER -113.0 129.56 68.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 10.0 109.31 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.468 ' N ' ' CD1' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -111.99 141.85 45.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 10.0 109.272 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.615 ' CE1' ' CG1' ' A' ' 31' ' ' VAL . 1.9 m-85 -118.45 109.69 16.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.084 . . . . 10.0 110.985 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.48 ' HB2' ' CH2' ' A' ' 32' ' ' TRP . 1.7 tt0 -113.29 143.1 45.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 10.0 110.283 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.413 ' OE1' ' CD1' ' A' ' 106' ' ' LEU . 7.2 tt0 -155.65 77.78 0.98 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 10.0 110.311 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.402 ' HA ' ' N ' ' A' ' 1' ' ' ALA . 24.0 mtpt -72.82 59.28 0.48 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 10.0 109.303 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.484 ' O ' ' CB ' ' A' ' 25' ' ' SER . 0.0 OUTLIER -155.62 -50.1 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 10.0 110.297 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.484 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 0.6 OUTLIER 84.35 -9.73 0.91 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.157 . . . . 10.0 110.037 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -161.09 28.05 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 10.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -131.94 -146.28 5.69 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.527 1.142 . . . . 10.0 110.993 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 136.01 19.81 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.519 1.799 . . . . 10.0 110.993 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 94.3 t -102.33 113.62 39.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 10.0 109.247 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 21' ' ' GLU . 15.2 mttt -79.52 95.11 5.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 10.0 109.258 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.615 ' CG1' ' CE1' ' A' ' 20' ' ' PHE . 0.9 OUTLIER -101.39 132.58 46.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.565 1.166 . . . . 10.0 109.313 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.48 ' CH2' ' HB2' ' A' ' 21' ' ' GLU . 23.8 p90 -156.53 148.0 22.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 10.0 107.957 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -166.61 -168.92 29.52 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.523 1.139 . . . . 10.0 110.978 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 65.7 p -155.89 120.19 4.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 0.739 . . . . 10.0 109.974 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.466 ' CG2' ' HB2' ' A' ' 38' ' ' LEU . 1.3 mp -87.78 159.86 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.143 . . . . 10.0 109.278 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.429 ' N ' HG21 ' A' ' 35' ' ' ILE . 14.9 mttt -143.07 109.51 5.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 10.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.44 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 130.47 -26.12 4.16 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.484 1.115 . . . . 10.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.466 ' HB2' ' CG2' ' A' ' 35' ' ' ILE . 3.1 mt -55.21 -164.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 0.765 . . . . 10.0 109.279 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 41' ' ' GLY . 2.3 p -149.32 142.99 25.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 10.0 110.373 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -43.44 95.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 10.0 110.31 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 39' ' ' THR . . . 165.48 177.93 38.18 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.44 1.088 . . . . 10.0 110.985 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.467 ' C ' ' CG ' ' A' ' 43' ' ' HIS . 2.1 mp -89.27 146.77 24.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 0.784 . . . . 10.0 109.345 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.467 ' CG ' ' C ' ' A' ' 42' ' ' LEU . 2.7 m-70 -155.37 130.94 9.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 10.0 109.619 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.425 ' N ' ' HB2' ' A' ' 120' ' ' HIS . . . -42.36 154.96 0.13 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.474 1.109 . . . . 10.0 111.036 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.604 ' HB3' ' CD2' ' A' ' 46' ' ' HIS . 0.0 OUTLIER -164.36 144.23 7.72 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 0.769 . . . . 10.0 111.03 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.604 ' CD2' ' HB3' ' A' ' 45' ' ' PHE . 0.2 OUTLIER 56.94 159.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 10.0 109.637 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.557 ' O ' ' CG ' ' A' ' 48' ' ' HIS . 0.0 OUTLIER 49.91 176.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.54 1.15 . . . . 10.0 109.292 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.557 ' CG ' ' O ' ' A' ' 47' ' ' VAL . 4.6 m170 90.98 84.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 10.0 109.558 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.46 ' HA ' ' CB ' ' A' ' 62' ' ' PRO . 5.0 tt0 -43.11 106.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 10.0 110.288 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.23 -168.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 10.0 110.276 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.16 -59.99 2.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 10.0 110.3 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.03 -179.67 5.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 10.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -121.85 24.09 9.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 10.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 6.9 t -142.59 -47.78 0.33 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.157 . . . . 10.0 110.392 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 72.04 -58.23 0.59 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 10.0 109.312 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 100.03 63.96 0.81 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.478 1.111 . . . . 10.0 110.97 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 9.9 p -167.0 -52.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.277 -1.009 . . . . 10.0 108.277 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -150.63 -167.35 2.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 10.0 110.397 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.1 m -69.67 64.34 0.19 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 10.0 109.979 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.78 89.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 10.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -139.47 112.06 0.81 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.495 1.122 . . . . 10.0 110.987 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.46 ' CB ' ' HA ' ' A' ' 49' ' ' GLU . 18.2 Cg_endo -74.99 179.1 6.41 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.476 1.777 . . . . 10.0 111.011 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.544 ' O ' ' CG ' ' A' ' 64' ' ' PHE . 81.7 t60 -83.64 -59.48 2.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 10.0 109.619 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.544 ' CG ' ' O ' ' A' ' 63' ' ' HIS . 0.3 OUTLIER 160.27 -167.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 10.0 111.016 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 6.6 p-10 -132.83 88.88 36.35 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.147 . . . . 10.0 109.297 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.416 ' O ' ' HB2' ' A' ' 67' ' ' LEU . 18.3 Cg_endo -75.07 90.13 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.474 1.776 . . . . 10.0 110.966 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.555 ' CD1' ' NE ' ' A' ' 69' ' ' ARG . 0.2 OUTLIER 79.9 -50.8 0.38 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.141 . . . . 10.0 109.301 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.448 ' O ' ' CB ' ' A' ' 69' ' ' ARG . 8.0 p 53.28 -91.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 10.0 110.028 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.555 ' NE ' ' CD1' ' A' ' 67' ' ' LEU . 3.9 mtp180 80.93 -51.48 0.31 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 10.0 110.283 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.501 ' CB ' ' O ' ' A' ' 69' ' ' ARG . 7.5 pttt 88.75 168.37 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 10.0 109.319 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.514 ' O ' ' CD2' ' A' ' 71' ' ' HIS . 0.0 OUTLIER 78.97 6.3 2.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 10.0 109.615 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.445 ' N ' ' OE1' ' A' ' 78' ' ' GLU . . . -71.16 -168.96 8.92 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.512 1.132 . . . . 10.0 111.049 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -115.05 -127.39 4.29 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.023 -0.831 . . . . 10.0 111.023 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.458 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 18.1 Cg_endo -75.02 -52.98 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.537 1.809 . . . . 10.0 110.977 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.462 ' O ' ' CD ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER 167.11 88.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 10.0 109.328 -179.938 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 168.18 -40.78 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 10.0 109.319 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -86.64 1.38 52.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 10.0 110.305 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.445 ' OE1' ' N ' ' A' ' 72' ' ' GLY . 0.5 OUTLIER -176.14 -170.11 0.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 10.0 110.298 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.494 ' O ' ' CA ' ' A' ' 83' ' ' ASP . 13.1 mmt-85 -115.21 -37.24 4.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 10.0 110.263 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.697 ' O ' ' C ' ' A' ' 81' ' ' VAL . 1.2 t-80 48.25 98.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 10.0 109.568 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.697 ' C ' ' O ' ' A' ' 80' ' ' HIS . 7.3 p -9.06 89.4 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 10.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 80' ' ' HIS . . . 92.65 62.96 1.12 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.537 1.148 . . . . 10.0 111.029 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.494 ' CA ' ' O ' ' A' ' 79' ' ' ARG . 0.0 OUTLIER -62.81 140.68 58.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 0.768 . . . . 10.0 109.252 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.405 ' HG ' ' N ' ' A' ' 85' ' ' GLY . 38.2 tp -177.98 -92.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 10.0 109.331 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.405 ' N ' ' HG ' ' A' ' 84' ' ' LEU . . . 176.51 -154.95 17.71 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.518 1.137 . . . . 10.0 111.0 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -143.18 171.78 13.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 0.772 . . . . 10.0 109.294 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.432 HG21 ' N ' ' A' ' 88' ' ' THR . 3.0 m -118.2 -166.22 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 10.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.432 ' N ' HG21 ' A' ' 87' ' ' VAL . 42.1 m -155.23 145.01 21.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 10.0 110.416 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.433 ' HB3' ' CA ' ' A' ' 93' ' ' GLY . . . -85.08 164.94 17.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.56 1.162 . . . . 10.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.437 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 16.0 t0 -74.57 -98.64 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.456 1.098 . . . . 10.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.437 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 0.5 OUTLIER -137.49 10.04 2.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 10.0 109.296 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -148.6 19.91 1.04 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 10.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.433 ' CA ' ' HB3' ' A' ' 89' ' ' ALA . . . 95.29 -35.52 4.24 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.512 1.133 . . . . 10.0 111.04 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.437 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 25.6 t -41.39 103.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.52 0.776 . . . . 10.0 109.331 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -103.45 113.45 26.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 10.0 109.305 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -110.02 148.42 31.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 10.0 109.332 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.467 HG11 ' CD1' ' A' ' 99' ' ' ILE . 36.3 t -117.29 161.26 16.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.09 . . . . 10.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.24 75.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 10.0 109.973 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.467 ' CD1' HG11 ' A' ' 97' ' ' VAL . 3.6 mp -130.38 164.3 33.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 10.0 109.34 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -122.48 94.58 4.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 10.0 110.306 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -85.84 122.74 30.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 10.0 109.259 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 71.2 p -103.33 -41.02 6.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.102 . . . . 10.0 110.003 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 65.0 t -42.97 -75.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 10.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.486 ' C ' ' CD1' ' A' ' 104' ' ' ILE . 1.8 pp -52.21 -179.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.107 . . . . 10.0 109.327 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -171.04 157.67 5.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 10.0 110.018 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.467 ' HG ' ' CG1' ' A' ' 112' ' ' ILE . 1.8 mp -99.07 46.07 0.99 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 10.0 109.36 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 109' ' ' ASP . 0.6 OUTLIER -143.19 179.08 7.28 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 10.0 109.935 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.03 80.6 0.02 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.44 1.088 . . . . 10.0 111.044 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 107' ' ' SER . 2.9 m-20 -179.07 -67.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 0.745 . . . . 10.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 11.8 m80 -127.29 37.2 4.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 10.0 109.619 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 87.3 p -39.22 106.51 0.05 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 10.0 110.022 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.476 ' CG2' ' HB ' ' A' ' 104' ' ' ILE . 6.3 pt -84.95 -35.38 9.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 10.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 3.0 mm -41.73 112.32 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 10.0 109.303 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 122.43 4.84 8.86 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.494 1.121 . . . . 10.0 111.005 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.512 ' O ' ' CD2' ' A' ' 117' ' ' LEU . 4.2 mmm-85 -86.24 72.28 10.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 0.787 . . . . 10.0 110.295 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.462 ' CG2' HG13 ' A' ' 118' ' ' VAL . 14.5 t -38.06 148.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 10.0 110.392 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.519 ' CD1' ' CE1' ' A' ' 46' ' ' HIS . 0.1 OUTLIER -103.52 75.8 1.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 10.0 109.295 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.515 ' CG1' ' O ' ' A' ' 145' ' ' ALA . 33.8 m -93.88 125.75 46.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 10.0 109.303 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.585 HG23 ' CZ ' ' A' ' 45' ' ' PHE . 4.3 t -89.6 168.36 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 10.0 109.313 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.425 ' HB2' ' N ' ' A' ' 44' ' ' GLY . 1.0 OUTLIER -113.25 142.92 45.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 10.0 109.556 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.413 ' CB ' ' HA3' ' A' ' 141' ' ' GLY . 1.6 tt0 -50.84 -29.01 10.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 10.0 110.316 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -156.84 -176.62 6.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.138 . . . . 10.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.461 ' CB ' ' O ' ' A' ' 42' ' ' LEU . . . -81.72 173.13 12.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 10.0 109.292 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -117.3 94.47 4.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 10.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -52.23 -22.59 4.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 10.0 109.306 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 9.5 mt 60.5 14.78 5.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 10.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -93.05 -127.45 4.48 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.475 1.109 . . . . 10.0 110.995 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -142.95 43.13 1.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 0.746 . . . . 10.0 109.265 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -80.13 49.89 3.85 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.499 1.124 . . . . 10.0 110.986 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 152.69 -156.13 26.53 Favored Glycine 0 CA--C 1.531 1.04 0 N-CA-C 110.977 -0.849 . . . . 10.0 110.977 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -151.36 126.22 9.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 0.779 . . . . 10.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 69.75 6.74 5.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 10.0 110.265 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -130.27 -67.37 0.74 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.159 . . . . 10.0 110.291 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 58.4 m -73.94 -20.15 60.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 10.0 110.011 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 82.8 p -70.82 -20.52 62.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 10.0 110.419 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 2.2 pttt -106.92 -34.05 7.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 10.0 109.265 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 31.7 p -122.97 -89.31 0.6 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 10.0 110.432 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 156.5 46.27 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.429 1.081 . . . . 10.0 110.983 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 64.24 14.28 8.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 0.768 . . . . 10.0 109.286 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -47.1 -68.99 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 10.0 109.343 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . 0.413 ' HA3' ' CB ' ' A' ' 121' ' ' GLU . . . 148.28 -96.27 0.17 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.507 1.129 . . . . 10.0 111.006 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 1.1 t -163.6 161.83 24.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 0.768 . . . . 10.0 109.998 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.81 123.2 25.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 10.0 110.308 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.503 ' O ' ' CB ' ' A' ' 145' ' ' ALA . 0.4 OUTLIER -123.6 148.39 46.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.45 1.094 . . . . 10.0 109.283 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . 0.515 ' O ' ' CG1' ' A' ' 118' ' ' VAL . . . 83.77 168.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 10.0 109.349 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 26.1 p -155.86 71.34 0.74 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 10.0 108.344 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -83.62 64.61 4.27 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.515 1.134 . . . . 10.0 111.036 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 41.6 t -62.46 121.31 10.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.517 0.775 . . . . 10.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' ILE . . . . . 0.58 HG12 ' CE1' ' A' ' 20' ' ' PHE . 3.8 mp -68.91 114.68 6.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 10.0 109.292 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -122.69 138.55 11.91 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.537 1.148 . . . . 10.0 110.993 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 25.3 mm -46.99 137.29 2.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.522 0.778 . . . . 10.0 109.283 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -96.1 168.79 10.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 10.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 10.0 110.294 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.526 ' CB ' ' HA ' ' A' ' 23' ' ' LYS . . . . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.283 -0.636 . . . . 10.0 109.283 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.2 m -126.93 136.52 52.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 10.0 110.391 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.7 ttmt -156.05 89.98 1.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 10.0 109.325 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.486 ' CB ' ' HB2' ' A' ' 20' ' ' PHE . . . -84.48 161.76 20.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 10.0 109.274 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.6 t -146.29 158.87 11.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 10.0 109.242 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.438 ' CB ' ' O ' ' A' ' 147' ' ' GLY . . . -155.12 92.67 1.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 10.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.3 m -82.88 107.58 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 10.0 109.311 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.494 ' O ' ' CB ' ' A' ' 9' ' ' LYS . 1.6 mm? -53.11 159.92 1.14 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 10.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.494 ' CB ' ' O ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER 163.93 106.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 10.0 109.274 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -156.38 -89.58 0.07 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.469 1.106 . . . . 10.0 110.976 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.418 ' HB2' ' CD1' ' A' ' 144' ' ' LEU . 31.7 t0 -43.23 -65.5 0.48 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 0.78 . . . . 10.0 109.257 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 170.17 -62.79 0.17 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.484 1.115 . . . . 10.0 111.03 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.456 ' O ' ' N ' ' A' ' 15' ' ' GLN . 18.1 Cg_endo -75.03 -40.64 0.83 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.478 1.778 . . . . 10.0 110.981 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.472 HG22 ' CD2' ' A' ' 38' ' ' LEU . 2.2 t -53.62 90.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 10.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 13' ' ' PRO . 0.0 OUTLIER -119.82 45.29 2.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 10.0 110.278 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.492 ' N ' ' HB2' ' A' ' 8' ' ' LEU . . . -56.6 164.34 5.6 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.515 1.134 . . . . 10.0 111.02 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 55.0 mt -141.37 101.35 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.488 0.758 . . . . 10.0 109.313 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.487 ' CD1' ' N ' ' A' ' 19' ' ' ASN . 0.1 OUTLIER -110.62 130.79 63.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 10.0 109.331 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.487 ' N ' ' CD1' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -122.17 146.77 46.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 10.0 109.329 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.575 ' CE1' HG12 ' A' ' 31' ' ' VAL . 2.8 m-85 -113.62 134.09 54.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 10.0 110.987 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -124.91 128.97 49.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 10.0 110.261 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.455 ' O ' ' CG ' ' A' ' 22' ' ' GLN . 1.3 tt0 -155.13 60.0 0.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 10.0 110.325 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.526 ' HA ' ' CB ' ' A' ' 1' ' ' ALA . 10.0 mttt -76.94 65.71 2.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 10.0 109.307 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.512 ' O ' ' CB ' ' A' ' 25' ' ' SER . 0.0 OUTLIER -152.59 -45.28 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 10.0 110.313 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.512 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 1.6 t 85.77 -14.18 0.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 10.0 110.019 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 17.4 p30 -154.79 24.18 0.45 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 10.0 109.32 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -118.74 -159.24 11.03 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.498 1.124 . . . . 10.0 111.006 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.415 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 18.2 Cg_endo -75.02 166.37 29.33 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.481 1.779 . . . . 10.0 111.003 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 13.2 t -123.47 89.51 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 10.0 109.32 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.5 mttt -60.53 93.32 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 10.0 109.253 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.575 HG12 ' CE1' ' A' ' 20' ' ' PHE . 55.2 t -96.6 128.93 47.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 10.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 3.2 p90 -157.18 144.02 18.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 10.0 107.999 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -158.79 -171.63 24.86 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.501 1.126 . . . . 10.0 111.027 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.4 p -156.94 122.29 4.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 0.748 . . . . 10.0 109.979 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.476 ' HA ' ' CA ' ' A' ' 16' ' ' GLY . 1.1 mp -85.11 160.38 3.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 10.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.449 ' HG2' ' O ' ' A' ' 35' ' ' ILE . 22.1 mttt -147.37 92.87 2.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 10.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.44 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 153.4 -36.54 0.75 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.473 1.108 . . . . 10.0 110.991 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.472 ' CD2' HG22 ' A' ' 14' ' ' VAL . 0.4 OUTLIER -53.63 -168.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 0.739 . . . . 10.0 109.31 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 40' ' ' GLU . 4.8 p -144.34 131.51 20.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 10.0 110.403 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.469 ' O ' ' CG ' ' A' ' 40' ' ' GLU . 5.3 pt-20 -37.45 110.12 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 10.0 110.341 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 153.05 161.14 10.11 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.489 1.118 . . . . 10.0 111.007 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.76 164.04 0.62 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 0.763 . . . . 10.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.401 ' N ' ' O ' ' A' ' 87' ' ' VAL . 95.6 m-70 -149.37 155.77 41.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 10.0 109.573 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.482 ' CA ' ' HB2' ' A' ' 120' ' ' HIS . . . -59.31 -152.63 0.01 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.469 1.105 . . . . 10.0 110.962 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.597 ' CE2' ' OD1' ' A' ' 86' ' ' ASN . 4.5 m-85 -107.74 161.14 15.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 0.775 . . . . 10.0 111.0 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.543 ' NE2' ' CG1' ' A' ' 87' ' ' VAL . 0.2 OUTLIER -106.2 176.36 5.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 10.0 109.558 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.493 ' CG2' ' C ' ' A' ' 46' ' ' HIS . 2.6 t 84.35 126.37 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 10.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.513 ' CD2' HG22 ' A' ' 118' ' ' VAL . 0.3 OUTLIER -163.29 135.73 5.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 10.0 109.573 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.561 ' HA ' ' CG ' ' A' ' 64' ' ' PHE . 5.3 tt0 63.03 90.34 0.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 10.0 110.336 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -44.51 117.14 1.19 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 10.0 110.319 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 69.77 -77.88 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 10.0 110.298 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.492 ' OD2' ' CB ' ' A' ' 55' ' ' ALA . 4.4 t0 72.84 151.17 0.11 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 10.0 109.276 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -113.73 -10.02 13.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 10.0 109.313 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.6 t -155.25 -49.63 0.08 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.102 . . . . 10.0 110.419 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.492 ' CB ' ' OD2' ' A' ' 52' ' ' ASP . . . 72.18 -58.49 0.59 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 10.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 104.59 -40.01 2.62 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.524 1.14 . . . . 10.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 1.359 ' SG ' ' SG ' ' A' ' 146' ' ' CYS . 1.6 m 59.52 53.82 4.9 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.298 -1.001 . . . . 10.0 108.298 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 55.7 p -114.12 -140.37 0.38 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 10.0 110.389 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.81 92.54 2.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 10.0 110.015 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -135.43 -70.4 0.49 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 10.0 109.269 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 139.16 88.99 0.18 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.501 1.125 . . . . 10.0 110.988 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 137.41 21.67 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.536 1.808 . . . . 10.0 110.994 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -119.51 68.66 0.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 10.0 109.615 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.561 ' CG ' ' HA ' ' A' ' 49' ' ' GLU . 5.1 m-85 -113.41 46.09 1.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 10.0 110.987 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.427 ' CB ' ' O ' ' A' ' 81' ' ' VAL . 2.2 p-10 -155.61 77.19 4.77 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 10.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -48.64 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.525 1.803 . . . . 10.0 111.031 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.469 ' HB2' ' CG2' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -52.71 -40.76 63.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 10.0 109.296 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.445 ' O ' ' HB2' ' A' ' 69' ' ' ARG . 27.5 t -61.4 -27.83 68.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 10.0 109.974 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.526 ' O ' ' CG ' ' A' ' 70' ' ' LYS . 20.3 mtp180 68.74 -62.58 0.38 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 10.0 110.296 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.526 ' CG ' ' O ' ' A' ' 69' ' ' ARG . 3.6 mttt 177.83 -98.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 10.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.43 ' CD2' ' C ' ' A' ' 71' ' ' HIS . 2.1 t60 -49.56 121.62 5.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 10.0 109.602 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -173.55 147.45 9.51 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.528 1.142 . . . . 10.0 110.99 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.45 ' O ' ' NH2' ' A' ' 79' ' ' ARG . . . 145.77 -95.28 0.17 Allowed Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.971 -0.852 . . . . 10.0 110.971 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -59.2 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.515 1.797 . . . . 10.0 110.989 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.9 mtpt -62.84 -26.82 68.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 10.0 109.281 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.453 ' OD1' ' NH2' ' A' ' 79' ' ' ARG . 0.0 OUTLIER 49.73 89.72 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.135 . . . . 10.0 109.287 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -115.53 -18.33 10.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 10.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.459 ' HG3' ' CG ' ' A' ' 69' ' ' ARG . 64.3 mm-40 -154.25 -91.58 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.486 1.116 . . . . 10.0 110.278 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.49 ' O ' ' CB ' ' A' ' 80' ' ' HIS . 0.6 OUTLIER 38.93 -158.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 10.0 110.295 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.49 ' CB ' ' O ' ' A' ' 79' ' ' ARG . 1.2 t-160 87.58 -8.68 0.59 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 10.0 109.562 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.469 ' CG2' ' HB2' ' A' ' 67' ' ' LEU . 4.5 t -139.83 90.68 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 10.0 109.256 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 101.71 -77.24 0.36 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.468 1.105 . . . . 10.0 110.999 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -50.05 160.9 0.3 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 0.775 . . . . 10.0 109.306 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.407 HD11 ' N ' ' A' ' 85' ' ' GLY . 3.3 tm? -142.85 -82.96 0.18 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.514 1.134 . . . . 10.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.407 ' N ' HD11 ' A' ' 84' ' ' LEU . . . -163.21 171.79 39.03 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.507 1.129 . . . . 10.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.597 ' OD1' ' CE2' ' A' ' 45' ' ' PHE . 48.8 m-20 -92.64 129.83 38.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 0.753 . . . . 10.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.543 ' CG1' ' NE2' ' A' ' 46' ' ' HIS . 14.0 m -98.24 169.41 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 10.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 3.8 m -139.1 148.05 42.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 10.0 110.376 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.419 ' CB ' ' HA2' ' A' ' 93' ' ' GLY . . . -84.63 170.68 13.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 10.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.455 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 13.3 t0 -74.11 -97.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 10.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.455 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 37.3 pttt -136.83 8.12 3.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 10.0 109.322 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -156.06 24.4 0.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 10.0 109.337 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.428 ' HA3' ' O ' ' A' ' 38' ' ' LEU . . . 98.89 -43.88 1.79 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.494 1.121 . . . . 10.0 110.994 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.438 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 32.1 t -39.41 103.24 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.485 0.756 . . . . 10.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -98.55 112.63 24.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 10.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -96.21 148.33 22.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 10.0 109.339 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.415 HG12 ' N ' ' A' ' 98' ' ' SER . 21.6 t -120.1 149.99 22.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 10.0 109.262 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.415 ' N ' HG12 ' A' ' 97' ' ' VAL . 42.2 p -168.34 95.59 0.39 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.457 1.098 . . . . 10.0 109.972 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -139.33 119.49 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 10.0 109.359 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -112.51 81.97 1.57 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 10.0 110.325 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.415 ' O ' ' CB ' ' A' ' 28' ' ' PRO . 1.0 OUTLIER -91.32 152.74 20.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.412 1.07 . . . . 10.0 109.262 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 24.6 p -131.9 65.1 1.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 10.0 110.012 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 80.5 t -150.89 -46.71 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.096 . . . . 10.0 109.327 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -68.28 177.51 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 10.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.7 m -167.41 119.6 0.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 10.0 109.99 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.476 ' HG ' ' CD1' ' A' ' 112' ' ' ILE . 3.2 mp -49.79 -37.27 29.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 10.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.3 m -125.55 140.65 52.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 10.0 109.994 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 132.54 -89.71 0.27 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.499 1.124 . . . . 10.0 110.95 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -138.47 -47.33 0.51 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 0.78 . . . . 10.0 109.275 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 3.2 m80 -85.4 55.84 3.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 10.0 109.608 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 96.2 p -60.5 111.48 1.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 10.0 109.984 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.476 ' CD1' ' HG ' ' A' ' 106' ' ' LEU . 8.6 pt -84.74 -21.88 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 10.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 3.7 mt -58.68 141.39 15.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.54 1.15 . . . . 10.0 109.25 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 112.26 -7.39 26.83 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.511 1.132 . . . . 10.0 111.03 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.433 ' O ' ' CD1' ' A' ' 149' ' ' ILE . 11.5 mmt180 -87.02 164.98 16.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 0.776 . . . . 10.0 110.275 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.489 ' HB ' ' CG2' ' A' ' 148' ' ' VAL . 2.2 t -153.94 126.62 8.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 10.0 110.418 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.423 ' CD1' HG12 ' A' ' 119' ' ' VAL . 0.1 OUTLIER -72.7 74.12 1.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 10.0 109.278 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.513 HG22 ' CD2' ' A' ' 48' ' ' HIS . 19.6 t -84.13 70.84 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 10.0 109.304 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.423 HG12 ' CD1' ' A' ' 117' ' ' LEU . 1.2 m -50.05 133.98 9.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 10.0 109.344 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.527 ' CE1' ' CA ' ' A' ' 141' ' ' GLY . 4.0 m170 -84.48 134.96 34.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 10.0 109.581 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -46.4 -64.75 0.68 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 10.0 110.33 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 3.7 mttt -100.98 -178.27 3.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 10.0 109.339 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -89.76 -178.26 5.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 10.0 109.295 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.433 ' OD2' ' CE1' ' A' ' 45' ' ' PHE . 1.4 m-20 -133.86 95.85 3.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 10.0 109.267 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.26 -21.27 5.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 10.0 109.337 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 7.6 mt 61.36 19.3 10.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 10.0 109.338 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 178.61 91.97 0.08 OUTLIER Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.505 1.128 . . . . 10.0 111.006 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.4 ' HG2' ' N ' ' A' ' 129' ' ' GLY . 0.2 OUTLIER -121.3 -42.79 2.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 0.743 . . . . 10.0 109.301 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . 0.4 ' N ' ' HG2' ' A' ' 128' ' ' LYS . . . -178.68 36.63 0.08 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.448 1.093 . . . . 10.0 111.004 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 41.7 92.21 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.033 -0.827 . . . . 10.0 111.033 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . 0.511 ' O ' ' N ' ' A' ' 135' ' ' THR . 2.4 t30 -141.51 148.43 39.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 0.753 . . . . 10.0 109.275 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 131' ' ' ASN . 0.9 OUTLIER -37.81 -29.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 10.0 110.259 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . 0.478 ' N ' ' O ' ' A' ' 131' ' ' ASN . 0.0 OUTLIER -91.71 -43.47 9.56 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.554 1.159 . . . . 10.0 110.313 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 131' ' ' ASN . 0.0 OUTLIER -70.7 -50.73 33.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 10.0 110.039 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' THR . . . . . 0.511 ' N ' ' O ' ' A' ' 131' ' ' ASN . 41.0 p -35.6 -36.27 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 10.0 110.423 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 134' ' ' SER . 32.3 pttt -101.9 -41.43 6.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 10.0 109.29 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' THR . . . . . 0.424 ' OG1' ' N ' ' A' ' 138' ' ' GLY . 61.9 p -133.68 -106.61 0.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 10.0 110.409 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . 0.438 ' CA ' ' HA ' ' A' ' 134' ' ' SER . . . -144.82 -66.41 0.02 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.513 1.133 . . . . 10.0 110.977 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 10.1 p-10 169.84 42.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 0.792 . . . . 10.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 142' ' ' SER . . . -146.12 -52.47 0.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 10.0 109.29 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . 0.527 ' CA ' ' CE1' ' A' ' 120' ' ' HIS . . . -40.57 94.75 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.512 1.133 . . . . 10.0 110.976 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 140' ' ' ALA . 0.4 OUTLIER -127.68 11.79 6.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 0.729 . . . . 10.0 109.999 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . 0.504 ' HG2' ' CG ' ' A' ' 48' ' ' HIS . 2.1 mpt_? 62.02 138.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 10.0 110.331 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.418 ' CD1' ' HB2' ' A' ' 11' ' ' ASP . 1.8 mm? -127.97 -96.79 0.4 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 10.0 109.345 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . 0.456 ' HB3' ' CG1' ' A' ' 14' ' ' VAL . . . -64.99 175.1 1.65 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.103 . . . . 10.0 109.323 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' CYS . . . . . 1.359 ' SG ' ' SG ' ' A' ' 57' ' ' CYS . 0.8 OUTLIER -154.32 69.74 0.78 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 10.0 108.273 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . 0.438 ' O ' ' CB ' ' A' ' 6' ' ' ALA . . . -79.3 68.3 3.16 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.496 1.123 . . . . 10.0 111.009 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . 0.489 ' CG2' ' HB ' ' A' ' 116' ' ' THR . 2.3 t -59.1 127.11 17.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.491 0.759 . . . . 10.0 109.348 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' ILE . . . . . 0.571 HG23 ' CD1' ' A' ' 20' ' ' PHE . 1.0 OUTLIER -81.22 123.64 37.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 10.0 109.291 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -140.75 139.37 9.61 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.515 1.135 . . . . 10.0 111.02 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 13.8 mm -46.46 145.05 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.543 0.79 . . . . 10.0 109.28 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -136.42 172.14 13.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 10.0 109.294 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 10.0 110.267 -179.968 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.316 -0.624 . . . . 10.0 109.316 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.466 HG21 ' CD1' ' A' ' 151' ' ' ILE . 1.4 m -91.66 124.54 35.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 10.0 110.405 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -99.92 128.65 45.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 10.0 109.344 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -107.88 162.08 14.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 10.0 109.337 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -140.12 141.91 32.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 10.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -137.07 106.63 6.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 10.0 109.266 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.424 ' O ' ' C ' ' A' ' 8' ' ' LEU . 19.5 m -82.48 90.35 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 10.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.507 HD13 ' CB ' ' A' ' 145' ' ' ALA . 1.5 mm? -37.79 135.43 0.63 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.578 1.174 . . . . 10.0 109.345 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.27 -54.57 6.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 10.0 109.268 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.407 ' HA3' ' O ' ' A' ' 14' ' ' VAL . . . 76.9 120.29 0.18 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.44 1.088 . . . . 10.0 111.029 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -57.8 -20.9 38.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 0.763 . . . . 10.0 109.259 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -176.43 -67.34 0.06 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.49 1.118 . . . . 10.0 111.035 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.436 ' HB2' ' CA ' ' A' ' 37' ' ' GLY . 18.4 Cg_endo -74.97 -60.97 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.487 1.782 . . . . 10.0 111.038 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.421 ' C ' ' O ' ' A' ' 13' ' ' PRO . 21.8 t -38.73 145.11 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.47 1.106 . . . . 10.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 171.85 65.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 10.0 110.328 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.478 ' C ' ' CG1' ' A' ' 17' ' ' ILE . . . -107.46 -153.0 18.27 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.434 1.084 . . . . 10.0 110.986 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.478 ' CG1' ' C ' ' A' ' 16' ' ' GLY . 1.0 OUTLIER -153.25 126.13 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 0.768 . . . . 10.0 109.307 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.527 HD13 ' CE1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -123.26 126.52 73.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.15 . . . . 10.0 109.276 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -111.04 158.11 19.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 10.0 109.337 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.565 ' CD1' HG12 ' A' ' 149' ' ' ILE . 1.7 m-85 -130.88 91.14 3.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 10.0 111.02 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 30' ' ' LYS . 16.6 tt0 -105.81 141.77 36.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 10.0 110.286 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.401 ' O ' ' OE1' ' A' ' 22' ' ' GLN . 0.1 OUTLIER -131.95 59.55 1.7 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 10.0 110.283 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.96 63.54 0.48 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 10.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -144.25 169.77 17.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 10.0 110.307 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.1 m -71.28 56.75 0.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 10.0 109.996 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 65.27 26.05 12.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 10.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -84.05 -138.39 3.75 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.505 1.128 . . . . 10.0 110.992 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 151.34 39.55 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.472 1.775 . . . . 10.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.439 ' CG2' HD12 ' A' ' 104' ' ' ILE . 41.8 t -92.59 133.7 33.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 10.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 21' ' ' GLU . 6.7 mttt -77.85 95.51 4.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 10.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.429 ' CG2' ' CE2' ' A' ' 20' ' ' PHE . 89.7 t -89.53 119.82 37.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 10.0 109.33 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -159.02 148.52 18.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 10.0 108.044 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.438 ' HA3' ' HA ' ' A' ' 18' ' ' ILE . . . -173.95 -159.49 20.48 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.521 1.138 . . . . 10.0 110.969 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.422 ' O ' ' HA3' ' A' ' 16' ' ' GLY . 0.1 OUTLIER -152.93 150.71 29.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 0.786 . . . . 10.0 109.998 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.47 HG23 ' CG1' ' A' ' 119' ' ' VAL . 1.2 mt -143.83 99.83 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 10.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.43 ' HB3' ' CG2' ' A' ' 94' ' ' VAL . 3.5 ptpt -105.13 120.29 41.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 10.0 109.313 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.436 ' CA ' ' HB2' ' A' ' 13' ' ' PRO . . . 164.32 -39.66 0.31 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.47 1.106 . . . . 10.0 110.998 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.447 ' CD1' HG21 ' A' ' 35' ' ' ILE . 3.4 mp -68.76 -130.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 0.773 . . . . 10.0 109.252 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.447 ' CG2' ' O ' ' A' ' 38' ' ' LEU . 3.0 p -157.55 141.19 15.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 10.0 110.405 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.438 ' HA ' ' CB ' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -40.24 110.17 0.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 10.0 110.304 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 168.95 -176.06 43.22 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.522 1.139 . . . . 10.0 110.992 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.5 mp -77.7 152.17 33.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.551 0.795 . . . . 10.0 109.288 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.415 ' HB2' ' CG2' ' A' ' 87' ' ' VAL . 23.1 m-70 -148.47 146.9 28.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 10.0 109.599 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -60.39 -161.91 0.11 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.485 1.115 . . . . 10.0 111.045 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -105.73 167.68 9.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 0.768 . . . . 10.0 111.039 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.502 ' CE1' HD13 ' A' ' 117' ' ' LEU . 7.2 p80 -99.27 77.89 2.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 10.0 109.588 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 4.7 t -149.81 134.11 9.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 10.0 109.285 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.454 ' CD2' HG22 ' A' ' 116' ' ' THR . 0.0 OUTLIER -168.42 129.89 1.33 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 10.0 109.592 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 44.37 77.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.1 . . . . 10.0 110.292 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -60.91 126.97 29.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 10.0 110.266 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 64.95 150.82 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 10.0 110.352 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 177.53 146.87 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 10.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -133.92 57.29 1.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 10.0 109.268 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -154.16 -46.26 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 10.0 110.399 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 170.49 118.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 10.0 109.28 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -99.98 -47.61 1.72 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.527 1.142 . . . . 10.0 110.973 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 1.208 ' SG ' ' SG ' ' A' ' 146' ' ' CYS . 0.1 OUTLIER -87.52 53.28 2.74 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.289 -1.004 . . . . 10.0 108.289 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -117.44 -33.08 4.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 10.0 110.381 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 84.3 p 43.89 78.93 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 10.0 109.995 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -148.39 19.05 1.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 10.0 109.265 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 137.28 92.92 0.31 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.438 1.086 . . . . 10.0 111.059 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.432 ' HB2' ' CE2' ' A' ' 64' ' ' PHE . 18.2 Cg_endo -75.03 128.55 11.55 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.453 1.765 . . . . 10.0 111.016 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -106.42 55.02 0.67 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 10.0 109.578 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.432 ' CE2' ' HB2' ' A' ' 62' ' ' PRO . 54.9 m-85 -37.64 154.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 10.0 111.014 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.404 ' HB3' ' CG2' ' A' ' 81' ' ' VAL . 5.2 t30 -85.83 141.86 36.23 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 10.0 109.29 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 55.97 4.11 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.494 1.786 . . . . 10.0 110.966 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.403 ' C ' ' N ' ' A' ' 69' ' ' ARG . 1.6 mp -116.51 -42.25 3.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 10.0 109.299 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.472 ' O ' ' HB2' ' A' ' 69' ' ' ARG . 0.5 OUTLIER -44.89 -27.11 0.49 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 10.0 110.011 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.472 ' HB2' ' O ' ' A' ' 68' ' ' SER . 16.6 mtt180 67.97 -63.11 0.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 10.0 110.257 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 68' ' ' SER . 3.9 mttt 177.58 -178.58 0.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 10.0 109.346 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.409 ' HA ' ' CZ ' ' A' ' 79' ' ' ARG . 1.4 t-80 -47.2 140.22 5.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 10.0 109.592 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.479 ' H ' ' NE ' ' A' ' 79' ' ' ARG . . . -162.95 -143.31 3.65 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.505 1.128 . . . . 10.0 110.993 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -148.97 -131.39 1.99 Allowed Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.982 -0.847 . . . . 10.0 110.982 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -32.17 5.62 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.418 1.746 . . . . 10.0 111.02 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -173.58 105.78 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 10.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -178.44 -37.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 10.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.525 ' O ' ' CB ' ' A' ' 78' ' ' GLU . 1.2 tp10 -123.85 10.59 8.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 10.0 110.306 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.525 ' CB ' ' O ' ' A' ' 77' ' ' GLU . 2.5 tm-20 88.24 -72.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 10.0 110.318 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.479 ' NE ' ' H ' ' A' ' 72' ' ' GLY . 0.0 OUTLIER 39.72 88.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 10.0 110.317 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 8.5 t-160 -148.39 27.83 0.91 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 10.0 109.621 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.411 ' CG1' ' HB3' ' A' ' 64' ' ' PHE . 24.1 t -140.79 -71.77 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 10.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -62.42 -45.37 96.04 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.54 1.15 . . . . 10.0 110.983 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.408 ' OD1' ' CZ ' ' A' ' 79' ' ' ARG . 0.0 OUTLIER -151.67 -167.64 2.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 0.756 . . . . 10.0 109.333 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -171.01 -59.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 10.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.42 ' C ' ' OD1' ' A' ' 86' ' ' ASN . . . -122.05 -162.58 11.64 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.528 1.142 . . . . 10.0 110.983 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.42 ' OD1' ' C ' ' A' ' 85' ' ' GLY . 2.5 m-20 -140.02 132.5 28.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 0.759 . . . . 10.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.415 ' CG2' ' HB2' ' A' ' 43' ' ' HIS . 14.4 m -108.16 135.55 46.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 10.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 98.8 m -107.8 144.59 34.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 10.0 110.344 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.438 ' CB ' ' HA ' ' A' ' 40' ' ' GLU . . . -84.99 168.19 15.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 10.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.441 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 9.0 t0 -83.13 -95.48 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 10.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.441 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 15.2 pttt -138.15 12.42 2.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 10.0 109.319 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -153.54 24.33 0.52 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.455 1.097 . . . . 10.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.455 ' O ' ' N ' ' A' ' 95' ' ' ALA . . . 87.26 -17.17 44.48 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.45 1.094 . . . . 10.0 110.973 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.43 ' CG2' ' HB3' ' A' ' 36' ' ' LYS . 21.3 t -53.63 90.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 0.768 . . . . 10.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 93' ' ' GLY . . . -95.25 119.6 34.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.163 . . . . 10.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.419 ' HA ' ' HA ' ' A' ' 34' ' ' SER . 1.5 p30 -113.2 151.13 31.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 10.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.45 ' CG1' HD11 ' A' ' 99' ' ' ILE . 21.5 t -118.96 170.95 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 10.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.401 ' C ' HG13 ' A' ' 99' ' ' ILE . 52.8 p -176.97 83.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.574 1.171 . . . . 10.0 109.974 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.45 HD11 ' CG1' ' A' ' 97' ' ' VAL . 2.9 mt -135.93 167.67 24.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 10.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.43 ' N ' ' CG2' ' A' ' 99' ' ' ILE . 0.3 OUTLIER -123.59 95.8 4.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 10.0 110.316 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.444 ' HB2' ' CG1' ' A' ' 104' ' ' ILE . 8.2 m-20 -85.76 134.03 33.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 10.0 109.263 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 9.3 p -110.01 -21.76 12.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 10.0 110.03 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 50.9 t -72.8 -7.72 10.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 10.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.444 ' CG1' ' HB2' ' A' ' 101' ' ' ASP . 2.3 pp -118.48 166.46 12.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 10.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 8.2 t -160.39 162.82 33.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 10.0 110.008 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.439 HD12 ' CD1' ' A' ' 151' ' ' ILE . 2.2 mm? -71.82 -42.17 67.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 10.0 109.327 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -144.04 159.61 42.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 10.0 109.984 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 130.77 -100.33 0.46 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.486 1.116 . . . . 10.0 110.98 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.91 -43.59 2.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 0.781 . . . . 10.0 109.342 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 22.5 m80 -104.11 66.92 0.84 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 10.0 109.599 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 82.6 p -66.22 137.0 56.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 10.0 110.014 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.4 ' CG2' HD13 ' A' ' 104' ' ' ILE . 2.1 pp -85.15 -17.4 9.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 10.0 109.298 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 9.6 mm -67.58 107.98 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 10.0 109.272 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 123.48 -0.58 9.48 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.453 1.096 . . . . 10.0 110.995 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 9.7 mmm180 -84.92 67.25 10.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 0.781 . . . . 10.0 110.27 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.514 ' CG2' ' O ' ' A' ' 116' ' ' THR . 0.3 OUTLIER -39.35 104.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 10.0 110.405 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.502 HD13 ' CE1' ' A' ' 46' ' ' HIS . 5.1 tt -78.81 116.46 19.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 10.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.427 ' HB ' ' O ' ' A' ' 145' ' ' ALA . 0.9 OUTLIER -135.71 128.31 46.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 10.0 109.302 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.47 ' CG1' HG23 ' A' ' 35' ' ' ILE . 4.9 m -75.53 150.39 6.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 10.0 109.356 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.546 ' CG ' ' OD2' ' A' ' 124' ' ' ASP . 2.5 m-70 -84.56 127.67 34.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 10.0 109.656 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -38.46 -52.84 1.57 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 10.0 110.341 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.462 ' HB3' ' CB ' ' A' ' 140' ' ' ALA . 6.8 tmtt? -139.73 161.8 36.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 10.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -47.4 142.7 3.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 10.0 109.273 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.546 ' OD2' ' CG ' ' A' ' 120' ' ' HIS . 0.6 OUTLIER -153.38 87.31 1.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 10.0 109.301 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 126' ' ' LEU . 0.1 OUTLIER 177.02 -39.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 10.0 109.262 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.413 ' C ' ' O ' ' A' ' 125' ' ' ASP . 0.3 OUTLIER -39.13 -54.4 1.75 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 10.0 109.271 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 110.12 63.13 0.52 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.472 1.108 . . . . 10.0 111.038 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.421 ' HE2' ' ND2' ' A' ' 139' ' ' ASN . 2.8 pttp -54.31 -20.43 7.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 0.752 . . . . 10.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 155.67 -23.3 0.55 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.523 1.14 . . . . 10.0 110.983 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . 0.462 ' HA2' ' CB ' ' A' ' 134' ' ' SER . . . 57.85 96.68 0.01 OUTLIER Glycine 0 CA--C 1.531 1.036 0 N-CA-C 111.008 -0.837 . . . . 10.0 111.008 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . 0.462 ' O ' ' N ' ' A' ' 133' ' ' GLN . 38.6 m-80 -155.44 104.8 2.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 0.792 . . . . 10.0 109.339 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 131' ' ' ASN . 1.6 mp0 37.26 31.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 10.0 110.289 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 131' ' ' ASN . 0.1 OUTLIER -160.9 -61.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 10.0 110.281 -179.939 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' SER . . . . . 0.462 ' CB ' ' HA2' ' A' ' 130' ' ' GLY . 1.6 m -91.3 -21.21 21.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 10.0 110.039 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' THR . . . . . 0.455 ' N ' ' HA2' ' A' ' 130' ' ' GLY . 6.6 t -65.27 -23.99 67.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 10.0 110.382 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 7.9 mttt -107.48 -32.9 7.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 10.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' THR . . . . . 0.439 ' O ' ' NH2' ' A' ' 79' ' ' ARG . 81.3 p -137.34 -100.5 0.19 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 10.0 110.408 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . 0.481 ' HA3' ' CB ' ' A' ' 124' ' ' ASP . . . -174.71 43.89 0.13 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.523 1.139 . . . . 10.0 111.008 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . 0.421 ' ND2' ' HE2' ' A' ' 128' ' ' LYS . 54.3 t30 43.03 30.16 0.24 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 0.765 . . . . 10.0 109.309 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.462 ' CB ' ' HB3' ' A' ' 122' ' ' LYS . . . -159.53 42.31 0.22 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 10.0 109.287 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . 0.459 ' HA2' ' CE1' ' A' ' 120' ' ' HIS . . . -107.27 104.24 2.1 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.553 1.158 . . . . 10.0 111.005 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 1.8 t -162.31 94.6 0.9 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 0.774 . . . . 10.0 110.005 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.19 128.81 6.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 10.0 110.25 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.1 mp -120.51 -67.75 0.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 10.0 109.301 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . 0.507 ' CB ' HD13 ' A' ' 8' ' ' LEU . . . -77.42 175.64 9.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 10.0 109.265 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' CYS . . . . . 1.208 ' SG ' ' SG ' ' A' ' 57' ' ' CYS . 2.1 t -157.77 72.83 0.67 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 10.0 108.32 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . 0.401 ' HA3' ' CD2' ' A' ' 8' ' ' LEU . . . -89.48 69.74 2.49 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.521 1.138 . . . . 10.0 110.969 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . 0.504 ' CG2' ' OG1' ' A' ' 116' ' ' THR . 2.7 t -57.86 118.36 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.517 0.775 . . . . 10.0 109.262 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' ILE . . . . . 0.565 HG12 ' CD1' ' A' ' 20' ' ' PHE . 2.2 mp -70.88 133.7 31.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 10.0 109.272 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -148.88 130.42 3.38 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.492 1.12 . . . . 10.0 110.972 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . 0.466 ' CD1' HG21 ' A' ' 2' ' ' THR . 22.7 mm -42.95 155.92 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.521 0.777 . . . . 10.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -113.34 175.94 5.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 10.0 109.314 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 10.0 110.298 -179.996 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.465 ' N ' ' O ' ' A' ' 22' ' ' GLN . . . . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.249 -0.648 . . . . 10.0 109.249 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.418 ' O ' ' HA ' ' A' ' 21' ' ' GLU . 82.4 m -112.88 173.95 6.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 10.0 110.405 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.9 tmtt? -112.83 94.83 5.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 10.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.438 ' HB2' ' CG2' ' A' ' 149' ' ' ILE . . . -84.4 154.92 22.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 10.0 109.273 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.1 t -131.06 155.68 42.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 10.0 109.321 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.404 ' CB ' ' O ' ' A' ' 147' ' ' GLY . . . -155.47 89.14 1.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 10.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.4 p -84.31 108.79 16.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 10.0 109.293 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.492 ' CD2' ' N ' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -54.89 137.57 45.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 10.0 109.304 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.2 tttt -173.29 116.46 0.27 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 10.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -172.3 -84.43 0.06 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.527 1.142 . . . . 10.0 111.001 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -42.46 -41.98 3.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.438 0.728 . . . . 10.0 109.301 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 132.27 -58.85 0.69 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.468 1.105 . . . . 10.0 111.012 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -32.63 5.21 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.477 1.777 . . . . 10.0 110.973 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.5 t -71.34 99.02 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 10.0 109.277 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -122.26 41.63 3.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 10.0 110.289 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.466 ' CA ' ' HA ' ' A' ' 35' ' ' ILE . . . -56.71 163.41 6.26 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.526 1.141 . . . . 10.0 111.026 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 59.2 mt -139.15 101.09 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.499 0.764 . . . . 10.0 109.261 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.565 HD12 ' CD1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -125.45 136.7 60.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.543 1.152 . . . . 10.0 109.31 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -123.61 169.71 11.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 10.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.578 ' CD1' HG12 ' A' ' 149' ' ' ILE . 4.2 m-85 -138.39 98.5 3.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.418 1.074 . . . . 10.0 110.973 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 30' ' ' LYS . 44.9 tt0 -117.5 135.86 53.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 10.0 110.341 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.465 ' O ' ' N ' ' A' ' 1' ' ' ALA . 3.6 tt0 -137.22 59.38 1.68 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 10.0 110.278 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -76.47 66.15 2.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 10.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.507 ' O ' ' CB ' ' A' ' 25' ' ' SER . 20.7 mm-40 -127.92 -53.18 1.32 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.142 . . . . 10.0 110.287 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.507 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 0.7 OUTLIER 85.69 -16.93 0.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 10.0 110.03 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 51.5 p30 -154.48 23.64 0.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 10.0 109.279 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -133.52 -175.9 14.15 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.464 1.103 . . . . 10.0 111.013 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.44 ' CG ' ' HB3' ' A' ' 100' ' ' GLU . 18.3 Cg_endo -75.0 170.07 21.23 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.503 1.791 . . . . 10.0 111.003 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 84.1 t -93.84 130.39 42.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 10.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 21' ' ' GLU . 8.2 mttt -75.72 98.0 3.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 10.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.45 HG23 ' CE2' ' A' ' 20' ' ' PHE . 95.1 t -101.8 115.41 43.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 10.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 1.2 p90 -152.08 155.15 37.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 10.0 107.999 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -176.84 -173.92 42.84 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.456 1.097 . . . . 10.0 110.952 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 59.8 p -156.7 120.3 4.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 0.779 . . . . 10.0 110.036 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.504 ' O ' ' CG ' ' A' ' 36' ' ' LYS . 0.2 OUTLIER -83.25 163.83 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 10.0 109.252 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.504 ' CG ' ' O ' ' A' ' 35' ' ' ILE . 8.0 mttt -157.32 106.33 2.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 10.0 109.277 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 144.81 -45.31 0.85 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.525 1.141 . . . . 10.0 110.98 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.526 HD21 ' CG ' ' A' ' 43' ' ' HIS . 0.5 OUTLIER -53.06 -171.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 0.776 . . . . 10.0 109.303 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.524 ' O ' ' CE1' ' A' ' 43' ' ' HIS . 1.9 p -132.01 134.61 45.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 10.0 110.413 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.47 ' HA ' ' CB ' ' A' ' 89' ' ' ALA . 15.2 pt-20 -37.57 123.01 0.97 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 10.0 110.291 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 147.27 -157.91 27.55 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.474 1.109 . . . . 10.0 111.031 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.455 ' O ' ' ND1' ' A' ' 43' ' ' HIS . 9.5 mp -77.19 147.41 36.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 0.786 . . . . 10.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.526 ' CG ' HD21 ' A' ' 38' ' ' LEU . 55.6 m-70 -147.15 114.61 6.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 10.0 109.581 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.443 ' CA ' ' HB2' ' A' ' 120' ' ' HIS . . . -54.52 148.68 20.92 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.471 1.107 . . . . 10.0 111.002 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -118.01 109.33 16.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 0.773 . . . . 10.0 111.026 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.485 ' O ' ' CG2' ' A' ' 47' ' ' VAL . 54.7 m170 -90.35 173.22 8.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 10.0 109.601 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.485 ' CG2' ' O ' ' A' ' 46' ' ' HIS . 32.4 t -159.44 76.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 10.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.52 ' CG ' ' HB ' ' A' ' 116' ' ' THR . 0.1 OUTLIER -40.75 149.25 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.553 1.158 . . . . 10.0 109.57 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -83.08 99.62 9.98 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 10.0 110.337 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -39.48 102.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 10.0 110.287 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -156.05 -161.86 1.2 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.526 1.141 . . . . 10.0 110.304 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.72 98.1 0.5 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 10.0 109.257 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -140.17 66.33 1.39 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 10.0 109.304 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.4 ' O ' ' CB ' ' A' ' 55' ' ' ALA . 0.3 OUTLIER -121.24 117.52 27.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 10.0 110.38 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.4 ' CB ' ' O ' ' A' ' 54' ' ' THR . . . 170.54 -62.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 10.0 109.268 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 155.49 64.21 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.529 1.143 . . . . 10.0 111.022 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 2.8 m 43.28 85.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.344 -0.984 . . . . 10.0 108.344 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -90.74 -42.39 10.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 10.0 110.38 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.4 m 50.83 96.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 10.0 109.996 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -122.63 -61.07 1.49 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.53 1.144 . . . . 10.0 109.271 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -137.45 81.33 0.28 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.462 1.101 . . . . 10.0 111.022 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -172.77 1.35 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.503 1.791 . . . . 10.0 111.047 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -154.54 -46.81 0.09 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.114 . . . . 10.0 109.564 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.405 ' CD1' ' HA ' ' A' ' 48' ' ' HIS . 57.3 m-85 47.46 50.0 15.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 10.0 111.008 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.472 ' N ' ' HD3' ' A' ' 66' ' ' PRO . 54.3 t30 -136.3 61.77 40.6 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 10.0 109.26 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.499 ' O ' ' CB ' ' A' ' 67' ' ' LEU . 18.4 Cg_endo -75.05 56.58 4.33 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.519 1.799 . . . . 10.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.499 ' CB ' ' O ' ' A' ' 66' ' ' PRO . 0.3 OUTLIER 87.82 -17.94 0.29 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 10.0 109.314 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.521 ' C ' ' H ' ' A' ' 70' ' ' LYS . 96.1 p -54.22 -29.18 45.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 10.0 110.019 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.512 ' HB2' ' O ' ' A' ' 68' ' ' SER . 0.1 OUTLIER 74.54 -33.47 0.25 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 10.0 110.298 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.521 ' H ' ' C ' ' A' ' 68' ' ' SER . 32.6 mtmt 69.19 -178.19 0.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 10.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 8.8 m80 68.18 29.92 5.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 10.0 109.62 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -111.72 -160.79 16.16 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.467 1.104 . . . . 10.0 110.987 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 98.41 -104.64 2.97 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.039 -0.824 . . . . 10.0 111.039 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 52.76 3.15 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.495 1.787 . . . . 10.0 110.993 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.22 -37.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.447 1.092 . . . . 10.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 69.87 92.11 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 10.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.478 ' O ' ' CB ' ' A' ' 78' ' ' GLU . 6.0 tp10 -114.27 -17.53 11.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 10.0 110.294 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.516 ' CG ' ' N ' ' A' ' 79' ' ' ARG . 2.8 tt0 162.46 -87.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 10.0 110.28 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.516 ' N ' ' CG ' ' A' ' 78' ' ' GLU . 2.1 ptt85 41.49 -163.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 10.0 110.336 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.417 ' CB ' ' O ' ' A' ' 79' ' ' ARG . 2.9 t-160 81.32 11.74 0.78 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 10.0 109.645 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 1.3 t -126.62 5.78 3.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 10.0 109.328 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -177.94 -59.74 0.07 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.504 1.127 . . . . 10.0 111.039 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.95 142.18 38.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 0.734 . . . . 10.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -133.09 14.97 4.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 10.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 82.54 -99.21 2.06 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.501 1.126 . . . . 10.0 110.974 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.438 ' ND2' ' CD2' ' A' ' 42' ' ' LEU . 21.5 p30 -151.48 152.24 32.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 0.788 . . . . 10.0 109.345 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 9.8 m -99.64 -147.17 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 10.0 109.28 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 42.6 m -155.35 128.86 8.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 10.0 110.397 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.47 ' CB ' ' HA ' ' A' ' 40' ' ' GLU . . . -84.2 175.37 9.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 10.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.449 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 13.2 t0 -80.85 -97.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 10.0 109.342 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.449 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 9.7 pttt -138.05 10.7 2.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 10.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -154.26 23.56 0.48 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 10.0 109.237 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.458 ' HA3' ' C ' ' A' ' 38' ' ' LEU . . . 90.47 -32.04 5.19 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.508 1.13 . . . . 10.0 111.025 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.489 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 21.1 t -41.77 103.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.49 0.759 . . . . 10.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -105.93 117.37 33.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 10.0 109.298 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -103.38 153.35 20.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 10.0 109.286 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 57.4 t -133.39 155.87 41.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 10.0 109.279 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.412 ' C ' ' CG1' ' A' ' 99' ' ' ILE . 92.0 p -172.53 97.02 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 10.0 109.986 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.412 ' CG1' ' C ' ' A' ' 98' ' ' SER . 0.8 OUTLIER -149.03 170.92 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 10.0 109.262 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.44 ' HB3' ' CG ' ' A' ' 28' ' ' PRO . 0.6 OUTLIER -124.01 94.82 4.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 10.0 110.289 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -96.38 117.82 31.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 10.0 109.28 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.45 ' C ' ' N ' ' A' ' 104' ' ' ILE . 80.7 p -98.4 -32.09 11.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 10.0 110.012 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 53.4 t -41.1 -28.95 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 10.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.45 ' N ' ' C ' ' A' ' 102' ' ' SER . 2.6 pp -121.26 170.35 11.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.103 . . . . 10.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.426 ' CB ' ' OE1' ' A' ' 22' ' ' GLN . 27.9 p -170.8 -179.81 2.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 10.0 109.997 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.571 ' CD2' ' N ' ' A' ' 106' ' ' LEU . 0.2 OUTLIER -108.93 39.69 1.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 10.0 109.34 179.939 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -106.3 159.69 15.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 10.0 109.964 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -66.23 77.39 0.12 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.487 1.117 . . . . 10.0 110.999 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 172.09 -51.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 0.754 . . . . 10.0 109.271 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 11.3 m80 -115.12 11.69 16.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 10.0 109.565 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 43.5 p -40.69 111.92 0.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 10.0 109.968 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.443 ' CG2' ' HB ' ' A' ' 104' ' ' ILE . 1.2 pt -103.6 20.24 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 10.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 17.5 mm -70.6 70.49 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.432 1.083 . . . . 10.0 109.267 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 170.87 39.23 0.03 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.495 1.122 . . . . 10.0 111.016 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.444 ' O ' ' CD1' ' A' ' 149' ' ' ILE . 16.7 mtt180 -100.12 88.6 3.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 0.755 . . . . 10.0 110.296 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.52 ' HB ' ' CG ' ' A' ' 48' ' ' HIS . 14.2 m -68.94 61.21 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 10.0 110.427 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.402 ' N ' ' O ' ' A' ' 115' ' ' ARG . 1.7 tp -45.63 110.02 0.22 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 10.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.466 ' CG1' ' O ' ' A' ' 145' ' ' ALA . 0.0 OUTLIER -116.55 97.52 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 10.0 109.32 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.41 ' O ' ' O ' ' A' ' 143' ' ' ARG . 17.6 t -46.28 171.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.121 . . . . 10.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.445 ' CD2' ' O ' ' A' ' 140' ' ' ALA . 1.0 OUTLIER -99.42 123.45 43.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 10.0 109.586 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -44.7 -34.36 2.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 10.0 110.329 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.41 175.12 11.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 10.0 109.281 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.31 -166.1 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.089 . . . . 10.0 109.277 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -154.47 93.9 1.64 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 10.0 109.286 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.61 -25.24 67.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 10.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 3.5 mt 56.65 18.28 3.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 10.0 109.255 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -178.4 62.07 0.08 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.446 1.091 . . . . 10.0 111.0 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.2 -77.19 0.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 0.774 . . . . 10.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -163.99 29.79 0.24 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.499 1.124 . . . . 10.0 111.024 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -152.04 -173.75 22.0 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.973 -0.851 . . . . 10.0 110.973 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . 0.524 ' O ' ' CB ' ' A' ' 132' ' ' GLU . 35.2 m-20 -153.54 149.7 27.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 0.749 . . . . 10.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . 0.524 ' CB ' ' O ' ' A' ' 131' ' ' ASN . 7.9 tt0 88.14 11.81 0.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 10.0 110.283 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -134.98 -81.7 0.43 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 10.0 110.318 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' SER . . . . . 0.44 ' HA ' ' N ' ' A' ' 138' ' ' GLY . 4.8 m -58.19 -26.04 62.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.165 . . . . 10.0 110.004 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 31.8 p -63.41 -35.02 79.05 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.436 1.085 . . . . 10.0 110.378 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 9.2 pttt -94.19 -32.92 13.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 10.0 109.289 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 32.8 p -125.77 -98.2 0.41 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.155 . . . . 10.0 110.367 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . 0.44 ' N ' ' HA ' ' A' ' 134' ' ' SER . . . 166.14 40.83 0.02 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.514 1.133 . . . . 10.0 110.993 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 48.5 24.74 0.79 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 0.783 . . . . 10.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.445 ' O ' ' CD2' ' A' ' 120' ' ' HIS . . . -145.32 21.92 1.52 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 10.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -75.79 85.52 0.87 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.475 1.11 . . . . 10.0 110.96 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.38 1.06 11.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 0.746 . . . . 10.0 110.007 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . 0.43 ' NH1' ' HB2' ' A' ' 143' ' ' ARG . 0.1 OUTLIER 65.63 -84.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 10.0 110.31 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.404 ' O ' ' O ' ' A' ' 143' ' ' ARG . 16.2 mt 61.63 143.78 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 10.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . 0.466 ' O ' ' CG1' ' A' ' 118' ' ' VAL . . . 56.07 168.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 10.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' CYS . . . . . 0.428 ' O ' ' N ' ' A' ' 148' ' ' VAL . 11.0 p -155.56 68.17 0.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 10.0 108.321 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . 0.404 ' O ' ' CB ' ' A' ' 6' ' ' ALA . . . -67.98 60.52 0.37 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.547 1.155 . . . . 10.0 111.018 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . 0.428 ' N ' ' O ' ' A' ' 146' ' ' CYS . 3.3 t -61.28 131.77 26.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 0.77 . . . . 10.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' ILE . . . . . 0.578 HG12 ' CD1' ' A' ' 20' ' ' PHE . 4.6 mp -86.15 112.84 23.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 10.0 109.292 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -126.78 154.2 19.16 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.531 1.145 . . . . 10.0 110.976 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 18.9 mm -57.72 138.53 18.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.547 0.792 . . . . 10.0 109.328 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -141.13 157.5 45.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.155 . . . . 10.0 109.305 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 1.6 pm0 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 10.0 110.32 179.975 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.287 -0.634 . . . . 10.0 109.287 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.465 HG21 ' CD1' ' A' ' 151' ' ' ILE . 41.4 m -124.09 154.06 40.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 10.0 110.406 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.4 tmtt? -138.98 110.79 7.17 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.485 1.115 . . . . 10.0 109.288 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.513 ' CB ' ' HB2' ' A' ' 20' ' ' PHE . . . -84.54 159.91 20.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.415 1.072 . . . . 10.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.9 t -143.45 155.35 16.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 10.0 109.326 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.472 ' CB ' HG22 ' A' ' 18' ' ' ILE . . . -146.8 91.76 2.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 10.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.7 p -83.7 92.87 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 10.0 109.302 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.49 ' HB2' ' N ' ' A' ' 16' ' ' GLY . 3.3 mm? -44.04 131.93 5.66 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 10.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.9 tttm -168.01 102.58 0.46 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 10.0 109.314 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 11' ' ' ASP . . . -163.26 -93.28 0.09 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.472 1.107 . . . . 10.0 110.97 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 10' ' ' GLY . 24.9 t70 -38.59 -65.46 0.35 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 0.791 . . . . 10.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 155.02 -59.36 0.38 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.501 1.126 . . . . 10.0 111.022 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.407 ' O ' ' O ' ' A' ' 36' ' ' LYS . 18.0 Cg_endo -75.05 -34.51 3.72 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.478 1.778 . . . . 10.0 110.962 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.448 HG23 ' CD1' ' A' ' 144' ' ' LEU . 31.2 t -71.21 94.75 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 10.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -120.85 47.13 1.87 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 10.0 110.281 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.49 ' N ' ' HB2' ' A' ' 8' ' ' LEU . . . -59.52 166.7 8.87 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.544 1.152 . . . . 10.0 110.987 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 22.0 mt -139.39 99.35 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.499 0.764 . . . . 10.0 109.272 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.521 ' CD1' ' N ' ' A' ' 19' ' ' ASN . 0.1 OUTLIER -108.34 135.2 47.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 10.0 109.341 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.521 ' N ' ' CD1' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -131.23 145.32 51.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 10.0 109.291 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.581 ' CE1' ' CG1' ' A' ' 31' ' ' VAL . 5.5 m-85 -115.62 135.75 53.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 10.0 110.948 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.467 ' HB2' ' CH2' ' A' ' 32' ' ' TRP . 4.3 tp10 -130.49 128.1 40.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 10.0 110.29 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.44 ' HB2' ' CG1' ' A' ' 29' ' ' VAL . 1.6 tt0 -145.27 64.62 1.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.426 1.079 . . . . 10.0 110.295 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 22.3 mtmt -72.78 63.95 0.64 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.562 1.164 . . . . 10.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.51 ' O ' ' CB ' ' A' ' 25' ' ' SER . 0.2 OUTLIER -153.72 -49.41 0.09 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.451 1.094 . . . . 10.0 110.307 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.51 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 0.3 OUTLIER 85.65 -13.44 0.61 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 10.0 109.971 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -156.21 24.65 0.36 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.137 . . . . 10.0 109.345 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -124.17 -159.5 10.46 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.537 1.148 . . . . 10.0 110.997 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 142.52 27.8 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.469 1.773 . . . . 10.0 110.999 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.44 ' CG1' ' HB2' ' A' ' 22' ' ' GLN . 10.9 t -101.48 103.0 14.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.424 1.077 . . . . 10.0 109.271 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.511 ' O ' ' CZ3' ' A' ' 32' ' ' TRP . 59.6 mttt -73.23 100.11 3.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 10.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.581 ' CG1' ' CE1' ' A' ' 20' ' ' PHE . 40.4 t -101.27 143.41 14.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 10.0 109.253 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.511 ' CZ3' ' O ' ' A' ' 30' ' ' LYS . 35.6 p90 -164.11 145.19 8.54 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.996 -1.113 . . . . 10.0 107.996 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.408 ' O ' ' HA ' ' A' ' 96' ' ' ASP . . . -158.58 -174.21 27.98 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.51 1.131 . . . . 10.0 111.015 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 21.5 p -157.14 120.42 4.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 0.753 . . . . 10.0 110.029 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.518 ' O ' ' CG ' ' A' ' 36' ' ' LYS . 0.1 OUTLIER -83.93 165.83 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 10.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.518 ' CG ' ' O ' ' A' ' 35' ' ' ILE . 14.6 mttm -157.1 111.56 2.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 10.0 109.267 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.437 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 142.1 -48.47 0.79 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.496 1.123 . . . . 10.0 111.02 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.528 HD23 ' CG ' ' A' ' 43' ' ' HIS . 0.8 OUTLIER -52.88 -172.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 0.782 . . . . 10.0 109.334 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.561 ' O ' ' CE1' ' A' ' 43' ' ' HIS . 20.0 p -129.64 139.46 51.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 10.0 110.411 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.423 ' HA ' ' CB ' ' A' ' 89' ' ' ALA . 1.5 pt-20 -36.42 130.77 0.68 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 10.0 110.271 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.412 ' O ' ' HA ' ' A' ' 88' ' ' THR . . . 139.33 -161.01 26.05 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.51 1.131 . . . . 10.0 111.019 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.456 ' O ' ' ND1' ' A' ' 43' ' ' HIS . 0.4 OUTLIER -77.32 142.99 39.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 0.776 . . . . 10.0 109.28 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.561 ' CE1' ' O ' ' A' ' 39' ' ' THR . 21.4 m-70 -141.75 123.21 14.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 10.0 109.586 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.468 ' H ' ' CD2' ' A' ' 120' ' ' HIS . . . -59.12 172.05 4.6 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.536 1.147 . . . . 10.0 111.0 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -138.12 68.95 1.39 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.539 0.788 . . . . 10.0 110.978 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.503 ' O ' ' CG2' ' A' ' 47' ' ' VAL . 57.1 m170 -52.78 174.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 10.0 109.63 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.503 ' CG2' ' O ' ' A' ' 46' ' ' HIS . 8.2 t -161.73 74.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 10.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.56 ' HB2' ' CE2' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -45.11 163.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 10.0 109.6 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.456 ' O ' ' CE1' ' A' ' 48' ' ' HIS . 2.3 mt-10 -93.35 -163.42 1.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 10.0 110.329 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -103.58 169.97 8.22 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.525 1.141 . . . . 10.0 110.311 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -176.7 -53.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 10.0 110.282 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.41 ' O ' ' CG ' ' A' ' 53' ' ' ASN . 32.2 m-20 39.92 87.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 10.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.41 ' CG ' ' O ' ' A' ' 52' ' ' ASP . 6.3 m-20 170.01 52.97 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 10.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.42 ' O ' ' CB ' ' A' ' 55' ' ' ALA . 0.0 OUTLIER -155.01 -48.53 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 10.0 110.383 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.42 ' CB ' ' O ' ' A' ' 54' ' ' THR . . . 167.97 -75.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 10.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -163.78 -65.56 0.02 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.495 1.122 . . . . 10.0 110.994 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 1.242 ' SG ' ' SG ' ' A' ' 146' ' ' CYS . 21.3 t -156.12 90.0 1.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.315 -0.995 . . . . 10.0 108.315 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 71.5 p -141.43 -151.14 0.35 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 10.0 110.408 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.5 m -110.33 77.82 1.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.562 1.164 . . . . 10.0 109.992 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -99.87 -50.42 4.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 10.0 109.334 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 159.9 83.26 0.05 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.506 1.129 . . . . 10.0 110.968 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 99.22 1.23 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.483 1.781 . . . . 10.0 111.028 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.403 ' O ' ' C ' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -84.54 -76.19 0.32 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 10.0 109.615 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.56 ' CE2' ' HB2' ' A' ' 48' ' ' HIS . 0.2 OUTLIER 36.78 -150.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.52 1.137 . . . . 10.0 111.04 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -155.7 65.8 4.39 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 10.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 47.52 1.77 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.55 1.816 . . . . 10.0 111.009 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.479 ' O ' ' N ' ' A' ' 69' ' ' ARG . 1.2 pp -144.41 14.36 1.61 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 10.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 67' ' ' LEU . 0.3 OUTLIER 37.36 30.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 10.0 109.966 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.479 ' N ' ' O ' ' A' ' 67' ' ' LEU . 1.5 mtt-85 73.98 -54.21 0.68 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 10.0 110.304 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -170.72 161.63 7.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 10.0 109.247 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -89.56 117.1 28.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 10.0 109.589 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -159.97 -98.19 0.13 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.53 1.144 . . . . 10.0 111.001 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -94.31 137.33 13.46 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.997 -0.841 . . . . 10.0 110.997 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.527 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 18.2 Cg_endo -75.0 73.66 4.25 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.475 1.777 . . . . 10.0 111.004 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.527 ' CB ' ' O ' ' A' ' 74' ' ' PRO . 0.0 OUTLIER 89.4 26.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 10.0 109.358 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -122.63 -68.4 0.89 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 10.0 109.317 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -102.89 11.79 36.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 10.0 110.29 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -176.76 -166.51 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 10.0 110.324 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.492 ' O ' ' CB ' ' A' ' 80' ' ' HIS . 3.1 mpt_? 65.29 169.67 0.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 10.0 110.296 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.492 ' CB ' ' O ' ' A' ' 79' ' ' ARG . 1.9 t-80 87.36 12.1 0.12 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.554 1.159 . . . . 10.0 109.554 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 90.3 t -141.74 67.8 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.085 . . . . 10.0 109.297 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.463 ' O ' ' N ' ' A' ' 47' ' ' VAL . . . 116.51 -53.32 0.63 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.433 1.083 . . . . 10.0 110.995 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -90.93 158.66 16.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 0.774 . . . . 10.0 109.274 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.4 tt -147.64 50.77 1.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 10.0 109.294 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 65.93 -160.73 44.82 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.507 1.129 . . . . 10.0 111.007 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -126.38 175.33 7.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 0.753 . . . . 10.0 109.291 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.436 ' CG2' ' N ' ' A' ' 88' ' ' THR . 5.1 m -133.37 -147.04 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 10.0 109.266 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.436 ' N ' ' CG2' ' A' ' 87' ' ' VAL . 3.8 m -154.91 135.99 13.87 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.504 1.127 . . . . 10.0 110.392 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.423 ' CB ' ' HA ' ' A' ' 40' ' ' GLU . . . -85.18 175.58 8.88 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 10.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.439 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 12.1 t0 -84.26 -96.08 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 10.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.439 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 8.9 pttt -138.48 12.04 2.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 10.0 109.274 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -157.78 26.08 0.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 10.0 109.286 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.433 ' HA3' ' C ' ' A' ' 38' ' ' LEU . . . 92.07 -34.79 4.25 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.496 1.122 . . . . 10.0 111.008 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.49 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 20.5 t -38.98 100.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.485 0.756 . . . . 10.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -105.65 117.98 35.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 10.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.408 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 2.8 p-10 -106.87 152.93 23.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.108 . . . . 10.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.415 HG13 ' N ' ' A' ' 98' ' ' SER . 97.7 t -127.63 159.28 38.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 10.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.415 ' N ' HG13 ' A' ' 97' ' ' VAL . 59.6 p -165.39 90.69 0.49 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 10.0 109.975 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 6.7 mt -120.34 149.84 23.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 10.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -141.76 88.62 2.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 10.0 110.316 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -128.03 156.84 42.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 10.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 89.0 p -120.11 28.83 7.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 10.0 110.023 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 95.7 t -90.55 -36.84 8.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 10.0 109.302 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -83.25 -171.16 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.16 . . . . 10.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 17.6 t -160.79 170.59 20.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 10.0 110.008 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.476 ' HA ' ' CD1' ' A' ' 112' ' ' ILE . 9.0 mp -92.15 -42.94 9.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 10.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.46 80.09 1.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 10.0 110.001 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -151.15 -99.75 0.2 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.477 1.11 . . . . 10.0 110.97 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -113.92 -34.02 5.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 0.781 . . . . 10.0 109.25 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 11.5 m80 -119.7 65.15 0.81 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.57 1.169 . . . . 10.0 109.614 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 97.7 p -68.81 125.19 25.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 10.0 109.968 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.546 HG13 ' CD2' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -83.98 -3.25 7.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 10.0 109.283 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.41 HG22 ' N ' ' A' ' 114' ' ' GLY . 5.2 mt -72.92 150.67 8.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 10.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.41 ' N ' HG22 ' A' ' 113' ' ' ILE . . . 65.03 24.83 70.51 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.49 1.119 . . . . 10.0 110.981 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 23.2 mtp180 -116.0 59.66 0.73 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 0.78 . . . . 10.0 110.315 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.513 ' OG1' ' N ' ' A' ' 148' ' ' VAL . 1.2 t -56.66 166.51 0.92 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 10.0 110.404 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.583 ' O ' ' CD2' ' A' ' 117' ' ' LEU . 0.0 OUTLIER -130.35 115.04 16.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 10.0 109.307 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.433 ' CG1' ' O ' ' A' ' 145' ' ' ALA . 0.1 OUTLIER -113.08 78.61 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.127 . . . . 10.0 109.29 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.441 HG22 ' CD1' ' A' ' 38' ' ' LEU . 1.5 m -49.43 145.96 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 10.0 109.297 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.604 ' CD2' ' O ' ' A' ' 122' ' ' LYS . 0.8 OUTLIER -83.85 161.86 20.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 10.0 109.645 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.502 ' O ' ' CB ' ' A' ' 122' ' ' LYS . 5.8 tt0 -96.45 54.14 1.35 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 10.0 110.258 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.604 ' O ' ' CD2' ' A' ' 120' ' ' HIS . 0.3 OUTLIER 164.18 157.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 10.0 109.272 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -92.19 129.18 38.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.572 1.17 . . . . 10.0 109.279 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -62.46 -13.82 34.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 10.0 109.31 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 22.4 t0 60.84 26.92 16.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 10.0 109.283 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 7.0 mt 53.57 20.33 2.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 10.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 123.44 86.74 0.77 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.542 1.151 . . . . 10.0 110.951 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.78 -33.5 4.46 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.557 0.798 . . . . 10.0 109.273 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 103.03 -5.49 50.14 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.51 1.131 . . . . 10.0 110.965 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -69.73 -164.23 4.25 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.996 -0.842 . . . . 10.0 110.996 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . 0.471 ' O ' ' CB ' ' A' ' 132' ' ' GLU . 7.9 m120 -148.42 127.67 12.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 0.758 . . . . 10.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . 0.471 ' CB ' ' O ' ' A' ' 131' ' ' ASN . 13.0 tt0 84.01 -11.07 0.88 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 10.0 110.265 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -118.0 -57.87 2.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.417 1.073 . . . . 10.0 110.284 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' SER . . . . . 0.507 ' HA ' ' CA ' ' A' ' 138' ' ' GLY . 0.0 OUTLIER -84.34 -29.57 26.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 10.0 110.007 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.84 -4.27 23.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 10.0 110.398 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 2.4 ttpt -105.59 -59.75 1.72 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 10.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 23.4 p -117.73 -32.98 4.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.088 . . . . 10.0 110.39 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . 0.509 ' O ' ' CB ' ' A' ' 139' ' ' ASN . . . 120.89 8.8 7.86 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.518 1.136 . . . . 10.0 110.976 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . 0.509 ' CB ' ' O ' ' A' ' 138' ' ' GLY . 5.1 t-20 83.76 25.18 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 0.775 . . . . 10.0 109.344 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.477 ' HB2' ' CB ' ' A' ' 122' ' ' LYS . . . -161.44 79.12 0.58 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 10.0 109.317 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -147.43 81.54 0.2 Allowed Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.495 1.122 . . . . 10.0 111.024 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.81 5.9 5.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.413 0.714 . . . . 10.0 109.992 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 59.27 -175.99 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 10.0 110.263 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.448 ' CD1' HG23 ' A' ' 14' ' ' VAL . 15.4 mt -155.35 -99.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 10.0 109.364 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . 0.433 ' O ' ' CG1' ' A' ' 118' ' ' VAL . . . -108.84 156.81 19.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 10.0 109.323 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' CYS . . . . . 1.242 ' SG ' ' SG ' ' A' ' 57' ' ' CYS . 1.2 p -121.2 72.63 1.0 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 10.0 108.307 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . 0.415 ' O ' ' HB ' ' A' ' 148' ' ' VAL . . . -51.7 -45.16 54.97 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.475 1.11 . . . . 10.0 111.009 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . 0.513 ' N ' ' OG1' ' A' ' 116' ' ' THR . 2.2 t 66.89 114.98 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 0.772 . . . . 10.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' ILE . . . . . 0.577 HG12 ' CE1' ' A' ' 20' ' ' PHE . 4.2 mp -84.01 93.53 3.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.501 1.126 . . . . 10.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -113.96 158.41 14.32 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.483 1.114 . . . . 10.0 110.996 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . 0.465 ' CD1' HG21 ' A' ' 2' ' ' THR . 35.1 mm -66.28 147.47 12.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.433 0.725 . . . . 10.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -143.06 167.48 21.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 10.0 109.298 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 10.0 110.268 -179.961 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.512 ' CB ' ' O ' ' A' ' 22' ' ' GLN . . . . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.286 -0.635 . . . . 10.0 109.286 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.9 p -139.34 176.63 8.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 10.0 110.412 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.469 ' CB ' ' HA ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -94.76 131.67 40.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 10.0 109.267 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.466 ' HB2' ' CG2' ' A' ' 149' ' ' ILE . . . -107.43 163.54 12.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 10.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 14.0 t -130.4 159.7 42.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 10.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.415 ' CB ' ' O ' ' A' ' 147' ' ' GLY . . . -155.99 91.67 1.3 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 10.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 56.6 t -82.42 98.45 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 10.0 109.325 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.497 ' CD2' HG21 ' A' ' 18' ' ' ILE . 3.1 mm? -41.09 144.06 0.33 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 10.0 109.294 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.0 tttt 178.2 125.13 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 10.0 109.299 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 170.82 -91.73 0.1 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.57 1.169 . . . . 10.0 110.995 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -40.04 -66.32 0.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 0.77 . . . . 10.0 109.271 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.401 ' N ' ' CD ' ' A' ' 13' ' ' PRO . . . 157.49 -56.55 0.37 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.502 1.126 . . . . 10.0 110.994 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.41 ' O ' ' O ' ' A' ' 36' ' ' LYS . 18.3 Cg_endo -74.99 -52.37 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.518 1.799 . . . . 10.0 111.016 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 71.7 t -62.38 94.7 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 10.0 109.288 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -133.87 50.3 2.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 10.0 110.277 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.497 ' N ' ' HB2' ' A' ' 8' ' ' LEU . . . -75.61 -171.62 30.72 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.474 1.109 . . . . 10.0 110.982 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.423 HG13 ' C ' ' A' ' 16' ' ' GLY . 65.0 mt -142.98 116.97 3.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.531 0.783 . . . . 10.0 109.315 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.511 ' C ' ' CD1' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -122.61 133.34 69.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 10.0 109.291 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -122.65 150.66 42.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 10.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.627 ' CE2' ' CG2' ' A' ' 31' ' ' VAL . 2.9 m-85 -123.93 94.13 4.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 10.0 110.99 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.469 ' HA ' ' CB ' ' A' ' 3' ' ' LYS . 32.9 tt0 -83.75 122.89 29.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 10.0 110.275 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.512 ' O ' ' CB ' ' A' ' 1' ' ' ALA . 0.3 OUTLIER -150.41 61.62 0.96 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.453 1.095 . . . . 10.0 110.324 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.467 ' HA ' ' O ' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -94.87 65.18 2.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 10.0 109.3 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.433 ' HB3' ' N ' ' A' ' 27' ' ' GLY . 1.2 mt-10 -155.6 138.82 15.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 10.0 110.325 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 53.5 m -77.02 -7.49 55.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 10.0 110.02 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 12.0 m-20 -155.47 28.94 0.39 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 10.0 109.262 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.433 ' N ' ' HB3' ' A' ' 24' ' ' GLU . . . -108.53 156.01 15.9 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.468 1.105 . . . . 10.0 110.981 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.408 ' HB3' ' CA ' ' A' ' 102' ' ' SER . 18.5 Cg_endo -75.01 168.23 25.29 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.503 1.791 . . . . 10.0 111.025 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 42.8 t -96.08 98.02 7.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 10.0 109.313 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.464 ' HG2' ' CG ' ' A' ' 100' ' ' GLU . 34.0 mttt -60.66 89.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 10.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.627 ' CG2' ' CE2' ' A' ' 20' ' ' PHE . 45.6 t -84.76 117.91 30.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 10.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -149.93 160.93 43.22 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.955 -1.128 . . . . 10.0 107.955 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.59 -171.26 44.36 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.53 1.144 . . . . 10.0 111.011 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 80.4 p -156.68 122.72 4.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 0.766 . . . . 10.0 109.999 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.49 ' O ' ' CG ' ' A' ' 36' ' ' LYS . 0.4 OUTLIER -83.87 165.83 2.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.434 1.084 . . . . 10.0 109.274 -179.943 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.49 ' CG ' ' O ' ' A' ' 35' ' ' ILE . 21.3 mttm -156.06 108.26 2.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 10.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.457 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 144.24 -47.89 0.75 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.504 1.127 . . . . 10.0 110.967 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.572 ' CD2' ' CG ' ' A' ' 43' ' ' HIS . 3.5 mp -51.98 -172.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 0.767 . . . . 10.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.437 ' O ' ' NE2' ' A' ' 43' ' ' HIS . 21.5 p -132.73 137.31 46.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 10.0 110.401 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.432 ' O ' ' CG ' ' A' ' 40' ' ' GLU . 5.6 pt-20 -36.63 122.06 0.77 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.574 1.171 . . . . 10.0 110.301 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.414 ' O ' ' HA ' ' A' ' 88' ' ' THR . . . 146.51 -157.58 27.44 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.451 1.094 . . . . 10.0 111.023 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.574 ' CD1' ' N ' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -92.18 157.43 16.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 0.752 . . . . 10.0 109.314 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.572 ' CG ' ' CD2' ' A' ' 38' ' ' LEU . 87.3 m-70 -154.92 148.87 25.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 10.0 109.62 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -48.12 176.91 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.468 1.105 . . . . 10.0 111.028 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.474 ' CD2' ' HB3' ' A' ' 84' ' ' LEU . 2.2 t80 -104.7 155.02 19.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 0.79 . . . . 10.0 111.03 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.42 ' O ' ' HB ' ' A' ' 47' ' ' VAL . 0.4 OUTLIER -60.94 177.18 0.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.429 1.081 . . . . 10.0 109.612 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.42 ' HB ' ' O ' ' A' ' 46' ' ' HIS . 11.7 t 75.35 111.88 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 10.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.56 ' CD2' ' HG3' ' A' ' 143' ' ' ARG . 44.8 p-80 -147.67 59.76 1.14 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 10.0 109.556 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -167.48 176.59 6.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 10.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -70.98 -87.75 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 10.0 110.261 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -121.27 -164.85 1.16 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 10.0 110.345 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.401 ' O ' ' OD1' ' A' ' 53' ' ' ASN . 4.9 m-20 -136.23 116.79 13.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 10.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.401 ' OD1' ' O ' ' A' ' 52' ' ' ASP . 14.3 m-20 176.27 62.7 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 10.0 109.341 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 10.0 t -150.42 -45.22 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 10.0 110.381 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 170.9 -95.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 10.0 109.258 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -143.35 -90.61 0.13 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.508 1.13 . . . . 10.0 110.943 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 2.0 t -117.61 111.21 18.89 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.336 -0.987 . . . . 10.0 108.336 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.8 p -140.94 107.18 5.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 10.0 110.444 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 89.4 p -43.71 101.43 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.104 . . . . 10.0 109.947 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -123.78 -75.28 0.6 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 10.0 109.238 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 172.0 99.78 0.13 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.5 1.125 . . . . 10.0 111.022 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 119.64 5.72 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.527 1.804 . . . . 10.0 110.987 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 35.0 m80 -137.52 29.97 2.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 10.0 109.619 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.403 ' CE2' ' HA3' ' A' ' 82' ' ' GLY . 0.1 OUTLIER 43.7 -167.77 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 10.0 111.019 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -124.01 153.05 67.65 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.513 1.133 . . . . 10.0 109.335 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -30.15 7.47 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.477 1.778 . . . . 10.0 110.97 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.48 ' HB3' ' CG2' ' A' ' 81' ' ' VAL . 0.2 OUTLIER -43.28 -52.04 5.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 10.0 109.296 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.44 ' O ' ' HB2' ' A' ' 69' ' ' ARG . 89.4 p -69.61 -32.04 70.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 10.0 110.012 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.44 ' HB2' ' O ' ' A' ' 68' ' ' SER . 0.3 OUTLIER 67.91 -64.47 0.28 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 10.0 110.313 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.494 ' CB ' ' O ' ' A' ' 135' ' ' THR . 0.0 OUTLIER -163.38 166.06 23.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 10.0 109.322 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -64.22 151.06 44.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 10.0 109.619 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 175.65 -120.85 0.78 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.47 1.106 . . . . 10.0 110.979 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 114.11 -76.73 0.25 Allowed Glycine 0 CA--C 1.531 1.051 0 N-CA-C 110.952 -0.859 . . . . 10.0 110.952 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -21.7 15.53 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.546 1.814 . . . . 10.0 111.006 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -128.9 40.03 3.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 10.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 164.82 124.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.55 1.156 . . . . 10.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.448 ' O ' ' CG ' ' A' ' 77' ' ' GLU . 9.5 tt0 -94.65 -7.1 41.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 10.0 110.322 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.9 -60.93 2.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 10.0 110.3 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.11 143.37 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 10.0 110.298 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 170.68 -34.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 10.0 109.603 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.48 ' CG2' ' HB3' ' A' ' 67' ' ' LEU . 49.0 t -109.03 81.37 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 10.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.403 ' HA3' ' CE2' ' A' ' 64' ' ' PHE . . . 119.8 -46.73 1.09 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.499 1.124 . . . . 10.0 110.986 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -99.77 140.79 33.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 0.752 . . . . 10.0 109.283 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.474 ' HB3' ' CD2' ' A' ' 45' ' ' PHE . 4.8 tt -154.32 -73.45 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 10.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -165.55 -176.68 37.24 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.502 1.126 . . . . 10.0 111.028 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 12.6 m-20 -97.45 144.17 27.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 0.764 . . . . 10.0 109.28 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 17.1 m -92.52 -166.51 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 10.0 109.248 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.414 ' HA ' ' O ' ' A' ' 41' ' ' GLY . 87.2 m -153.83 136.44 15.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 10.0 110.39 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -92.12 175.86 6.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 10.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.45 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 11.4 t0 -80.59 -97.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 10.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.45 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 7.7 pttt -137.14 10.87 3.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 10.0 109.342 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -158.0 25.26 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 10.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.452 ' O ' ' C ' ' A' ' 94' ' ' VAL . . . 95.55 -38.88 2.98 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.503 1.127 . . . . 10.0 111.029 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.452 ' C ' ' O ' ' A' ' 93' ' ' GLY . 21.3 t -36.76 99.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.489 0.758 . . . . 10.0 109.335 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 93' ' ' GLY . . . -103.06 119.24 38.5 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.478 1.111 . . . . 10.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -107.17 148.51 28.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.56 1.163 . . . . 10.0 109.301 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 29.7 t -121.38 159.6 23.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 10.0 109.331 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 95.9 p -170.54 83.75 0.1 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 10.0 109.97 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 5.1 mt -126.24 157.26 36.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 10.0 109.278 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.464 ' CG ' ' HG2' ' A' ' 30' ' ' LYS . 8.4 mt-10 -130.74 103.11 6.41 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.536 1.147 . . . . 10.0 110.286 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -98.56 116.58 31.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 10.0 109.305 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.408 ' CA ' ' HB3' ' A' ' 28' ' ' PRO . 77.6 p -105.83 74.2 1.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 10.0 109.995 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -163.29 -47.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 10.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -87.01 172.67 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 10.0 109.334 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.2 t -152.3 171.59 17.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 10.0 110.006 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.543 ' CD2' ' N ' ' A' ' 106' ' ' LEU . 0.2 OUTLIER -74.53 -42.19 59.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 10.0 109.308 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.14 158.29 44.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 10.0 109.996 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 131.17 -81.9 0.32 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.509 1.131 . . . . 10.0 111.003 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -142.41 -47.32 0.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 0.785 . . . . 10.0 109.315 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 16.3 m80 -100.02 66.93 1.38 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 10.0 109.604 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 81.2 p -65.81 135.45 54.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.565 1.166 . . . . 10.0 110.007 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -85.08 -33.32 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.424 1.078 . . . . 10.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.486 ' CD1' HG12 ' A' ' 151' ' ' ILE . 7.7 mt -47.09 134.92 3.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.565 1.166 . . . . 10.0 109.336 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 122.64 -14.62 8.6 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.483 1.114 . . . . 10.0 111.027 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.77 173.78 7.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.439 0.729 . . . . 10.0 110.334 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.491 HG22 ' CG2' ' A' ' 118' ' ' VAL . 13.9 t -158.08 132.55 8.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 10.0 110.372 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.88 62.53 0.44 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 10.0 109.258 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.491 ' CG2' HG22 ' A' ' 116' ' ' THR . 2.9 t -73.53 152.84 7.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 10.0 109.292 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -125.79 -171.78 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 10.0 109.318 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.596 ' HD1' ' N ' ' A' ' 142' ' ' SER . 31.6 m-70 -140.85 148.04 39.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 10.0 109.622 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.539 ' O ' ' CB ' ' A' ' 122' ' ' LYS . 6.7 tt0 -84.55 46.66 1.26 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 10.0 110.267 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.539 ' CB ' ' O ' ' A' ' 121' ' ' GLU . 0.0 OUTLIER 161.24 168.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 10.0 109.296 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.4 ' CB ' ' HB2' ' A' ' 42' ' ' LEU . . . -99.46 163.37 12.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 10.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -79.65 -11.83 59.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 10.0 109.325 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 4.1 t70 65.47 28.07 11.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 10.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 6.3 mt 54.58 20.07 2.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 10.0 109.29 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 111.86 102.27 2.62 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.513 1.133 . . . . 10.0 110.995 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.59 -75.33 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 0.734 . . . . 10.0 109.275 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 148.38 -18.22 1.32 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.49 1.119 . . . . 10.0 110.991 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -59.37 -162.46 0.08 OUTLIER Glycine 0 CA--C 1.529 0.937 0 N-CA-C 111.034 -0.826 . . . . 10.0 111.034 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . 0.493 ' O ' ' CB ' ' A' ' 132' ' ' GLU . 8.4 p30 -144.83 129.68 18.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 0.724 . . . . 10.0 109.279 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . 0.493 ' CB ' ' O ' ' A' ' 131' ' ' ASN . 0.9 OUTLIER 85.43 -11.13 0.74 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.16 . . . . 10.0 110.323 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -111.05 -65.44 1.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 10.0 110.293 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 76.6 p -74.38 -24.56 59.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.469 1.106 . . . . 10.0 110.019 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' THR . . . . . 0.494 ' O ' ' CB ' ' A' ' 70' ' ' LYS . 8.5 p -71.05 -10.16 59.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 10.0 110.41 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.7 -55.32 2.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 10.0 109.28 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 60.0 p -118.4 -87.81 0.62 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 10.0 110.385 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 177.14 37.7 0.06 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.456 1.097 . . . . 10.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 41.15 46.05 2.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 0.74 . . . . 10.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.461 ' CB ' ' HB3' ' A' ' 122' ' ' LYS . . . -172.77 -40.11 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 10.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 140' ' ' ALA . . . -35.66 96.14 0.01 OUTLIER Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.536 1.148 . . . . 10.0 110.981 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' SER . . . . . 0.596 ' N ' ' HD1' ' A' ' 120' ' ' HIS . 11.7 t -107.53 98.74 8.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 0.766 . . . . 10.0 109.997 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . 0.56 ' HG3' ' CD2' ' A' ' 48' ' ' HIS . 1.0 OUTLIER -42.95 151.54 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 10.0 110.31 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -140.59 -128.84 0.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.123 . . . . 10.0 109.31 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -65.69 174.93 2.07 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.1 . . . . 10.0 109.253 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 8.6 p -140.72 71.46 1.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 10.0 108.261 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . 0.419 ' C ' ' OG1' ' A' ' 116' ' ' THR . . . -68.29 66.7 0.38 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.57 1.169 . . . . 10.0 111.047 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . 0.485 ' CG2' ' HB ' ' A' ' 116' ' ' THR . 1.2 t -60.97 133.1 26.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.526 0.78 . . . . 10.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' ILE . . . . . 0.466 ' CG2' ' HB2' ' A' ' 4' ' ' ALA . 3.0 mp -77.14 127.78 38.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 10.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -134.91 148.1 19.42 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.559 1.162 . . . . 10.0 110.989 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . 0.486 HG12 ' CD1' ' A' ' 113' ' ' ILE . 21.4 mm -43.77 143.81 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.536 0.786 . . . . 10.0 109.334 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -124.51 172.09 9.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 10.0 109.273 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 10.0 110.332 179.95 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 22' ' ' GLN . . . . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.326 -0.62 . . . . 10.0 109.326 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.479 ' CG2' ' CD1' ' A' ' 151' ' ' ILE . 35.6 m -83.47 70.81 10.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 10.0 110.385 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.13 97.53 9.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.568 1.168 . . . . 10.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.466 ' CB ' HG21 ' A' ' 149' ' ' ILE . . . -84.86 153.81 22.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 10.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.448 HG22 ' CB ' ' A' ' 152' ' ' ALA . 10.5 t -126.05 150.93 31.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 10.0 109.266 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -156.27 88.69 1.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 10.0 109.317 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.5 p -81.81 99.78 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 10.0 109.314 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.501 ' HB2' ' N ' ' A' ' 16' ' ' GLY . 0.7 OUTLIER -46.66 138.83 5.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.148 . . . . 10.0 109.29 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 19.6 tttt -169.71 112.76 0.49 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 10.0 109.329 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 11' ' ' ASP . . . -156.6 -102.61 0.19 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.491 1.119 . . . . 10.0 110.986 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.471 ' HB2' ' CD2' ' A' ' 144' ' ' LEU . 38.4 t0 -40.27 -66.46 0.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 0.753 . . . . 10.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 160.37 -62.39 0.29 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.496 1.123 . . . . 10.0 110.967 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 54.65 3.71 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.514 1.797 . . . . 10.0 111.012 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.49 ' O ' ' CG1' ' A' ' 14' ' ' VAL . 3.4 p -173.41 109.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 10.0 109.307 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -132.12 48.11 2.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 10.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.501 ' N ' ' HB2' ' A' ' 8' ' ' LEU . . . -51.37 168.84 0.46 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.481 1.113 . . . . 10.0 110.985 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.422 HG13 ' C ' ' A' ' 16' ' ' GLY . 64.6 mt -142.13 98.85 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 0.765 . . . . 10.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.49 ' CG2' HD22 ' A' ' 8' ' ' LEU . 0.1 OUTLIER -109.24 133.73 53.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 10.0 109.289 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.445 ' N ' HD13 ' A' ' 18' ' ' ILE . 0.1 OUTLIER -131.06 144.32 51.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 10.0 109.302 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.664 ' CE2' ' CG1' ' A' ' 31' ' ' VAL . 25.0 m-85 -114.31 107.88 16.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 10.0 110.988 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 30' ' ' LYS . 5.0 tt0 -100.0 150.93 21.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 10.0 110.29 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' A' ' 1' ' ' ALA . 10.8 tt0 -150.96 83.41 1.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 10.0 110.336 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.3 mttt -75.74 57.99 1.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 10.0 109.283 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.515 ' O ' ' CB ' ' A' ' 25' ' ' SER . 3.8 mp0 -155.62 -47.13 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 10.0 110.305 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.515 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 1.4 t 86.47 -14.87 0.48 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 10.0 109.981 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -157.51 25.29 0.29 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 10.0 109.336 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -125.1 -144.25 6.26 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.486 1.116 . . . . 10.0 110.971 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 152.84 41.24 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.541 1.811 . . . . 10.0 110.993 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 49.0 t -115.18 109.9 30.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 10.0 109.303 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 21' ' ' GLU . 40.5 mttt -74.32 97.59 3.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 10.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.664 ' CG1' ' CE2' ' A' ' 20' ' ' PHE . 23.8 t -95.57 130.27 44.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 10.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 7.0 p90 -158.2 150.54 22.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 10.0 107.985 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -159.86 -176.41 31.91 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.474 1.109 . . . . 10.0 111.011 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 7.5 p -156.28 118.99 4.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 0.77 . . . . 10.0 109.981 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.547 ' O ' ' HA ' ' A' ' 94' ' ' VAL . 0.2 OUTLIER -87.18 166.36 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 10.0 109.301 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.459 ' N ' ' CG2' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -161.95 112.21 1.58 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 10.0 109.314 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.409 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 134.97 -36.36 2.07 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.511 1.132 . . . . 10.0 110.97 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.518 HD22 ' CD2' ' A' ' 43' ' ' HIS . 0.2 OUTLIER -54.31 -169.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 0.76 . . . . 10.0 109.311 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.434 ' O ' ' NE2' ' A' ' 43' ' ' HIS . 3.3 p -121.44 132.42 54.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 10.0 110.434 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.436 ' HA ' ' CB ' ' A' ' 89' ' ' ALA . 0.4 OUTLIER -46.67 132.09 11.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 10.0 110.329 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 136.02 -146.02 18.0 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.521 1.138 . . . . 10.0 111.016 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.434 HD12 ' N ' ' A' ' 42' ' ' LEU . 0.2 OUTLIER -96.24 151.35 19.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 0.805 . . . . 10.0 109.275 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.557 ' HB3' ' CZ ' ' A' ' 45' ' ' PHE . 66.5 m-70 -155.27 166.93 32.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 10.0 109.613 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.599 ' C ' ' CD1' ' A' ' 45' ' ' PHE . . . -119.09 144.94 18.05 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.473 1.108 . . . . 10.0 110.981 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.599 ' CD1' ' C ' ' A' ' 44' ' ' GLY . 4.4 m-85 -155.88 136.66 13.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 0.772 . . . . 10.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.423 ' NE2' ' HD3' ' A' ' 79' ' ' ARG . 23.6 p80 -178.21 176.25 1.12 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 10.0 109.581 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.479 ' CG1' ' N ' ' A' ' 48' ' ' HIS . 44.6 t -57.12 165.19 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.452 1.095 . . . . 10.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.571 ' CD2' ' HG3' ' A' ' 143' ' ' ARG . 0.0 OUTLIER -167.16 157.28 11.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 10.0 109.596 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.469 ' O ' ' CB ' ' A' ' 50' ' ' GLU . 0.2 OUTLIER -152.91 161.37 42.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 10.0 110.302 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.502 ' O ' ' CB ' ' A' ' 51' ' ' GLU . 3.7 tt0 83.65 -179.79 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 10.0 110.299 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.502 ' CB ' ' O ' ' A' ' 50' ' ' GLU . 5.0 tp10 86.04 -54.43 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 10.0 110.261 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 51' ' ' GLU . 2.0 m-20 40.08 84.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 10.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.0 m-20 175.03 72.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 10.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.426 ' O ' ' CB ' ' A' ' 55' ' ' ALA . 0.1 OUTLIER -152.4 -48.47 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 10.0 110.432 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.426 ' CB ' ' O ' ' A' ' 54' ' ' THR . . . 167.2 -87.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 10.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -113.42 60.73 0.35 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.48 1.112 . . . . 10.0 111.026 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -146.02 110.98 5.25 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.27 -1.011 . . . . 10.0 108.27 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 56.0 p -91.68 -145.27 0.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 10.0 110.43 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.1 t -131.7 -65.55 0.75 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 10.0 109.97 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . 69.71 -61.52 0.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 10.0 109.331 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -152.0 109.51 0.42 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.485 1.116 . . . . 10.0 110.999 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 57.98 4.74 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.498 1.788 . . . . 10.0 111.009 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.406 ' O ' ' CG ' ' A' ' 63' ' ' HIS . 51.2 p-80 -122.45 77.56 1.43 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.452 1.095 . . . . 10.0 109.586 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -41.4 -88.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 10.0 111.02 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -155.06 91.17 2.93 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 10.0 109.274 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 84.8 1.6 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.465 1.771 . . . . 10.0 111.002 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.44 ' HB3' ' CG2' ' A' ' 81' ' ' VAL . 2.7 tm? -155.76 -50.14 0.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.572 1.17 . . . . 10.0 109.252 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 17.4 t -153.14 22.67 0.56 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 10.0 110.014 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -72.45 59.78 0.44 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 10.0 110.304 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.468 ' O ' ' C ' ' A' ' 71' ' ' HIS . 0.4 OUTLIER -179.35 162.21 1.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 10.0 109.317 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.615 ' CG ' ' O ' ' A' ' 71' ' ' HIS . 0.7 OUTLIER -33.91 103.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 10.0 109.598 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.446 ' CA ' ' HA ' ' A' ' 76' ' ' ASP . . . 168.94 164.83 25.32 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.444 1.09 . . . . 10.0 111.013 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 111.46 -139.96 15.85 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 111.021 -0.831 . . . . 10.0 111.021 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.473 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 18.1 Cg_endo -75.07 75.89 3.59 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.445 1.761 . . . . 10.0 110.977 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.519 ' O ' ' CG ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER 85.89 24.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 10.0 109.308 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.446 ' HA ' ' CA ' ' A' ' 72' ' ' GLY . 0.0 OUTLIER 69.89 85.52 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 10.0 109.297 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -116.35 -14.26 11.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 10.0 110.295 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 61.15 145.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 10.0 110.286 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.423 ' HD3' ' NE2' ' A' ' 46' ' ' HIS . 71.8 mtt180 64.21 76.53 0.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.153 . . . . 10.0 110.341 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 -101.45 -4.61 26.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 10.0 109.588 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.44 ' CG2' ' HB3' ' A' ' 67' ' ' LEU . 2.8 t -101.02 -80.77 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 10.0 109.35 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.414 ' N ' ' CG1' ' A' ' 81' ' ' VAL . . . -49.52 -48.44 34.93 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.444 1.09 . . . . 10.0 111.002 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.4 ' HB2' ' CD2' ' A' ' 46' ' ' HIS . 6.2 t70 -90.42 124.84 35.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 0.753 . . . . 10.0 109.266 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.5 tt -89.12 -26.1 21.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 10.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 158.82 -169.61 35.18 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.488 1.118 . . . . 10.0 110.998 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.414 ' N ' ' OD1' ' A' ' 86' ' ' ASN . 1.0 OUTLIER -94.49 156.57 16.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 0.751 . . . . 10.0 109.318 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.566 HG21 ' CE1' ' A' ' 45' ' ' PHE . 30.6 m -118.94 -175.11 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 10.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.7 m -135.93 129.11 31.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 10.0 110.351 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.436 ' CB ' ' HA ' ' A' ' 40' ' ' GLU . . . -84.5 173.89 10.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 10.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.447 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 10.1 t70 -83.19 -100.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 10.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.447 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 17.7 mtmt -135.48 6.82 3.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 10.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -142.67 15.6 1.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 10.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.475 ' HA3' ' C ' ' A' ' 38' ' ' LEU . . . 93.13 -30.05 7.53 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.514 1.134 . . . . 10.0 111.003 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.547 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 89.7 t -42.92 107.86 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 0.769 . . . . 10.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -114.87 124.13 50.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 10.0 109.251 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.93 150.65 28.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 10.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 60.8 t -130.6 159.92 42.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 10.0 109.319 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.5 t -164.52 98.44 0.79 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 10.0 110.002 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.422 HG23 ' N ' ' A' ' 100' ' ' GLU . 8.1 mt -130.31 145.93 34.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 10.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.422 ' N ' HG23 ' A' ' 99' ' ' ILE . 52.8 tt0 -131.09 95.91 3.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 10.0 110.291 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.31 162.2 15.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 10.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 78.7 p -131.6 10.98 4.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 10.0 110.008 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 47.6 t -84.48 -36.27 11.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 10.0 109.264 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.4 ' CG1' HG21 ' A' ' 112' ' ' ILE . 0.1 OUTLIER -89.16 177.3 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 10.0 109.277 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.406 ' O ' ' O ' ' A' ' 110' ' ' HIS . 3.8 t -167.37 139.51 3.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 10.0 109.983 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.45 ' HG ' ' CD1' ' A' ' 112' ' ' ILE . 2.4 mp -71.63 -27.11 62.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.431 1.082 . . . . 10.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -135.49 133.96 39.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.568 1.167 . . . . 10.0 109.932 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 141.12 -85.06 0.21 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.462 1.101 . . . . 10.0 110.956 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -145.93 -46.81 0.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 0.752 . . . . 10.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . 0.406 ' O ' ' O ' ' A' ' 105' ' ' SER . 7.3 m-70 -85.19 53.43 2.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 10.0 109.605 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.41 115.83 2.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 10.0 109.986 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.45 ' CD1' ' HG ' ' A' ' 106' ' ' LEU . 19.4 pt -85.24 -25.39 6.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 10.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 2.4 mt -60.68 127.96 21.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 10.0 109.316 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 116.86 4.28 17.0 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.515 1.134 . . . . 10.0 110.969 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.405 ' CA ' HG22 ' A' ' 47' ' ' VAL . 24.2 mtt180 -84.58 116.56 23.22 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 0.775 . . . . 10.0 110.275 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.474 ' O ' ' N ' ' A' ' 118' ' ' VAL . 7.5 m -91.71 73.27 5.83 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.128 . . . . 10.0 110.376 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.515 ' O ' ' CD1' ' A' ' 117' ' ' LEU . 3.2 tm? -63.26 77.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 10.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.521 ' CG1' ' O ' ' A' ' 145' ' ' ALA . 13.3 m -80.26 172.38 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 10.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 3.1 m -117.42 139.71 43.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 10.0 109.299 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 74.5 m-70 -105.09 145.22 30.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 10.0 109.619 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -39.09 -52.0 1.87 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 10.0 110.32 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 64.0 mttt -126.67 -167.83 1.78 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 10.0 109.263 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -93.36 179.98 5.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.567 1.167 . . . . 10.0 109.326 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 -70.65 -7.82 47.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 10.0 109.331 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 62.39 25.43 15.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 10.0 109.3 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 16.5 mt 56.9 18.38 3.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 10.0 109.289 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 130' ' ' GLY . . . 89.43 -16.54 55.9 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.484 1.115 . . . . 10.0 111.009 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 3.7 tttt 48.1 31.39 2.48 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 0.757 . . . . 10.0 109.267 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 130' ' ' GLY . . . 73.34 30.93 61.84 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.496 1.122 . . . . 10.0 111.04 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 127' ' ' GLY . . . 58.52 118.73 0.01 OUTLIER Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.019 -0.832 . . . . 10.0 111.019 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . 0.495 ' O ' ' N ' ' A' ' 135' ' ' THR . 5.3 t-20 -141.87 155.12 45.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 0.794 . . . . 10.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 131' ' ' ASN . 39.7 mt-10 -36.91 -30.66 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 10.0 110.307 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . 0.48 ' N ' ' O ' ' A' ' 131' ' ' ASN . 0.5 OUTLIER -86.65 -50.0 7.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 10.0 110.262 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 131' ' ' ASN . 0.3 OUTLIER -67.66 -53.84 24.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 10.0 110.021 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' THR . . . . . 0.495 ' N ' ' O ' ' A' ' 131' ' ' ASN . 52.9 p -46.47 -23.44 0.38 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 10.0 110.371 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 5.9 tttt -101.11 -36.17 9.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 10.0 109.296 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' THR . . . . . 0.438 ' OG1' ' N ' ' A' ' 138' ' ' GLY . 81.8 p -134.76 -96.99 0.26 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 10.0 110.399 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . 0.438 ' N ' ' OG1' ' A' ' 137' ' ' THR . . . 178.95 36.4 0.06 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.504 1.128 . . . . 10.0 110.97 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 41.17 30.84 0.12 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.544 0.791 . . . . 10.0 109.274 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.415 ' N ' ' C ' ' A' ' 138' ' ' GLY . . . -89.24 -60.74 1.87 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 10.0 109.279 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 152.0 -86.81 0.14 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.499 1.124 . . . . 10.0 111.039 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 3.5 t -176.53 146.57 0.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 0.77 . . . . 10.0 110.023 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . 0.571 ' HG3' ' CD2' ' A' ' 48' ' ' HIS . 0.0 OUTLIER -55.46 166.87 0.56 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 10.0 110.298 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.471 ' CD2' ' HB2' ' A' ' 11' ' ' ASP . 52.9 mt -146.89 -108.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 10.0 109.341 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . 0.521 ' O ' ' CG1' ' A' ' 118' ' ' VAL . . . -43.23 163.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 10.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -136.79 70.21 1.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 10.0 108.305 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -73.68 62.73 1.94 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.502 1.126 . . . . 10.0 111.017 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 4.0 t -65.06 133.5 30.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.505 0.768 . . . . 10.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' ILE . . . . . 0.541 ' CG1' ' CE1' ' A' ' 20' ' ' PHE . 1.3 mp -63.78 122.42 14.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 10.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -134.8 116.26 1.55 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.476 1.11 . . . . 10.0 110.989 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . 0.479 ' CD1' ' CG2' ' A' ' 2' ' ' THR . 9.8 mm -47.54 151.47 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 0.767 . . . . 10.0 109.261 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . 0.448 ' CB ' HG22 ' A' ' 5' ' ' VAL . . . -143.66 156.01 44.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 10.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 10.0 110.296 -179.998 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.499 ' N ' ' O ' ' A' ' 22' ' ' GLN . . . . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.306 -0.627 . . . . 10.0 109.306 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.455 ' CG2' HD11 ' A' ' 151' ' ' ILE . 0.2 OUTLIER -83.75 97.39 9.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 10.0 110.405 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.1 ttpm? -83.02 102.45 11.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 10.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.473 ' HB2' ' CG2' ' A' ' 149' ' ' ILE . . . -86.57 154.86 20.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 10.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.44 ' CG2' ' CB ' ' A' ' 152' ' ' ALA . 0.7 OUTLIER -127.96 147.08 32.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 10.0 109.282 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.492 ' CB ' HD13 ' A' ' 149' ' ' ILE . . . -151.88 90.35 1.53 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 10.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.3 p -81.65 104.84 10.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 10.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.503 ' N ' HD22 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -45.99 122.93 4.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 10.0 109.289 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.44 -46.14 70.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.562 1.164 . . . . 10.0 109.321 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.408 ' HA3' ' O ' ' A' ' 14' ' ' VAL . . . 73.16 120.03 0.07 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.496 1.123 . . . . 10.0 111.03 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -51.57 -21.99 2.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 0.729 . . . . 10.0 109.256 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 179.12 -60.39 0.08 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.485 1.115 . . . . 10.0 111.022 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -59.25 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.445 1.761 . . . . 10.0 111.044 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.408 ' O ' ' HA3' ' A' ' 10' ' ' GLY . 7.4 t -45.46 150.0 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 10.0 109.29 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 175.59 54.02 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.13 . . . . 10.0 110.235 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.452 ' HA3' ' O ' ' A' ' 34' ' ' SER . . . -96.12 -169.69 34.91 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.521 1.138 . . . . 10.0 110.965 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 52.2 mt -141.08 122.1 13.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.529 0.782 . . . . 10.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.557 HD11 ' CD1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -126.92 126.22 68.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 10.0 109.295 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -113.75 159.44 19.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 10.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.676 ' CE1' ' CG1' ' A' ' 31' ' ' VAL . 1.5 m-85 -129.23 101.09 5.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 10.0 110.972 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 30' ' ' LYS . 12.0 tt0 -101.0 153.81 19.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 10.0 110.299 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.499 ' O ' ' N ' ' A' ' 1' ' ' ALA . 2.0 tt0 -148.08 62.54 1.11 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.518 1.136 . . . . 10.0 110.259 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.6 mtpt -71.49 64.56 0.43 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.125 . . . . 10.0 109.302 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -152.44 166.25 32.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 10.0 110.276 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 49.5 m -69.84 57.56 0.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 10.0 109.97 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 33.7 m-20 61.15 32.39 19.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 10.0 109.332 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -97.1 -114.14 3.14 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.512 1.133 . . . . 10.0 111.05 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 163.55 35.03 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.52 1.8 . . . . 10.0 110.996 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.5 t -125.49 129.77 72.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 10.0 109.33 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 21' ' ' GLU . 8.6 mttt -87.96 90.86 8.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 10.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.676 ' CG1' ' CE1' ' A' ' 20' ' ' PHE . 74.0 t -85.02 135.09 25.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 10.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -160.3 156.28 26.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 10.0 107.998 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.422 ' CA ' ' HA ' ' A' ' 18' ' ' ILE . . . -177.1 -171.97 41.2 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.455 1.097 . . . . 10.0 111.022 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.452 ' O ' ' HA3' ' A' ' 16' ' ' GLY . 0.6 OUTLIER -156.98 116.34 3.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 0.754 . . . . 10.0 109.998 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.439 ' O ' ' HA ' ' A' ' 94' ' ' VAL . 0.3 OUTLIER -83.55 161.72 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 10.0 109.307 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.408 ' N ' HG21 ' A' ' 35' ' ' ILE . 13.0 mttt -151.56 92.97 1.82 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 10.0 109.31 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 150.77 -30.97 1.01 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.49 1.119 . . . . 10.0 111.012 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.425 ' O ' ' O ' ' A' ' 37' ' ' GLY . 8.6 mt -54.72 -167.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 0.749 . . . . 10.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.416 ' O ' ' C ' ' A' ' 40' ' ' GLU . 2.8 p -140.64 126.31 19.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 10.0 110.408 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 39' ' ' THR . 0.9 OUTLIER -37.77 103.36 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 10.0 110.27 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 157.3 170.88 22.69 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.513 1.133 . . . . 10.0 110.996 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.23 160.83 3.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 0.765 . . . . 10.0 109.239 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 76.4 m-70 -149.74 167.58 26.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 10.0 109.649 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.21 178.89 43.52 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.529 1.143 . . . . 10.0 111.021 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.526 ' CZ ' ' NH1' ' A' ' 79' ' ' ARG . 39.2 m-85 -55.2 175.75 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 0.78 . . . . 10.0 110.992 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.707 ' CE1' ' CD1' ' A' ' 117' ' ' LEU . 0.6 OUTLIER -145.18 60.16 1.3 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 10.0 109.552 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 83.0 t -147.59 152.0 13.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 10.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.43 ' O ' ' CB ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -177.38 157.36 1.3 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 10.0 109.596 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.43 ' CB ' ' O ' ' A' ' 48' ' ' HIS . 2.3 tp10 81.02 136.77 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.575 1.172 . . . . 10.0 110.318 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -52.63 -83.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 10.0 110.286 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -118.71 -166.12 1.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 10.0 110.316 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -54.26 107.38 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 10.0 109.284 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 176.37 69.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 10.0 109.32 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -151.86 -50.05 0.11 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 10.0 110.364 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 73.54 -58.01 0.61 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 10.0 109.303 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -174.48 54.01 0.14 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.518 1.136 . . . . 10.0 110.982 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 1.426 ' SG ' ' SG ' ' A' ' 146' ' ' CYS . 55.7 m 65.66 134.03 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.307 -0.997 . . . . 10.0 108.307 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 33.7 p -121.23 -144.69 0.35 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.47 1.106 . . . . 10.0 110.377 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -152.41 89.04 1.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 10.0 110.01 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -144.44 -67.57 0.33 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 10.0 109.249 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 162.38 78.65 0.03 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.494 1.122 . . . . 10.0 110.952 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 130.57 13.42 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.499 1.789 . . . . 10.0 111.023 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -137.12 43.69 2.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 10.0 109.594 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 52.02 -172.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 10.0 110.96 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.455 ' HB2' ' CG1' ' A' ' 81' ' ' VAL . 3.7 m-80 -85.0 131.52 48.55 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 10.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 73.75 4.22 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.458 1.767 . . . . 10.0 111.034 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.401 ' HB3' ' CG2' ' A' ' 81' ' ' VAL . 0.2 OUTLIER -162.14 -44.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 10.0 109.328 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.484 ' O ' ' HB2' ' A' ' 69' ' ' ARG . 0.9 OUTLIER -63.83 -48.49 76.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 10.0 110.001 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.558 ' O ' ' CB ' ' A' ' 70' ' ' LYS . 0.9 OUTLIER 69.15 -59.47 0.48 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 10.0 110.328 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.558 ' CB ' ' O ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER 92.44 -66.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 10.0 109.305 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.461 ' O ' ' CG ' ' A' ' 71' ' ' HIS . 0.1 OUTLIER -38.66 97.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 10.0 109.617 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 70' ' ' LYS . . . 133.78 -131.14 5.9 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.513 1.133 . . . . 10.0 110.975 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -92.31 137.24 13.62 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.99 -0.844 . . . . 10.0 110.99 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.45 ' HA ' ' CB ' ' A' ' 79' ' ' ARG . 18.4 Cg_endo -74.97 0.9 8.33 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.503 1.791 . . . . 10.0 111.008 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 12.8 pttt 176.98 41.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 10.0 109.282 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -139.89 -69.15 0.41 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 10.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.93 4.95 51.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 10.0 110.343 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 168.55 -161.46 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 10.0 110.278 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.526 ' NH1' ' CZ ' ' A' ' 45' ' ' PHE . 0.3 OUTLIER 63.27 81.23 0.21 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.433 1.083 . . . . 10.0 110.316 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -142.51 29.43 1.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 10.0 109.621 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.497 ' CG1' ' N ' ' A' ' 82' ' ' GLY . 4.7 t -130.85 -89.03 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 10.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.497 ' N ' ' CG1' ' A' ' 81' ' ' VAL . . . -74.11 -28.73 63.76 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.497 1.123 . . . . 10.0 111.02 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.413 ' CG ' ' O ' ' A' ' 74' ' ' PRO . 0.9 OUTLIER -50.84 143.73 9.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 0.748 . . . . 10.0 109.316 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -162.03 -60.3 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 10.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 168.06 -136.44 4.1 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.465 1.103 . . . . 10.0 110.963 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 16.2 m-20 -138.66 136.79 36.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 0.753 . . . . 10.0 109.353 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 4.4 m -104.36 153.44 6.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 10.0 109.316 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.5 m -131.22 149.98 52.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 10.0 110.398 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.406 ' HB2' ' CA ' ' A' ' 93' ' ' GLY . . . -85.57 166.67 16.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 10.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.45 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 7.6 t0 -68.44 -95.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.094 . . . . 10.0 109.258 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.509 ' CG ' ' O ' ' A' ' 91' ' ' LYS . 28.6 tttt -141.13 14.07 2.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 10.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -158.95 25.68 0.21 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 10.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.406 ' CA ' ' HB2' ' A' ' 89' ' ' ALA . . . 94.19 -38.59 3.1 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.504 1.128 . . . . 10.0 111.023 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.439 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 47.7 t -46.12 103.52 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.521 0.777 . . . . 10.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -103.95 114.66 29.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 10.0 109.328 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -108.08 150.89 26.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 10.0 109.284 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.483 HG11 ' CD1' ' A' ' 99' ' ' ILE . 42.1 t -123.78 159.72 28.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 10.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 11.8 p -178.77 79.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 10.0 110.0 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.483 ' CD1' HG11 ' A' ' 97' ' ' VAL . 3.0 mp -137.31 165.21 27.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 10.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -127.38 106.16 9.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 10.0 110.308 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -84.25 114.44 21.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 10.0 109.302 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 86.7 p -98.36 50.12 1.0 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 10.0 110.018 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 77.0 t -144.26 -46.14 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 10.0 109.32 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.55 HG23 ' CD2' ' A' ' 110' ' ' HIS . 1.0 OUTLIER -92.74 -179.11 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 10.0 109.292 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 97.2 p -178.71 -175.38 0.41 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 10.0 110.004 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -109.48 27.64 9.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 10.0 109.332 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.12 179.99 5.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 10.0 109.955 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -78.52 76.03 1.9 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.5 1.125 . . . . 10.0 110.993 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 176.79 -56.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 0.776 . . . . 10.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . 0.55 ' CD2' HG23 ' A' ' 104' ' ' ILE . 10.9 m80 -90.22 -55.75 3.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 10.0 109.617 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 58.4 p 41.66 88.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 10.0 109.992 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.433 ' O ' ' N ' ' A' ' 114' ' ' GLY . 29.4 pt -96.14 1.32 10.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 10.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 7.9 mm -67.38 72.05 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 10.0 109.277 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 112' ' ' ILE . . . 172.32 39.07 0.03 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.491 1.119 . . . . 10.0 110.969 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.467 ' O ' ' CD2' ' A' ' 117' ' ' LEU . 0.2 OUTLIER -86.06 104.67 15.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 0.766 . . . . 10.0 110.3 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.406 ' O ' ' O ' ' A' ' 46' ' ' HIS . 7.7 m -78.72 79.38 5.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 10.0 110.434 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.707 ' CD1' ' CE1' ' A' ' 46' ' ' HIS . 3.1 mm? -61.81 91.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.113 . . . . 10.0 109.271 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.55 ' O ' ' CG2' ' A' ' 118' ' ' VAL . 5.2 m -125.98 78.22 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 10.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 13.8 m -41.63 137.81 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.113 . . . . 10.0 109.284 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.582 ' CD2' ' O ' ' A' ' 140' ' ' ALA . 6.6 m-70 -85.12 177.92 7.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 10.0 109.582 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -119.11 62.04 0.8 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.09 . . . . 10.0 110.307 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.428 ' CB ' ' HA ' ' A' ' 140' ' ' ALA . 0.9 OUTLIER 173.31 168.99 0.16 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.121 . . . . 10.0 109.316 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.493 ' O ' ' CB ' ' A' ' 140' ' ' ALA . . . -74.16 -141.71 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 10.0 109.299 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -158.83 91.21 1.04 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 10.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.3 -21.49 59.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 10.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 10.0 mt 57.8 18.0 4.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.115 . . . . 10.0 109.277 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -142.44 -129.66 2.4 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.452 1.095 . . . . 10.0 111.021 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.551 ' CG ' ' O ' ' A' ' 128' ' ' LYS . 1.4 tttt -131.68 89.76 2.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 0.775 . . . . 10.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -85.82 16.47 41.54 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.496 1.122 . . . . 10.0 110.963 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 175.2 -148.18 9.39 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 111.004 -0.838 . . . . 10.0 111.004 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 65.3 m-80 -144.7 140.22 28.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 0.778 . . . . 10.0 109.282 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 50.22 21.79 0.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 10.0 110.337 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -132.22 -72.26 0.53 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 10.0 110.271 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 138' ' ' GLY . 0.7 OUTLIER -85.03 -20.93 29.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 10.0 109.973 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' THR . . . . . 0.451 ' O ' ' CB ' ' A' ' 71' ' ' HIS . 28.1 p -72.72 -3.4 24.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.102 . . . . 10.0 110.39 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 3.1 pttt -114.87 -40.89 3.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 10.0 109.314 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' THR . . . . . 0.446 ' CG2' ' N ' ' A' ' 138' ' ' GLY . 2.6 t -99.91 -48.37 4.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 10.0 110.386 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . 0.46 ' O ' ' CB ' ' A' ' 139' ' ' ASN . . . 118.83 16.46 5.4 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.486 1.117 . . . . 10.0 110.987 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . 0.46 ' CB ' ' O ' ' A' ' 138' ' ' GLY . 6.6 t-20 78.98 55.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 0.772 . . . . 10.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.582 ' O ' ' CD2' ' A' ' 120' ' ' HIS . . . 169.98 48.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 10.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -104.49 71.92 0.25 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.476 1.11 . . . . 10.0 111.025 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -142.0 81.8 1.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 0.751 . . . . 10.0 110.029 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . 0.43 ' NH1' ' HB2' ' A' ' 143' ' ' ARG . 3.5 mtp-105 -52.84 143.65 16.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 10.0 110.236 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 12.8 mt -130.04 -66.63 0.78 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 10.0 109.279 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . 0.425 ' O ' ' HB ' ' A' ' 118' ' ' VAL . . . -87.52 173.76 8.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 10.0 109.332 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' CYS . . . . . 1.426 ' SG ' ' SG ' ' A' ' 57' ' ' CYS . 56.2 m -156.53 68.72 0.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.143 . . . . 10.0 108.301 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -108.02 80.23 0.27 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.419 1.075 . . . . 10.0 110.992 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . 0.439 ' CG1' ' N ' ' A' ' 149' ' ' ILE . 2.8 t -70.11 159.76 5.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 0.766 . . . . 10.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' ILE . . . . . 0.492 HD13 ' CB ' ' A' ' 6' ' ' ALA . 26.3 mm -74.89 147.58 8.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 10.0 109.342 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 151' ' ' ILE . . . -157.03 100.85 0.2 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.481 1.113 . . . . 10.0 110.992 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . 0.455 HD11 ' CG2' ' A' ' 2' ' ' THR . 8.9 mm -37.62 143.1 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.435 0.726 . . . . 10.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . 0.44 ' CB ' ' CG2' ' A' ' 5' ' ' VAL . . . -135.9 173.48 11.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 10.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 10.0 110.266 179.998 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.488 ' CB ' ' HA ' ' A' ' 23' ' ' LYS . . . . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.341 -0.614 . . . . 10.0 109.341 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.9 m -126.44 81.22 1.99 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.094 . . . . 10.0 110.392 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.413 ' HG2' ' N ' ' A' ' 4' ' ' ALA . 6.7 ttmt -109.38 141.4 41.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 10.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.425 ' CB ' HG22 ' A' ' 149' ' ' ILE . . . -128.26 162.45 26.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 10.0 109.268 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.434 ' HA ' ' HA ' ' A' ' 19' ' ' ASN . 0.1 OUTLIER -147.13 149.73 15.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 10.0 109.28 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.48 ' CB ' ' O ' ' A' ' 147' ' ' GLY . . . -143.59 101.35 3.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 10.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.453 ' CG1' ' O ' ' A' ' 7' ' ' VAL . 8.6 p -83.44 90.0 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 10.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.504 ' HB2' ' N ' ' A' ' 16' ' ' GLY . 4.4 mm? -39.8 140.19 0.55 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 10.0 109.265 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.93 121.74 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 10.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -171.08 -83.28 0.05 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.484 1.115 . . . . 10.0 111.039 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -50.97 -56.64 11.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 0.762 . . . . 10.0 109.257 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 149.81 -56.6 0.47 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.575 1.172 . . . . 10.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -25.07 12.22 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.45 1.763 . . . . 10.0 111.049 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.7 t -81.8 104.12 9.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 10.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.451 ' OE1' ' CG2' ' A' ' 7' ' ' VAL . 0.0 OUTLIER -129.41 39.28 3.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 10.0 110.302 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.504 ' N ' ' HB2' ' A' ' 8' ' ' LEU . . . -51.5 167.28 0.68 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.557 1.16 . . . . 10.0 111.053 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.414 HG13 ' C ' ' A' ' 16' ' ' GLY . 63.6 mt -142.72 106.69 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.506 0.768 . . . . 10.0 109.359 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.501 ' CD1' ' N ' ' A' ' 19' ' ' ASN . 0.1 OUTLIER -114.18 135.54 53.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 10.0 109.324 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.501 ' N ' ' CD1' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -129.82 144.82 51.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.118 . . . . 10.0 109.316 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.637 ' CE1' ' CG1' ' A' ' 31' ' ' VAL . 2.9 m-30 -112.51 130.7 55.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 10.0 111.023 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -113.12 127.35 56.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 10.0 110.315 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.465 ' CD ' ' CG2' ' A' ' 29' ' ' VAL . 6.4 tp60 -155.07 61.0 0.65 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 10.0 110.285 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.488 ' HA ' ' CB ' ' A' ' 1' ' ' ALA . 12.6 mtmt -78.89 60.86 2.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.431 1.082 . . . . 10.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.476 ' O ' ' CB ' ' A' ' 25' ' ' SER . 0.2 OUTLIER -155.56 -44.63 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 10.0 110.313 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.476 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 2.0 t 83.99 -1.89 1.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 10.0 109.988 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -163.98 29.74 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 10.0 109.27 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.427 ' O ' ' NE2' ' A' ' 22' ' ' GLN . . . -125.27 -163.06 11.52 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.478 1.111 . . . . 10.0 111.005 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.411 ' C ' ' OE1' ' A' ' 22' ' ' GLN . 18.2 Cg_endo -75.02 132.9 15.92 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.509 1.794 . . . . 10.0 111.017 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.465 ' CG2' ' CD ' ' A' ' 22' ' ' GLN . 28.8 t -91.87 87.5 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.425 1.078 . . . . 10.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.596 ' O ' ' CE3' ' A' ' 32' ' ' TRP . 48.2 mttt -60.72 87.63 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 10.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.637 ' CG1' ' CE1' ' A' ' 20' ' ' PHE . 66.9 t -89.76 138.48 19.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 10.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.596 ' CE3' ' O ' ' A' ' 30' ' ' LYS . 14.1 p90 -167.89 142.34 3.57 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.974 -1.121 . . . . 10.0 107.974 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -151.78 -169.78 17.72 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.445 1.091 . . . . 10.0 111.001 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.4 m -157.51 122.13 4.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 0.761 . . . . 10.0 109.984 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.481 ' O ' ' CG ' ' A' ' 36' ' ' LYS . 0.1 OUTLIER -84.3 167.01 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 10.0 109.291 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.481 ' CG ' ' O ' ' A' ' 35' ' ' ILE . 22.8 mttt -156.21 114.64 3.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 10.0 109.263 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.452 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 129.03 -42.35 1.44 Allowed Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.488 1.118 . . . . 10.0 110.996 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.653 ' CD2' ' CG ' ' A' ' 43' ' ' HIS . 0.6 OUTLIER -53.33 -169.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 0.805 . . . . 10.0 109.293 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.5 p -141.71 147.6 37.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 10.0 110.429 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -42.93 104.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 10.0 110.289 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.614 ' O ' ' CE1' ' A' ' 43' ' ' HIS . . . 165.21 -178.1 40.35 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.5 1.125 . . . . 10.0 111.002 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.405 ' CD1' ' N ' ' A' ' 42' ' ' LEU . 4.5 mp -89.01 131.63 35.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 0.77 . . . . 10.0 109.33 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.653 ' CG ' ' CD2' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -107.66 150.5 26.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 10.0 109.599 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.477 ' HA3' ' CG ' ' A' ' 120' ' ' HIS . . . -42.07 162.5 0.03 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.511 1.132 . . . . 10.0 110.988 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.614 ' O ' ' CD2' ' A' ' 48' ' ' HIS . 5.5 m-85 -78.14 128.28 33.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 0.759 . . . . 10.0 110.996 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -64.5 175.33 1.41 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 10.0 109.583 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.465 ' O ' ' ND1' ' A' ' 48' ' ' HIS . 24.6 t 69.53 59.44 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 10.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.614 ' CD2' ' O ' ' A' ' 45' ' ' PHE . 8.1 m-70 -142.25 160.27 40.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 10.0 109.564 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -166.17 115.2 0.95 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 10.0 110.278 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.57 ' HB2' ' CE1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER 174.46 -179.43 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 10.0 110.32 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.419 ' CB ' ' O ' ' A' ' 50' ' ' GLU . 0.0 OUTLIER 80.12 -54.97 0.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 10.0 110.287 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.79 124.0 35.6 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 10.0 109.341 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -105.62 45.48 0.97 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 10.0 109.304 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.7 t -105.75 -33.02 8.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 10.0 110.397 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 64.46 114.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 10.0 109.306 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -177.46 44.77 0.1 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.54 1.15 . . . . 10.0 110.994 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.413 ' HB2' ' NH2' ' A' ' 143' ' ' ARG . 7.7 m -164.12 -49.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.327 -0.99 . . . . 10.0 108.327 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 59' ' ' SER . 15.3 t -109.03 -37.37 5.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.505 1.128 . . . . 10.0 110.369 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 58' ' ' THR . 79.8 p 38.97 72.73 0.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 10.0 109.976 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -166.45 -67.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 10.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -153.36 78.78 0.2 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.503 1.127 . . . . 10.0 111.012 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 60.49 5.48 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.509 1.794 . . . . 10.0 110.958 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.523 ' O ' ' CG ' ' A' ' 63' ' ' HIS . 0.3 OUTLIER -151.4 58.46 0.89 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 10.0 109.605 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.57 ' CE1' ' HB2' ' A' ' 50' ' ' GLU . 6.2 m-85 44.82 -158.41 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.115 . . . . 10.0 110.988 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.438 ' N ' ' ND2' ' A' ' 65' ' ' ASN . 0.4 OUTLIER -148.17 159.54 39.43 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 10.0 109.305 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 67' ' ' LEU . 18.2 Cg_endo -75.04 -48.54 0.17 Allowed 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.5 1.789 . . . . 10.0 110.966 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.478 ' CD1' HG21 ' A' ' 81' ' ' VAL . 0.2 OUTLIER -38.89 -50.52 1.73 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 10.0 109.3 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.418 ' O ' ' N ' ' A' ' 70' ' ' LYS . 47.1 t -71.16 -43.19 68.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 10.0 109.988 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.43 ' CB ' ' HG2' ' A' ' 78' ' ' GLU . 0.3 OUTLIER 69.48 -57.59 0.53 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.128 . . . . 10.0 110.325 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.572 ' HE3' ' CE1' ' A' ' 48' ' ' HIS . 0.0 OUTLIER 74.8 170.93 0.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 10.0 109.275 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.512 ' O ' ' CD2' ' A' ' 71' ' ' HIS . 28.9 t60 65.96 73.53 0.38 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 10.0 109.608 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 170.99 -120.31 0.84 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.478 1.111 . . . . 10.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -109.05 138.56 14.83 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.986 -0.845 . . . . 10.0 110.986 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.469 ' O ' ' HB3' ' A' ' 75' ' ' LYS . 18.3 Cg_endo -75.03 91.54 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.453 1.765 . . . . 10.0 111.015 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.469 ' HB3' ' O ' ' A' ' 74' ' ' PRO . 0.3 OUTLIER 73.17 29.82 1.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 10.0 109.284 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -125.15 -75.47 0.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 10.0 109.291 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -100.08 9.49 42.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 10.0 110.364 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.43 ' HG2' ' CB ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -168.37 -157.36 0.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 10.0 110.272 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.453 ' O ' ' CB ' ' A' ' 80' ' ' HIS . 0.4 OUTLIER 67.31 151.14 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 10.0 110.282 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.453 ' CB ' ' O ' ' A' ' 79' ' ' ARG . 0.1 OUTLIER 166.27 -29.98 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 10.0 109.624 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.478 HG21 ' CD1' ' A' ' 67' ' ' LEU . 40.4 t -140.71 66.0 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 10.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 162.51 -94.19 0.12 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.467 1.104 . . . . 10.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.418 ' O ' ' NE ' ' A' ' 79' ' ' ARG . 2.1 m-20 -47.7 128.25 12.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 0.747 . . . . 10.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 9.2 tt -131.01 -51.55 1.04 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 10.0 109.3 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.542 ' HA2' ' CE2' ' A' ' 45' ' ' PHE . . . 170.92 160.91 20.61 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.495 1.122 . . . . 10.0 110.984 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.606 ' OD1' ' CD1' ' A' ' 45' ' ' PHE . 2.1 m-20 -86.09 150.53 24.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.53 0.782 . . . . 10.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.1 m -110.61 134.0 54.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 10.0 109.26 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 90.2 m -107.5 147.58 30.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 10.0 110.379 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.441 ' CB ' ' HA2' ' A' ' 93' ' ' GLY . . . -86.56 175.63 8.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 10.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.441 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 11.6 t0 -83.69 -96.69 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 10.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.441 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 10.8 ptmt -135.33 8.53 3.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 10.0 109.263 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -157.5 25.43 0.29 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 10.0 109.308 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' A' ' 95' ' ' ALA . . . 97.05 -42.24 2.2 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.467 1.105 . . . . 10.0 110.958 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.415 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 21.6 t -39.27 98.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.471 0.748 . . . . 10.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 93' ' ' GLY . . . -101.49 113.14 25.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 10.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -111.61 144.4 40.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 10.0 109.301 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.446 ' CG1' HD12 ' A' ' 99' ' ' ILE . 44.0 t -120.83 162.81 19.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.55 1.156 . . . . 10.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.1 t -167.97 95.9 0.42 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 10.0 110.036 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.446 HD12 ' CG1' ' A' ' 97' ' ' VAL . 4.2 mt -125.86 143.26 39.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 10.0 109.322 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -125.4 86.63 2.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 10.0 110.275 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -106.9 137.69 44.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 10.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 77.0 p -116.77 31.92 6.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 10.0 110.044 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 98.2 t -106.09 -50.06 8.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 10.0 109.299 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.47 ' HB ' ' CG2' ' A' ' 112' ' ' ILE . 0.2 OUTLIER -68.89 -176.67 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 10.0 109.28 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.416 ' O ' ' N ' ' A' ' 111' ' ' SER . 0.9 OUTLIER -175.61 152.33 1.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 10.0 110.003 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.464 ' CD1' ' HG2' ' A' ' 22' ' ' GLN . 1.8 mp -89.99 7.23 38.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 10.0 109.342 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -93.76 -179.17 4.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 10.0 109.996 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -72.95 80.05 0.71 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.486 1.116 . . . . 10.0 110.982 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -167.9 -58.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 0.754 . . . . 10.0 109.325 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 48.2 m80 -112.57 -42.13 3.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 10.0 109.616 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.416 ' N ' ' O ' ' A' ' 105' ' ' SER . 37.2 t 45.89 93.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 10.0 109.992 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.47 ' CG2' ' HB ' ' A' ' 104' ' ' ILE . 30.6 pt -84.87 -19.8 8.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.426 1.079 . . . . 10.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 11.1 mm -54.81 129.7 16.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 10.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 121.03 2.04 11.25 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.508 1.13 . . . . 10.0 111.044 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.406 ' NH1' ' HA ' ' A' ' 112' ' ' ILE . 0.1 OUTLIER -93.32 136.04 33.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 0.751 . . . . 10.0 110.303 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.512 ' HG1' ' N ' ' A' ' 147' ' ' GLY . 3.6 t -129.85 131.82 46.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 10.0 110.398 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.72 77.98 9.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 10.0 109.327 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.486 ' CG2' ' O ' ' A' ' 145' ' ' ALA . 2.9 p -99.77 126.08 53.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.12 . . . . 10.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.454 ' CG2' HD12 ' A' ' 38' ' ' LEU . 18.2 m -102.54 151.82 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 10.0 109.362 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.477 ' CG ' ' HA3' ' A' ' 44' ' ' GLY . 28.7 m170 -86.43 170.61 11.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 10.0 109.616 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.409 ' HB2' ' CB ' ' A' ' 142' ' ' SER . 0.0 OUTLIER -69.73 -15.92 63.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.576 1.172 . . . . 10.0 110.288 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.42 ' HB2' ' CB ' ' A' ' 140' ' ' ALA . 1.7 tttt -138.72 -157.77 0.8 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 10.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -85.32 -159.71 0.46 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 10.0 109.317 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.422 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 0.2 OUTLIER -162.37 97.59 1.0 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 10.0 109.302 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . 0.466 ' O ' ' N ' ' A' ' 127' ' ' GLY . 0.7 OUTLIER -130.61 101.16 5.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.132 . . . . 10.0 109.295 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.5 mp -68.94 54.1 0.09 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.453 1.096 . . . . 10.0 109.308 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 125' ' ' ASP . . . 171.95 71.06 0.04 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.535 1.147 . . . . 10.0 110.977 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -111.74 -30.42 7.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 0.756 . . . . 10.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 156.79 -41.2 0.55 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.535 1.147 . . . . 10.0 110.981 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -104.41 119.72 6.37 Favored Glycine 0 CA--C 1.529 0.967 0 N-CA-C 111.004 -0.838 . . . . 10.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . 0.495 ' O ' ' CB ' ' A' ' 132' ' ' GLU . 1.2 p30 -100.82 107.5 19.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 0.754 . . . . 10.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . 0.495 ' CB ' ' O ' ' A' ' 131' ' ' ASN . 10.8 tt0 161.05 -27.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 10.0 110.296 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . 0.411 ' O ' ' OG1' ' A' ' 137' ' ' THR . 0.5 OUTLIER -116.03 -34.45 4.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 10.0 110.32 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 9.4 p -96.45 -3.78 42.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 10.0 110.017 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -88.12 -25.17 23.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 10.0 110.42 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 9.5 pttt -103.12 -33.68 9.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 10.0 109.348 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' THR . . . . . 0.411 ' OG1' ' O ' ' A' ' 133' ' ' GLN . 70.2 p -129.48 -91.78 0.46 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 10.0 110.409 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 171.97 40.71 0.04 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.525 1.141 . . . . 10.0 110.993 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 49.7 t30 52.6 22.46 2.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 0.758 . . . . 10.0 109.336 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.42 ' CB ' ' HB2' ' A' ' 122' ' ' LYS . . . -169.87 68.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 10.0 109.295 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -95.52 88.71 1.1 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.549 1.156 . . . . 10.0 110.971 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' SER . . . . . 0.409 ' CB ' ' HB2' ' A' ' 121' ' ' GLU . 0.3 OUTLIER -134.95 84.94 2.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 0.742 . . . . 10.0 110.025 179.943 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . 0.413 ' NH2' ' HB2' ' A' ' 57' ' ' CYS . 1.1 tmm_? -38.11 154.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 10.0 110.255 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 63.7 mt -130.4 -105.3 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 10.0 109.33 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . 0.486 ' O ' ' CG2' ' A' ' 118' ' ' VAL . . . -87.49 175.21 8.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 10.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 7.6 p -148.35 70.27 1.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 10.0 108.329 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . 0.512 ' N ' ' HG1' ' A' ' 116' ' ' THR . . . -70.61 63.86 0.85 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.497 1.123 . . . . 10.0 110.968 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . 0.463 ' CG2' ' HB ' ' A' ' 116' ' ' THR . 2.3 t -58.97 115.45 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 0.769 . . . . 10.0 109.288 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' ILE . . . . . 0.564 HG12 ' CE1' ' A' ' 20' ' ' PHE . 1.7 mp -60.97 115.38 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 10.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -127.56 131.7 7.22 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.53 1.144 . . . . 10.0 111.029 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 17.9 mm -40.7 148.2 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 0.753 . . . . 10.0 109.257 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -104.12 174.84 5.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 10.0 109.254 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 10.0 110.262 -179.953 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.533 ' CB ' ' HA ' ' A' ' 23' ' ' LYS . . . . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.301 -0.629 . . . . 10.0 109.301 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.0 m -132.7 157.54 44.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 10.0 110.382 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.458 ' CG ' ' O ' ' A' ' 20' ' ' PHE . 20.1 ttpt -140.08 110.67 6.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 10.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.501 ' CB ' ' HB2' ' A' ' 20' ' ' PHE . . . -84.22 168.44 15.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 10.0 109.32 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.41 HG22 ' CB ' ' A' ' 152' ' ' ALA . 2.3 t -143.22 159.48 17.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 10.0 109.272 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.419 ' CB ' HG21 ' A' ' 18' ' ' ILE . . . -152.68 92.29 1.65 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 10.0 109.336 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.2 m -84.21 95.91 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 10.0 109.31 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.496 ' CD2' HG23 ' A' ' 18' ' ' ILE . 4.6 mm? -41.62 140.25 0.99 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 10.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.63 -67.1 0.76 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.164 . . . . 10.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 64.76 115.52 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.511 1.132 . . . . 10.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.2 -19.81 3.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 0.781 . . . . 10.0 109.261 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.517 ' N ' ' CD ' ' A' ' 13' ' ' PRO . . . 161.9 -49.53 0.34 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.483 1.115 . . . . 10.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.517 ' CD ' ' N ' ' A' ' 12' ' ' GLY . 18.2 Cg_endo -75.04 7.49 2.86 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.497 1.788 . . . . 10.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.7 t -140.12 152.92 22.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 10.0 109.299 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 176.84 54.72 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.105 . . . . 10.0 110.334 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.49 ' CA ' ' HA ' ' A' ' 35' ' ' ILE . . . -74.43 171.97 52.62 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.54 1.15 . . . . 10.0 111.002 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.434 HG13 ' C ' ' A' ' 16' ' ' GLY . 63.6 mt -142.84 105.1 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.456 0.739 . . . . 10.0 109.271 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.524 ' CD1' ' N ' ' A' ' 19' ' ' ASN . 0.1 OUTLIER -109.29 134.29 51.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 10.0 109.282 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.524 ' N ' ' CD1' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -122.22 143.6 49.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 10.0 109.283 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.578 ' CE1' HG11 ' A' ' 31' ' ' VAL . 2.2 m-85 -108.77 134.86 50.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 10.0 111.022 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.511 ' HB2' ' CH2' ' A' ' 32' ' ' TRP . 0.0 OUTLIER -128.55 125.62 38.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 10.0 110.319 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.507 ' O ' ' CB ' ' A' ' 1' ' ' ALA . 1.6 tt0 -141.0 86.18 2.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 10.0 110.325 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.533 ' HA ' ' CB ' ' A' ' 1' ' ' ALA . 8.2 mtpt -86.73 45.5 1.26 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 10.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.421 ' HB3' ' N ' ' A' ' 27' ' ' GLY . 0.8 OUTLIER -155.7 137.44 14.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 10.0 110.3 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -78.78 -11.59 59.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 10.0 109.962 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -155.56 32.63 0.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 10.0 109.327 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.421 ' N ' ' HB3' ' A' ' 24' ' ' GLU . . . -111.23 -167.94 18.75 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.5 1.125 . . . . 10.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.433 ' HB3' ' CA ' ' A' ' 102' ' ' SER . 18.4 Cg_endo -75.06 -174.75 2.06 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.444 1.76 . . . . 10.0 110.975 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 85.3 t -134.97 92.2 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 10.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.506 ' O ' ' CZ3' ' A' ' 32' ' ' TRP . 16.4 mtpt -53.89 94.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 10.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.578 HG11 ' CE1' ' A' ' 20' ' ' PHE . 90.4 t -96.07 129.12 46.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 10.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.511 ' CH2' ' HB2' ' A' ' 21' ' ' GLU . 17.3 p90 -161.36 141.36 10.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 10.0 108.021 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -152.32 -167.76 15.68 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.513 1.133 . . . . 10.0 110.979 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 60.3 p -156.56 121.13 4.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 0.792 . . . . 10.0 110.02 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.49 ' HA ' ' CA ' ' A' ' 16' ' ' GLY . 0.3 OUTLIER -84.51 165.12 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 10.0 109.318 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.476 ' N ' ' CG2' ' A' ' 35' ' ' ILE . 66.3 mttt -154.46 118.78 4.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 10.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 122.7 -30.77 5.01 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.498 1.124 . . . . 10.0 110.982 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.478 ' CD1' HG21 ' A' ' 35' ' ' ILE . 3.0 mt -55.36 -166.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 0.731 . . . . 10.0 109.268 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.7 p -137.1 145.34 43.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.456 1.098 . . . . 10.0 110.423 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -53.68 96.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 10.0 110.294 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.453 ' O ' ' NE2' ' A' ' 43' ' ' HIS . . . -175.27 176.97 47.33 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.527 1.142 . . . . 10.0 110.965 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.474 ' CD2' ' OG1' ' A' ' 88' ' ' THR . 1.8 mt -92.62 128.4 38.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 0.781 . . . . 10.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.453 ' NE2' ' O ' ' A' ' 41' ' ' GLY . 0.0 OUTLIER -125.61 150.86 47.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 10.0 109.57 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.78 -163.67 0.04 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.476 1.11 . . . . 10.0 110.979 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.562 ' CD2' ' HA ' ' A' ' 83' ' ' ASP . 1.2 t80 -94.55 175.0 6.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 0.775 . . . . 10.0 111.016 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.471 ' CD2' ' H ' ' A' ' 46' ' ' HIS . 0.0 OUTLIER -120.91 73.55 1.03 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 10.0 109.588 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.499 HG23 ' CD2' ' A' ' 45' ' ' PHE . 21.7 t -152.44 88.05 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 10.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.611 ' CE1' ' NE2' ' A' ' 120' ' ' HIS . 3.0 m-70 -132.12 76.35 1.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 10.0 109.588 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.8 pm0 -177.46 -179.81 0.87 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 10.0 110.322 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.47 ' O ' ' CB ' ' A' ' 51' ' ' GLU . 1.7 tp10 -179.01 156.24 0.79 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 10.0 110.323 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.47 ' CB ' ' O ' ' A' ' 50' ' ' GLU . 2.5 tt0 83.73 -51.36 0.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 10.0 110.313 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 60.01 153.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 10.0 109.27 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 175.79 -36.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 10.0 109.304 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.445 ' O ' ' CB ' ' A' ' 55' ' ' ALA . 1.0 OUTLIER -134.31 -44.56 0.77 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 10.0 110.396 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.445 ' CB ' ' O ' ' A' ' 54' ' ' THR . . . 165.95 -82.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 10.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 143.94 -102.55 0.28 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.446 1.091 . . . . 10.0 111.016 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 7.2 t 41.93 42.44 2.27 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.289 -1.004 . . . . 10.0 108.289 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.421 HG23 ' N ' ' A' ' 59' ' ' SER . 0.8 OUTLIER -93.52 -58.91 2.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 10.0 110.387 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.421 ' N ' HG23 ' A' ' 58' ' ' THR . 13.7 m 65.61 91.57 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 10.0 109.945 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -158.75 -50.17 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 10.0 109.313 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -168.37 119.74 0.85 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.439 1.087 . . . . 10.0 110.992 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 179.77 5.76 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.454 1.765 . . . . 10.0 111.028 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 8.9 p-80 -154.03 -45.37 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 10.0 109.612 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.524 ' CD2' ' HD2' ' A' ' 136' ' ' LYS . 25.8 m-85 56.51 -176.96 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 10.0 110.985 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.456 ' HB3' ' CG1' ' A' ' 81' ' ' VAL . 22.3 t30 -117.16 142.68 30.43 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 10.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 71.61 4.94 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.501 1.79 . . . . 10.0 111.008 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -151.98 -46.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 10.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.416 ' O ' ' OD2' ' A' ' 76' ' ' ASP . 0.2 OUTLIER -58.6 -34.3 70.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 10.0 110.009 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 75.39 -8.86 1.5 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 10.0 110.281 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.408 ' H ' ' C ' ' A' ' 68' ' ' SER . 0.0 OUTLIER 69.98 170.22 0.31 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 10.0 109.277 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.556 ' CD2' ' CB ' ' A' ' 75' ' ' LYS . 1.0 OUTLIER 50.64 50.28 19.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 10.0 109.633 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -61.46 133.46 47.88 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.532 1.145 . . . . 10.0 110.967 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 133.84 -126.09 4.14 Favored Glycine 0 CA--C 1.531 1.057 0 N-CA-C 110.973 -0.851 . . . . 10.0 110.973 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 0.21 9.15 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.51 1.795 . . . . 10.0 111.004 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.556 ' CB ' ' CD2' ' A' ' 71' ' ' HIS . 0.1 OUTLIER -130.57 35.89 3.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 10.0 109.273 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.449 ' CB ' ' O ' ' A' ' 75' ' ' LYS . 2.8 t0 160.12 127.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 10.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.407 ' O ' ' OE2' ' A' ' 77' ' ' GLU . 12.1 tp10 -102.46 -0.89 31.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 10.0 110.271 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.471 ' O ' ' C ' ' A' ' 79' ' ' ARG . 6.1 mm-40 -86.42 -74.77 0.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 10.0 110.316 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.471 ' C ' ' O ' ' A' ' 78' ' ' GLU . 0.0 OUTLIER 32.3 39.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.453 1.095 . . . . 10.0 110.293 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.455 ' N ' ' O ' ' A' ' 78' ' ' GLU . 53.7 t60 -98.85 -1.13 40.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 10.0 109.616 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.456 ' CG1' ' HB3' ' A' ' 65' ' ' ASN . 2.3 t -151.08 43.32 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 10.0 109.336 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -159.8 -122.61 0.66 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.513 1.133 . . . . 10.0 110.993 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.562 ' HA ' ' CD2' ' A' ' 45' ' ' PHE . 3.8 m-20 -116.29 146.34 42.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 0.752 . . . . 10.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.414 HD12 ' NH1' ' A' ' 79' ' ' ARG . 1.2 tp -82.24 -53.62 5.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 10.0 109.25 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -169.9 -133.16 1.55 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.499 1.124 . . . . 10.0 110.972 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 -126.6 143.35 51.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.435 0.727 . . . . 10.0 109.341 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -99.18 178.89 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 10.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.474 ' OG1' ' CD2' ' A' ' 42' ' ' LEU . 87.4 m -154.81 147.88 24.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 10.0 110.45 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -86.68 174.7 8.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 10.0 109.301 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.445 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 12.4 t0 -87.36 -97.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 10.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.445 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 39.9 pttt -137.31 10.09 2.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.086 . . . . 10.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -148.34 19.26 1.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 10.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.415 ' HA3' ' C ' ' A' ' 38' ' ' LEU . . . 89.84 -27.73 7.83 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.483 1.114 . . . . 10.0 110.989 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.454 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 40.0 t -47.1 107.13 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.489 0.758 . . . . 10.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -113.05 117.3 31.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 10.0 109.289 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -111.89 147.27 36.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 10.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 93.3 t -121.94 163.36 20.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 10.0 109.317 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 22.7 t -169.0 97.32 0.36 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 10.0 109.984 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.4 mt -130.65 160.54 41.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 10.0 109.309 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.405 ' CG ' ' HG2' ' A' ' 30' ' ' LYS . 3.9 mt-10 -127.29 88.05 2.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 10.0 110.28 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -87.89 117.86 27.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 10.0 109.266 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.433 ' CA ' ' HB3' ' A' ' 28' ' ' PRO . 1.1 p -111.18 21.33 16.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 10.0 110.018 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -110.79 -23.21 4.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 10.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.475 ' HB ' ' CG2' ' A' ' 112' ' ' ILE . 1.6 pp -107.48 179.5 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 10.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.1 m -177.37 179.5 0.95 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 10.0 109.982 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.429 HD23 ' CG1' ' A' ' 113' ' ' ILE . 0.4 OUTLIER -93.89 38.03 1.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 10.0 109.258 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 111' ' ' SER . 0.4 OUTLIER -122.43 148.74 44.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 10.0 109.999 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.596 ' O ' ' CB ' ' A' ' 109' ' ' ASP . . . -46.29 147.62 2.62 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.531 1.144 . . . . 10.0 111.021 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.596 ' CB ' ' O ' ' A' ' 108' ' ' GLY . 18.6 t0 89.98 -37.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 0.768 . . . . 10.0 109.329 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 57.3 m80 -124.51 3.09 8.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 10.0 109.617 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 107' ' ' SER . 79.2 p -38.13 114.16 0.34 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 10.0 109.984 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.475 ' CG2' ' HB ' ' A' ' 104' ' ' ILE . 34.9 pt -95.22 -32.03 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 10.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.429 ' CG1' HD23 ' A' ' 106' ' ' LEU . 31.0 mm -41.82 117.21 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.1 . . . . 10.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 116.6 27.82 2.7 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.451 1.095 . . . . 10.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.495 ' O ' ' CD1' ' A' ' 149' ' ' ILE . 5.5 mmt180 -86.8 66.77 9.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 0.737 . . . . 10.0 110.302 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 55.3 m -41.94 94.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.441 1.088 . . . . 10.0 110.351 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.468 ' N ' ' O ' ' A' ' 115' ' ' ARG . 0.2 OUTLIER -70.4 111.54 6.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 10.0 109.293 179.952 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 7.6 p -138.15 117.28 14.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 10.0 109.28 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 5.4 m -67.82 145.4 13.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 10.0 109.323 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.611 ' NE2' ' CE1' ' A' ' 48' ' ' HIS . 0.4 OUTLIER -84.48 137.54 33.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 10.0 109.549 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -43.95 -35.88 2.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 10.0 110.255 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 7.9 tttt -164.42 145.19 8.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 10.0 109.284 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.434 ' HB2' ' CA ' ' A' ' 43' ' ' HIS . . . -73.56 -175.89 2.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 10.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.402 ' CG ' ' O ' ' A' ' 124' ' ' ASP . 34.8 t0 -93.09 24.98 3.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 10.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 50.68 34.22 9.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 10.0 109.28 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 17.9 mt 57.12 19.8 5.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 10.0 109.333 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 121.73 115.49 2.35 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.519 1.137 . . . . 10.0 111.01 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 2.4 pttp -110.49 -29.73 7.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 0.768 . . . . 10.0 109.33 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 130.4 -52.3 0.83 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.508 1.13 . . . . 10.0 110.973 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -38.27 152.36 0.03 OUTLIER Glycine 0 CA--C 1.529 0.964 0 N-CA-C 111.003 -0.839 . . . . 10.0 111.003 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . 0.498 ' O ' ' CB ' ' A' ' 132' ' ' GLU . 84.8 m-20 -133.02 130.85 39.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 0.768 . . . . 10.0 109.29 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . 0.498 ' CB ' ' O ' ' A' ' 131' ' ' ASN . 0.0 OUTLIER 86.35 18.78 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 10.0 110.294 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -139.97 -72.56 0.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 10.0 110.3 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 83.9 p -82.52 -15.87 50.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 10.0 110.01 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' THR . . . . . 0.501 ' O ' ' CA ' ' A' ' 71' ' ' HIS . 17.3 p -68.71 -21.0 64.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 10.0 110.381 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.524 ' HD2' ' CD2' ' A' ' 64' ' ' PHE . 0.5 OUTLIER -109.07 -32.9 7.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 10.0 109.259 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' THR . . . . . 0.401 ' OG1' ' N ' ' A' ' 138' ' ' GLY . 81.6 p -121.94 -99.75 0.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 10.0 110.383 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . 0.401 ' N ' ' OG1' ' A' ' 137' ' ' THR . . . 174.58 38.98 0.04 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.52 1.138 . . . . 10.0 110.98 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 50.21 25.43 1.79 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 0.76 . . . . 10.0 109.356 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 141' ' ' GLY . . . -120.77 -57.98 1.85 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.486 1.116 . . . . 10.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 140' ' ' ALA . . . 36.79 91.97 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.477 1.111 . . . . 10.0 110.971 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -167.81 114.91 0.73 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 0.773 . . . . 10.0 109.976 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.4 mpt_? -84.19 141.36 31.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.097 . . . . 10.0 110.287 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.4 mp -125.64 -59.24 1.37 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 10.0 109.266 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -110.74 170.51 8.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 10.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -155.87 69.95 0.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.578 1.174 . . . . 10.0 108.281 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . 0.478 ' CA ' ' HA ' ' A' ' 8' ' ' LEU . . . -49.55 -48.91 34.4 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.51 1.131 . . . . 10.0 110.968 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 3.6 t 65.12 126.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.476 0.75 . . . . 10.0 109.312 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' ILE . . . . . 0.575 HG12 ' CE1' ' A' ' 20' ' ' PHE . 2.1 mp -89.22 118.7 35.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 10.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -132.45 127.53 4.89 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.558 1.161 . . . . 10.0 111.005 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 20.2 mm -42.33 143.34 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.522 0.777 . . . . 10.0 109.306 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . 0.41 ' CB ' HG22 ' A' ' 5' ' ' VAL . . . -142.56 164.58 29.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 10.0 109.301 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 10.0 110.298 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 22' ' ' GLN . . . . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.247 -0.649 . . . . 10.0 109.247 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.435 HG23 ' CD1' ' A' ' 151' ' ' ILE . 0.7 OUTLIER -85.58 120.08 26.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 10.0 110.394 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -108.98 106.72 16.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.113 . . . . 10.0 109.247 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.479 ' CB ' ' HB2' ' A' ' 20' ' ' PHE . . . -87.32 150.73 23.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 10.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.0 t -129.18 150.49 34.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 10.0 109.287 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 18' ' ' ILE . . . -153.37 88.89 1.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 10.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 6.2 p -84.12 101.8 9.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 10.0 109.271 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.482 HD23 ' CG2' ' A' ' 18' ' ' ILE . 0.8 OUTLIER -51.05 133.54 27.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 10.0 109.332 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -159.04 130.58 6.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 10.0 109.309 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 11' ' ' ASP . . . 177.88 -101.03 0.15 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.546 1.154 . . . . 10.0 110.951 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 10' ' ' GLY . 26.9 t0 -38.16 -51.82 1.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 0.758 . . . . 10.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.468 ' N ' ' CD ' ' A' ' 13' ' ' PRO . . . 146.23 -53.02 0.56 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.467 1.104 . . . . 10.0 111.018 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.481 ' O ' ' N ' ' A' ' 15' ' ' GLN . 18.3 Cg_endo -75.01 -41.34 0.67 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.532 1.806 . . . . 10.0 111.02 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 55.6 t -62.3 79.15 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 10.0 109.31 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.481 ' N ' ' O ' ' A' ' 13' ' ' PRO . 0.0 OUTLIER -108.73 37.72 2.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 10.0 110.275 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.478 ' N ' ' HB2' ' A' ' 8' ' ' LEU . . . -56.37 164.65 5.15 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.556 1.16 . . . . 10.0 111.012 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.412 HG13 ' O ' ' A' ' 16' ' ' GLY . 39.4 mt -141.67 102.98 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.433 0.725 . . . . 10.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.482 ' CG2' HD23 ' A' ' 8' ' ' LEU . 0.1 OUTLIER -109.13 129.61 63.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.12 . . . . 10.0 109.27 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.428 ' N ' HD11 ' A' ' 18' ' ' ILE . 0.1 OUTLIER -125.26 141.53 52.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.145 . . . . 10.0 109.29 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.494 ' CD2' HD12 ' A' ' 112' ' ' ILE . 12.0 m-85 -113.22 111.88 22.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 10.0 110.968 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 30' ' ' LYS . 22.5 tt0 -110.71 139.77 45.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 10.0 110.305 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 1' ' ' ALA . 37.6 tt0 -139.98 80.09 1.75 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 10.0 110.324 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.413 ' HA ' ' N ' ' A' ' 1' ' ' ALA . 1.1 tttt -73.62 58.36 0.6 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 10.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.481 ' O ' ' CB ' ' A' ' 25' ' ' SER . 0.2 OUTLIER -155.88 -48.0 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 10.0 110.302 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.481 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 1.1 t 83.39 -8.56 1.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 10.0 109.997 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -159.83 27.32 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 10.0 109.307 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -129.93 -154.96 8.24 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.486 1.117 . . . . 10.0 110.972 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 136.68 20.74 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.482 1.78 . . . . 10.0 111.018 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 97.4 t -91.61 114.36 28.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 10.0 109.284 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 21' ' ' GLU . 4.8 mttm -72.0 93.82 1.42 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 10.0 109.278 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.491 HG12 ' CZ ' ' A' ' 20' ' ' PHE . 25.0 t -88.85 130.1 38.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 10.0 109.305 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -159.51 148.65 18.11 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.012 -1.107 . . . . 10.0 108.012 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.41 ' O ' ' HA ' ' A' ' 96' ' ' ASP . . . -164.69 -172.44 32.16 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.493 1.121 . . . . 10.0 110.967 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.7 p -156.9 121.45 4.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 0.755 . . . . 10.0 110.057 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.528 ' O ' ' CG1' ' A' ' 94' ' ' VAL . 0.6 OUTLIER -90.71 165.82 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 10.0 109.342 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.477 ' N ' ' CG2' ' A' ' 35' ' ' ILE . 53.2 mttt -149.38 115.36 5.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 10.0 109.258 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.523 ' O ' ' N ' ' A' ' 39' ' ' THR . . . 127.0 -48.22 0.98 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.522 1.139 . . . . 10.0 110.974 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.58 ' CD2' ' CG ' ' A' ' 43' ' ' HIS . 1.1 mp -58.09 81.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 0.774 . . . . 10.0 109.361 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.523 ' N ' ' O ' ' A' ' 37' ' ' GLY . 71.9 p -37.67 153.96 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 10.0 110.429 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.468 ' HA ' ' CB ' ' A' ' 89' ' ' ALA . 6.6 pt-20 -44.02 125.45 4.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 10.0 110.317 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.447 ' O ' ' CD2' ' A' ' 43' ' ' HIS . . . 141.25 170.97 12.45 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.451 1.094 . . . . 10.0 111.006 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 8.0 mp -72.1 155.66 40.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 0.753 . . . . 10.0 109.31 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.58 ' CG ' ' CD2' ' A' ' 38' ' ' LEU . 81.5 m-70 -154.47 75.05 0.98 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 10.0 109.631 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 43' ' ' HIS . . . 32.96 -138.3 0.11 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.467 1.104 . . . . 10.0 110.983 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.648 ' CE1' ' NE2' ' A' ' 46' ' ' HIS . 33.0 t80 -150.42 174.02 13.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 0.749 . . . . 10.0 110.973 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.648 ' NE2' ' CE1' ' A' ' 45' ' ' PHE . 0.1 OUTLIER -94.94 174.46 7.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 10.0 109.586 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 4.2 t 74.81 60.37 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 10.0 109.265 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.554 ' CE1' HG13 ' A' ' 118' ' ' VAL . 19.0 p-80 -150.1 108.51 3.79 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.536 1.148 . . . . 10.0 109.559 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.435 ' CB ' ' HB3' ' A' ' 62' ' ' PRO . 0.5 OUTLIER -97.66 91.19 5.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 10.0 110.308 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -120.37 72.85 0.96 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 10.0 110.251 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -178.1 -174.02 0.4 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 10.0 110.279 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.472 ' O ' ' CB ' ' A' ' 53' ' ' ASN . 16.3 t70 178.24 132.49 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 10.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.472 ' CB ' ' O ' ' A' ' 52' ' ' ASP . 8.2 t30 79.66 50.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 10.0 109.268 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.1 t -98.09 -45.59 6.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 10.0 110.38 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 73.85 118.47 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 10.0 109.231 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 110.89 -42.27 2.01 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.474 1.108 . . . . 10.0 111.03 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.7 t -95.34 -147.71 0.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.284 -1.006 . . . . 10.0 108.284 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 72.0 p -141.27 117.57 10.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 10.0 110.427 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -163.37 83.57 0.48 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 10.0 109.983 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -119.8 -40.19 2.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 10.0 109.278 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -145.77 99.69 0.21 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.515 1.134 . . . . 10.0 111.019 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.435 ' HB3' ' CB ' ' A' ' 49' ' ' GLU . 18.2 Cg_endo -75.04 132.45 15.38 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.504 1.791 . . . . 10.0 110.976 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -148.29 76.52 1.37 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 10.0 109.598 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -59.78 -156.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 10.0 110.986 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -94.1 119.35 66.81 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 10.0 109.292 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 78.79 2.82 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.508 1.794 . . . . 10.0 111.012 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.501 ' O ' ' C ' ' A' ' 68' ' ' SER . 0.4 OUTLIER -174.82 -42.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 10.0 109.281 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.54 ' HA ' ' CB ' ' A' ' 79' ' ' ARG . 5.1 t -29.94 -77.28 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.536 1.148 . . . . 10.0 109.981 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 71.66 -59.22 0.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 10.0 110.264 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.408 ' O ' ' O ' ' A' ' 71' ' ' HIS . 3.4 mttm -118.06 -175.39 2.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 10.0 109.341 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.446 ' N ' ' O ' ' A' ' 135' ' ' THR . 0.1 OUTLIER -48.24 -97.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 10.0 109.604 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.431 ' HA2' ' OD1' ' A' ' 76' ' ' ASP . . . 121.71 144.77 6.95 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.485 1.116 . . . . 10.0 111.024 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 138.9 -134.29 6.69 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 111.02 -0.832 . . . . 10.0 111.02 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 1.87 7.22 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.533 1.807 . . . . 10.0 111.043 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.538 ' O ' ' CB ' ' A' ' 76' ' ' ASP . 0.2 OUTLIER -140.6 55.13 1.59 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 10.0 109.288 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.538 ' CB ' ' O ' ' A' ' 75' ' ' LYS . 0.2 OUTLIER 152.86 122.24 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 10.0 109.284 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.429 ' OE1' ' C ' ' A' ' 77' ' ' GLU . 0.3 OUTLIER -85.28 -9.88 57.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 10.0 110.342 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.505 ' N ' ' OD1' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -57.89 -156.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 10.0 110.298 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.54 ' CB ' ' HA ' ' A' ' 68' ' ' SER . 0.0 OUTLIER -104.46 157.12 17.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 10.0 110.272 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.428 ' O ' ' CG1' ' A' ' 81' ' ' VAL . 2.6 t-160 -112.61 49.88 0.9 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 10.0 109.57 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.428 ' CG1' ' O ' ' A' ' 80' ' ' HIS . 4.8 p 43.55 45.9 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.102 . . . . 10.0 109.348 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.408 ' O ' ' CB ' ' A' ' 83' ' ' ASP . . . 169.63 -28.33 0.13 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.443 1.089 . . . . 10.0 111.037 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.463 ' O ' ' CD2' ' A' ' 84' ' ' LEU . 12.1 t0 75.45 83.91 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 0.755 . . . . 10.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.576 ' HB2' ' CZ ' ' A' ' 45' ' ' PHE . 0.1 OUTLIER 175.28 -80.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 10.0 109.308 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 156.0 -119.98 0.96 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.458 1.099 . . . . 10.0 111.02 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.405 ' ND2' ' OD2' ' A' ' 124' ' ' ASP . 66.3 m-20 -135.88 134.63 38.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.764 . . . . 10.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 34.8 m -86.33 151.53 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 10.0 109.282 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -134.8 148.29 50.16 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 10.0 110.368 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.468 ' CB ' ' HA ' ' A' ' 40' ' ' GLU . . . -85.15 173.56 10.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 10.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.424 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 8.5 t0 -88.39 -98.08 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 10.0 109.279 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.424 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 29.0 pttt -137.61 11.69 2.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 10.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -137.72 13.56 2.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 10.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.475 ' HA2' ' O ' ' A' ' 38' ' ' LEU . . . 84.64 -6.58 77.09 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.485 1.116 . . . . 10.0 111.009 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.528 ' CG1' ' O ' ' A' ' 35' ' ' ILE . 96.7 t -79.1 136.19 24.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.503 0.766 . . . . 10.0 109.352 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -124.94 117.58 24.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 10.0 109.317 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.41 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 1.5 p-10 -102.04 152.22 21.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 10.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.412 HG13 ' N ' ' A' ' 98' ' ' SER . 46.5 t -127.32 159.43 37.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 10.0 109.344 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.412 ' N ' HG13 ' A' ' 97' ' ' VAL . 51.0 p -169.31 92.68 0.26 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 10.0 109.994 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 32.2 mt -136.57 158.88 37.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 10.0 109.281 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.415 ' CG ' ' O ' ' A' ' 100' ' ' GLU . 1.5 pt-20 -126.56 96.03 4.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 10.0 110.321 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -92.82 131.95 37.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 10.0 109.33 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 15.2 p -113.03 -47.06 3.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 10.0 109.981 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 85.6 t -44.92 -52.73 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 10.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.514 ' C ' ' CD1' ' A' ' 104' ' ' ILE . 1.7 pp -68.94 177.11 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 10.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.05 158.08 41.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 10.0 110.002 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -76.93 -28.44 55.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 10.0 109.258 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.68 158.8 40.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 10.0 110.018 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 124.98 -82.87 0.35 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.476 1.11 . . . . 10.0 110.985 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -135.85 -49.96 0.7 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 0.744 . . . . 10.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 32.4 m80 -92.62 36.59 1.01 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.1 . . . . 10.0 109.585 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 46.3 t -48.97 117.3 2.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 10.0 109.995 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.494 HD12 ' CD2' ' A' ' 20' ' ' PHE . 13.3 pt -85.24 -24.44 6.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 10.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 8.1 mt -49.33 132.88 7.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 10.0 109.275 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 102.22 22.91 9.43 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.502 1.126 . . . . 10.0 110.977 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 117' ' ' LEU . 22.6 mtt180 -84.02 79.69 9.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 0.747 . . . . 10.0 110.312 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.515 ' CG2' HG22 ' A' ' 148' ' ' VAL . 15.1 m -54.15 89.12 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 10.0 110.432 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 115' ' ' ARG . 0.0 OUTLIER -61.35 112.94 2.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 10.0 109.318 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.554 HG13 ' CE1' ' A' ' 48' ' ' HIS . 8.0 p -144.22 107.75 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 10.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.487 ' CG2' HD21 ' A' ' 38' ' ' LEU . 29.5 m -70.99 178.6 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 10.0 109.332 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.472 ' CD2' ' CE1' ' A' ' 48' ' ' HIS . 10.4 m170 -98.98 161.25 13.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 10.0 109.629 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.4 ' CB ' ' HB2' ' A' ' 142' ' ' SER . 3.8 tt0 -94.83 26.76 3.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 10.0 110.293 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 179.79 157.79 0.67 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 10.0 109.31 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -81.13 178.93 8.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 10.0 109.335 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.405 ' OD2' ' ND2' ' A' ' 86' ' ' ASN . 4.3 m-20 -116.75 90.75 3.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 10.0 109.3 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.52 -20.84 14.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 10.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 7.7 mt 58.29 19.32 6.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 10.0 109.278 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 172.7 76.72 0.05 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.497 1.123 . . . . 10.0 111.003 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 11.4 mttm -94.47 -24.01 17.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 0.779 . . . . 10.0 109.279 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 127.02 -38.13 2.23 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.512 1.132 . . . . 10.0 111.017 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -68.34 -169.63 5.39 Favored Glycine 0 CA--C 1.531 1.047 0 N-CA-C 110.994 -0.842 . . . . 10.0 110.994 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . 0.417 ' HA ' ' CG2' ' A' ' 135' ' ' THR . 1.1 m-80 -152.93 144.22 23.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 0.775 . . . . 10.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 73.98 29.71 1.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 10.0 110.304 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -154.37 -62.2 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 10.0 110.28 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 90.5 p -87.67 -12.2 46.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 10.0 110.007 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 71' ' ' HIS . 12.4 p -78.98 -17.82 54.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 10.0 110.42 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.77 -31.86 7.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 10.0 109.313 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' THR . . . . . 0.429 ' OG1' ' N ' ' A' ' 138' ' ' GLY . 59.2 p -138.71 -102.58 0.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 10.0 110.402 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . 0.429 ' N ' ' OG1' ' A' ' 137' ' ' THR . . . -160.69 28.07 0.31 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.482 1.113 . . . . 10.0 110.965 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 50.25 40.86 23.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 0.754 . . . . 10.0 109.319 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 141' ' ' GLY . . . -127.24 -61.96 1.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 10.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 140' ' ' ALA . . . 36.78 88.96 0.01 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.455 1.097 . . . . 10.0 111.001 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' SER . . . . . 0.4 ' HB2' ' CB ' ' A' ' 121' ' ' GLU . 4.5 m -154.06 109.82 3.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 0.742 . . . . 10.0 109.983 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 15.3 mtp180 -61.91 172.05 1.47 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 10.0 110.336 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 2.6 mp -146.99 -71.55 0.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 10.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -121.7 167.38 13.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 10.0 109.344 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' CYS . . . . . 0.469 ' HB2' ' CG2' ' A' ' 116' ' ' THR . 0.6 OUTLIER -144.44 69.28 1.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 10.0 108.302 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . 0.411 ' O ' ' HB ' ' A' ' 148' ' ' VAL . . . -46.96 -51.76 12.97 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.485 1.115 . . . . 10.0 111.014 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . 0.515 HG22 ' CG2' ' A' ' 116' ' ' THR . 3.8 t 65.91 138.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 0.779 . . . . 10.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' ILE . . . . . 0.463 HG22 ' CB ' ' A' ' 4' ' ' ALA . 2.5 mp -91.42 130.13 41.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 10.0 109.261 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -139.18 129.08 4.26 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.508 1.13 . . . . 10.0 111.034 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . 0.435 ' CD1' HG23 ' A' ' 2' ' ' THR . 23.1 mm -47.93 139.02 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.559 0.799 . . . . 10.0 109.273 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -141.28 171.36 14.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 10.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 10.0 110.296 -179.985 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' A' ' 22' ' ' GLN . . . . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.316 -0.624 . . . . 10.0 109.316 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.604 ' CG2' ' CD1' ' A' ' 151' ' ' ILE . 27.9 m -85.21 79.17 9.64 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.094 . . . . 10.0 110.37 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.462 ' CG ' ' O ' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -84.68 120.86 26.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 10.0 109.313 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -107.01 164.33 12.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 10.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.539 ' CG2' ' CB ' ' A' ' 152' ' ' ALA . 17.6 t -132.79 166.54 29.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 10.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.474 ' CB ' HG13 ' A' ' 149' ' ' ILE . . . -156.64 95.82 1.58 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 10.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.435 ' CG1' ' O ' ' A' ' 7' ' ' VAL . 10.9 p -81.07 89.68 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 10.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.477 HD13 ' CB ' ' A' ' 145' ' ' ALA . 2.3 mm? -37.9 151.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 10.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 50.5 tttt -178.97 130.43 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 10.0 109.27 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -171.25 -104.07 0.17 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.507 1.129 . . . . 10.0 111.013 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.482 ' HB2' ' CD2' ' A' ' 144' ' ' LEU . 35.2 t0 -44.99 -68.06 0.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 0.769 . . . . 10.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.465 ' N ' ' CD ' ' A' ' 13' ' ' PRO . . . 163.0 -53.05 0.3 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.485 1.115 . . . . 10.0 110.983 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.465 ' CD ' ' N ' ' A' ' 12' ' ' GLY . 18.3 Cg_endo -74.98 -13.4 21.46 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.525 1.802 . . . . 10.0 110.995 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.464 ' CG2' HD11 ' A' ' 38' ' ' LEU . 0.5 OUTLIER -96.65 116.55 39.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 10.0 109.285 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -147.37 62.03 1.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 10.0 110.318 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.476 ' CA ' ' HA ' ' A' ' 35' ' ' ILE . . . -60.28 175.31 4.38 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.51 1.131 . . . . 10.0 110.974 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 53.7 mt -141.75 95.6 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.495 0.762 . . . . 10.0 109.288 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.507 ' CD1' ' N ' ' A' ' 19' ' ' ASN . 0.1 OUTLIER -107.77 136.5 42.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 10.0 109.272 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.507 ' N ' ' CD1' ' A' ' 18' ' ' ILE . 0.1 OUTLIER -130.92 147.31 52.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 10.0 109.308 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.664 ' CE1' ' CG1' ' A' ' 31' ' ' VAL . 2.8 m-85 -113.82 144.59 42.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.44 1.088 . . . . 10.0 111.009 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -140.25 143.34 35.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 10.0 110.292 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.468 ' O ' ' N ' ' A' ' 1' ' ' ALA . 4.4 tp60 -153.67 70.15 0.83 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 10.0 110.313 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.441 ' HA ' ' N ' ' A' ' 1' ' ' ALA . 0.5 OUTLIER -83.93 48.8 1.51 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 10.0 109.292 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.42 ' HB3' ' N ' ' A' ' 27' ' ' GLY . 10.9 mm-40 -155.78 142.63 18.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 10.0 110.321 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.8 m -81.68 -11.89 58.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 10.0 109.964 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -155.51 35.95 0.37 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 10.0 109.281 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.42 ' N ' ' HB3' ' A' ' 24' ' ' GLU . . . -113.9 171.26 13.7 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.48 1.112 . . . . 10.0 110.973 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.403 ' C ' ' OE1' ' A' ' 22' ' ' GLN . 18.3 Cg_endo -74.96 147.89 34.72 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.53 1.805 . . . . 10.0 111.017 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 38.6 t -84.96 92.52 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 10.0 109.272 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.463 ' O ' ' CZ3' ' A' ' 32' ' ' TRP . 26.6 mttt -53.72 98.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 10.0 109.312 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.664 ' CG1' ' CE1' ' A' ' 20' ' ' PHE . 59.1 t -103.01 124.57 57.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 10.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.463 ' CZ3' ' O ' ' A' ' 30' ' ' LYS . 33.1 p90 -148.76 141.37 24.44 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.999 -1.111 . . . . 10.0 107.999 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -153.78 -174.65 24.21 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.454 1.096 . . . . 10.0 110.993 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.7 t -155.57 120.88 4.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 0.77 . . . . 10.0 109.973 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.539 ' O ' ' HA ' ' A' ' 94' ' ' VAL . 0.5 OUTLIER -84.01 160.51 3.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 10.0 109.318 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.523 ' CG ' ' O ' ' A' ' 35' ' ' ILE . 49.9 mttt -156.77 103.61 2.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 10.0 109.283 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.431 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 161.56 -56.82 0.31 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.473 1.108 . . . . 10.0 110.994 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.528 HD12 ' CG2' ' A' ' 35' ' ' ILE . 1.1 mp -57.96 -156.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 0.742 . . . . 10.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.41 ' CA ' ' CA ' ' A' ' 93' ' ' GLY . 50.2 p -149.93 154.07 37.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 10.0 110.422 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -40.37 115.75 0.59 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 10.0 110.314 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.402 ' C ' HD12 ' A' ' 42' ' ' LEU . . . 160.02 -148.91 18.01 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.474 1.109 . . . . 10.0 111.011 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.454 ' O ' ' ND1' ' A' ' 43' ' ' HIS . 0.4 OUTLIER -104.93 166.67 10.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 0.765 . . . . 10.0 109.31 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.454 ' ND1' ' O ' ' A' ' 42' ' ' LEU . 34.4 m-70 -141.85 161.69 37.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 10.0 109.624 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.49 ' HA3' ' CG ' ' A' ' 120' ' ' HIS . . . -52.43 -99.51 0.01 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.471 1.107 . . . . 10.0 111.041 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.459 ' O ' ' NH2' ' A' ' 143' ' ' ARG . 24.0 t80 177.42 156.14 0.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 0.79 . . . . 10.0 110.967 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.569 ' CE1' HG21 ' A' ' 87' ' ' VAL . 0.0 OUTLIER -87.43 176.09 7.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 10.0 109.639 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.402 ' HB ' ' O ' ' A' ' 46' ' ' HIS . 11.5 t 74.21 129.21 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 10.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.443 ' O ' ' CG ' ' A' ' 48' ' ' HIS . 2.6 p-80 -161.48 116.6 2.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 10.0 109.618 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 72.13 148.96 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 10.0 110.235 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.13 123.32 24.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 10.0 110.29 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 76.94 -175.65 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 10.0 110.33 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -163.02 144.06 9.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 10.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 34.0 m-80 -168.91 38.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 10.0 109.344 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 3.1 t -126.71 -53.52 1.44 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 10.0 110.393 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 75.61 -57.82 0.57 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 10.0 109.314 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -67.68 -32.32 78.04 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.507 1.13 . . . . 10.0 110.979 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 5.9 m 64.87 129.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.28 -1.007 . . . . 10.0 108.28 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 56.8 p -119.45 -149.59 0.44 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 10.0 110.444 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 63.3 p -123.69 81.98 1.96 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 10.0 109.961 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -103.65 -67.96 0.86 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.557 1.161 . . . . 10.0 109.27 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 179.21 89.21 0.07 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.461 1.101 . . . . 10.0 111.009 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 111.14 3.26 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.515 1.797 . . . . 10.0 111.015 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.3 p80 -155.14 42.38 0.45 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 10.0 109.6 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 43.55 -163.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 10.0 111.011 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.473 ' HB2' ' CG2' ' A' ' 81' ' ' VAL . 21.4 m-80 -87.42 156.49 53.76 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 10.0 109.331 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 61.24 5.62 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.48 1.779 . . . . 10.0 110.947 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -147.98 -44.57 0.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 10.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.47 ' O ' ' HB2' ' A' ' 69' ' ' ARG . 57.0 p -64.09 -17.62 63.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 10.0 109.975 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.47 ' HB2' ' O ' ' A' ' 68' ' ' SER . 83.4 mtt180 68.13 -62.88 0.35 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.504 1.128 . . . . 10.0 110.276 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 68' ' ' SER . 16.4 mttt -155.0 171.7 19.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.575 1.172 . . . . 10.0 109.317 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.597 ' CE1' ' OD2' ' A' ' 124' ' ' ASP . 0.0 OUTLIER -58.13 173.29 0.36 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 10.0 109.573 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 177.1 -149.0 9.2 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.502 1.126 . . . . 10.0 110.991 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -101.92 -120.99 4.78 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.009 -0.836 . . . . 10.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -67.91 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.519 1.8 . . . . 10.0 111.002 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 177.76 70.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 10.0 109.315 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -142.81 -49.5 0.34 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 10.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.404 ' O ' ' CB ' ' A' ' 78' ' ' GLU . 3.0 tt0 -99.91 -1.19 37.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 10.0 110.268 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.404 ' CB ' ' O ' ' A' ' 77' ' ' GLU . 1.0 OUTLIER 166.99 -174.83 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.454 1.096 . . . . 10.0 110.305 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.4 mtt-85 58.53 69.84 0.7 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 10.0 110.323 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -111.53 12.91 21.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 10.0 109.581 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.473 ' CG2' ' HB2' ' A' ' 65' ' ' ASN . 1.4 p -102.51 -46.12 10.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 10.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.438 ' N ' ' CG1' ' A' ' 81' ' ' VAL . . . -109.97 -39.23 1.58 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.458 1.099 . . . . 10.0 110.99 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.444 ' O ' ' CB ' ' A' ' 84' ' ' LEU . 4.2 m-20 62.68 -160.23 0.31 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 0.769 . . . . 10.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.444 ' CB ' ' O ' ' A' ' 83' ' ' ASP . 0.9 OUTLIER 83.42 -63.72 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.44 1.088 . . . . 10.0 109.321 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 110.06 -124.98 7.35 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.492 1.12 . . . . 10.0 110.994 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -100.46 174.24 6.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 0.781 . . . . 10.0 109.342 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.569 HG21 ' CE1' ' A' ' 46' ' ' HIS . 2.2 t -116.61 158.81 16.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 10.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 12.3 m -121.42 146.42 46.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 10.0 110.416 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.475 ' HB3' ' CA ' ' A' ' 93' ' ' GLY . . . -100.55 174.8 5.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 10.0 109.338 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.453 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 7.9 t0 -80.06 -96.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 10.0 109.325 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.453 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 51.4 pttt -137.3 12.08 3.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 10.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -159.58 28.17 0.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 10.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.475 ' CA ' ' HB3' ' A' ' 89' ' ' ALA . . . 93.13 -40.77 2.77 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.502 1.126 . . . . 10.0 111.007 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.539 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 46.9 t -39.88 112.23 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.477 0.751 . . . . 10.0 109.337 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -112.74 117.16 31.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 10.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -102.67 149.26 24.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 10.0 109.302 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.47 ' CG1' HD11 ' A' ' 99' ' ' ILE . 18.4 t -131.08 156.13 42.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 10.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.412 ' N ' HG12 ' A' ' 97' ' ' VAL . 12.9 t -174.0 96.11 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 10.0 109.978 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.47 HD11 ' CG1' ' A' ' 97' ' ' VAL . 2.0 mp -131.57 165.83 30.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 10.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -130.24 90.8 3.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 10.0 110.29 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -96.87 125.86 41.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 10.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.86 -29.31 11.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 10.0 109.956 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 60.0 t -57.79 -50.42 77.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 10.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.477 ' C ' ' CD1' ' A' ' 104' ' ' ILE . 1.8 pp -77.29 169.18 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 10.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.42 ' N ' HD11 ' A' ' 104' ' ' ILE . 0.2 OUTLIER 175.18 170.29 0.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 10.0 109.993 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.26 54.03 2.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 10.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -107.57 167.62 9.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 10.0 110.048 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -79.69 52.93 4.24 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.483 1.115 . . . . 10.0 110.984 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -169.6 -51.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 0.782 . . . . 10.0 109.284 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . 0.403 ' O ' ' C ' ' A' ' 111' ' ' SER . 6.0 m80 -110.89 24.35 13.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 10.0 109.557 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 110' ' ' HIS . 54.9 p -38.97 136.57 0.77 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 10.0 110.014 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.445 ' CG2' ' HB ' ' A' ' 104' ' ' ILE . 28.5 pt -104.29 -34.48 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 10.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 8.2 mt -44.77 123.25 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 10.0 109.331 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 115.69 6.04 17.59 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.507 1.13 . . . . 10.0 111.053 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.407 ' O ' ' CD1' ' A' ' 149' ' ' ILE . 2.2 mtt180 -96.04 71.32 2.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 0.797 . . . . 10.0 110.319 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.554 ' HG1' ' N ' ' A' ' 147' ' ' GLY . 2.0 t -61.93 141.95 57.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 10.0 110.395 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -88.17 79.44 7.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.128 . . . . 10.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.461 ' CG1' ' HB3' ' A' ' 143' ' ' ARG . 2.6 t -78.21 144.44 11.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 10.0 109.314 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 33.9 m -141.45 130.79 24.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 10.0 109.312 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.49 ' CG ' ' HA3' ' A' ' 44' ' ' GLY . 8.6 m170 -84.94 157.36 20.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 10.0 109.586 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.4 ' HG3' ' CD1' ' A' ' 144' ' ' LEU . 3.5 tt0 -49.98 -45.07 51.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 10.0 110.311 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -149.04 156.91 42.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.15 . . . . 10.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -63.82 -165.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 10.0 109.279 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.597 ' OD2' ' CE1' ' A' ' 71' ' ' HIS . 3.5 t0 -111.08 -83.43 0.57 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 10.0 109.345 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . 0.517 ' CB ' ' O ' ' A' ' 124' ' ' ASP . 3.0 m-20 154.4 44.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 10.0 109.273 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 54.1 mt 42.1 27.66 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 10.0 109.293 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . 0.441 ' N ' ' C ' ' A' ' 125' ' ' ASP . . . 103.16 126.25 5.82 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.541 1.15 . . . . 10.0 110.99 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 4.2 pttt -102.88 -26.99 12.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 0.794 . . . . 10.0 109.328 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 120.5 -51.48 0.77 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.518 1.136 . . . . 10.0 110.984 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -50.56 -178.58 0.02 OUTLIER Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.992 -0.843 . . . . 10.0 110.992 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . 0.492 ' O ' ' CB ' ' A' ' 132' ' ' GLU . 39.3 m-20 -149.18 147.4 28.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 0.751 . . . . 10.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . 0.492 ' CB ' ' O ' ' A' ' 131' ' ' ASN . 16.3 tt0 85.07 30.38 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 10.0 110.29 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -164.89 -54.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 10.0 110.239 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' SER . . . . . 0.466 ' O ' ' CG ' ' A' ' 71' ' ' HIS . 2.0 p -93.25 -23.51 18.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 10.0 109.969 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 56.1 p -78.43 -10.09 59.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 10.0 110.416 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -110.9 -37.82 5.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 10.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 58.5 p -130.78 -98.58 0.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 10.0 110.433 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . 0.447 ' C ' ' N ' ' A' ' 140' ' ' ALA . . . -167.55 29.51 0.17 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.469 1.105 . . . . 10.0 111.027 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . 0.433 ' O ' ' ND2' ' A' ' 139' ' ' ASN . 30.9 t30 39.18 31.4 0.05 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 0.799 . . . . 10.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.447 ' N ' ' C ' ' A' ' 138' ' ' GLY . . . -128.55 -56.66 1.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 10.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -154.87 -126.19 1.01 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.478 1.111 . . . . 10.0 111.027 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 30.5 t 177.08 172.66 0.48 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 0.768 . . . . 10.0 109.989 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . 0.461 ' HB3' ' CG1' ' A' ' 118' ' ' VAL . 0.0 OUTLIER -39.13 133.64 1.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 10.0 110.285 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.482 ' CD2' ' HB2' ' A' ' 11' ' ' ASP . 20.5 mt -145.29 33.24 1.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 10.0 109.267 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . 0.477 ' CB ' HD13 ' A' ' 8' ' ' LEU . . . -173.87 159.41 3.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 10.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 3.5 m -155.58 66.31 0.62 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 10.0 108.27 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . 0.554 ' N ' ' HG1' ' A' ' 116' ' ' THR . . . -75.55 63.52 2.64 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.518 1.136 . . . . 10.0 111.055 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . 0.505 ' CG2' ' HB ' ' A' ' 116' ' ' THR . 28.0 t -54.02 130.58 15.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.475 0.75 . . . . 10.0 109.283 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' ILE . . . . . 0.582 HG12 ' CE1' ' A' ' 20' ' ' PHE . 1.8 mp -90.86 106.02 17.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 10.0 109.257 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -125.86 156.71 19.62 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.518 1.136 . . . . 10.0 111.026 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . 0.604 ' CD1' ' CG2' ' A' ' 2' ' ' THR . 6.9 mm -42.91 150.68 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 0.778 . . . . 10.0 109.263 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . 0.539 ' CB ' ' CG2' ' A' ' 5' ' ' VAL . . . -154.57 163.61 39.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 10.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 10.0 110.273 -179.964 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.292 -0.632 . . . . 10.0 109.292 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.458 ' CG2' HD13 ' A' ' 151' ' ' ILE . 1.9 m -92.3 103.21 15.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 10.0 110.38 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -86.48 145.7 26.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 10.0 109.323 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 20' ' ' PHE . . . -128.28 167.3 17.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 10.0 109.253 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.9 t -139.84 153.13 22.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 10.0 109.351 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.442 ' CB ' HD11 ' A' ' 149' ' ' ILE . . . -155.8 83.85 1.02 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 10.0 109.28 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.471 ' CG2' ' O ' ' A' ' 7' ' ' VAL . 5.1 m -85.34 104.6 13.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 10.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.458 ' HA ' ' CA ' ' A' ' 147' ' ' GLY . 2.0 mt -49.75 131.76 21.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 10.0 109.331 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.418 ' N ' ' HB3' ' A' ' 145' ' ' ALA . 2.2 ttmt -164.85 110.24 0.95 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 10.0 109.312 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -172.02 -79.26 0.05 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.477 1.111 . . . . 10.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -43.61 -57.69 3.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 0.746 . . . . 10.0 109.29 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 153.42 -64.97 0.34 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.533 1.146 . . . . 10.0 110.983 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.446 ' O ' ' N ' ' A' ' 15' ' ' GLN . 18.4 Cg_endo -75.02 -45.46 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.551 1.816 . . . . 10.0 111.004 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.416 ' CG1' ' HB2' ' A' ' 145' ' ' ALA . 94.3 t -55.72 89.34 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 10.0 109.258 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 13' ' ' PRO . 1.3 tt0 -117.5 44.03 2.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 10.0 110.315 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.442 ' HA3' ' HA ' ' A' ' 35' ' ' ILE . . . -58.17 162.77 9.51 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.474 1.109 . . . . 10.0 110.979 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 49.4 mt -137.75 95.43 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.537 0.787 . . . . 10.0 109.274 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.445 ' HA ' ' CA ' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -111.05 154.04 12.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 10.0 109.312 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -135.81 173.07 12.12 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 10.0 109.342 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.574 ' CE2' HD13 ' A' ' 112' ' ' ILE . 2.5 m-85 -140.58 114.56 9.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 10.0 110.989 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 30' ' ' LYS . 21.9 tt0 -116.9 143.09 46.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 10.0 110.271 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -138.94 93.78 2.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 10.0 110.294 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.47 52.99 2.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 10.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.512 ' O ' ' CB ' ' A' ' 25' ' ' SER . 1.0 OUTLIER -153.96 -45.78 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.155 . . . . 10.0 110.325 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.512 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 1.0 OUTLIER 85.74 -13.38 0.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 10.0 110.004 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -157.48 25.36 0.29 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 10.0 109.306 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -127.05 -146.77 6.55 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.537 1.148 . . . . 10.0 110.957 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 156.37 43.15 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.48 1.779 . . . . 10.0 110.977 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.445 HG11 ' CD2' ' A' ' 20' ' ' PHE . 93.7 t -115.02 119.88 63.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 10.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 21' ' ' GLU . 3.6 mttt -74.41 94.84 2.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.581 1.176 . . . . 10.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.54 HG12 ' CZ ' ' A' ' 20' ' ' PHE . 25.5 t -89.87 133.88 30.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 10.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 1.4 p90 -165.36 140.6 5.12 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 10.0 108.025 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.445 ' CA ' ' HA ' ' A' ' 18' ' ' ILE . . . -160.76 -166.85 20.33 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.487 1.117 . . . . 10.0 110.993 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.8 m -157.72 120.71 3.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 0.764 . . . . 10.0 110.053 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.469 ' CG2' HD11 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -84.58 166.04 2.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 10.0 109.308 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.451 ' N ' ' CG2' ' A' ' 35' ' ' ILE . 4.1 mttm -156.51 107.82 2.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 10.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.443 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 146.44 -51.79 0.58 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.465 1.103 . . . . 10.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.551 ' HB3' ' CE1' ' A' ' 43' ' ' HIS . 3.1 mp -55.59 -163.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 0.783 . . . . 10.0 109.257 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.41 ' O ' ' C ' ' A' ' 40' ' ' GLU . 42.6 p -145.2 150.51 36.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 10.0 110.42 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.452 ' HA ' ' CB ' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -38.0 118.69 0.71 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 10.0 110.311 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 153.05 177.96 27.15 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.476 1.11 . . . . 10.0 111.014 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.0 mp -81.59 135.12 35.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 0.749 . . . . 10.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.551 ' CE1' ' HB3' ' A' ' 38' ' ' LEU . 59.8 m-70 -111.59 169.31 8.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 10.0 109.576 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.572 ' HA3' ' CD2' ' A' ' 120' ' ' HIS . . . -74.78 179.31 44.51 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.477 1.111 . . . . 10.0 111.042 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.596 ' CD1' ' NH2' ' A' ' 79' ' ' ARG . 16.7 m-85 -85.12 153.58 22.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 0.79 . . . . 10.0 110.979 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.408 ' HB2' ' O ' ' A' ' 116' ' ' THR . 4.3 p80 -76.42 175.5 9.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 10.0 109.596 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 6.1 t 73.98 134.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 10.0 109.27 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 39.4 p-80 -142.91 164.47 30.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 10.0 109.589 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -168.03 167.87 12.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 10.0 110.289 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -167.98 -64.29 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 10.0 110.267 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -139.86 -45.37 0.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 10.0 110.27 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -102.94 174.65 5.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 10.0 109.257 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -105.42 28.35 7.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 10.0 109.25 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -143.7 -47.62 0.29 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.108 . . . . 10.0 110.425 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 71.95 -58.84 0.57 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 10.0 109.298 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 115.3 25.31 3.84 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.495 1.122 . . . . 10.0 110.994 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 46.97 76.87 0.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.286 -1.005 . . . . 10.0 108.286 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 82.8 p -127.9 -136.1 0.24 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 10.0 110.374 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 29.8 t -164.53 94.3 0.69 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 10.0 109.984 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -133.0 -71.1 0.53 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 10.0 109.288 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 175.87 136.37 2.32 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.487 1.117 . . . . 10.0 111.044 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 178.62 7.03 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.521 1.8 . . . . 10.0 110.997 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 30.6 t60 -148.4 -46.55 0.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 10.0 109.585 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 67.24 -172.9 0.19 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 10.0 111.007 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -100.62 129.38 27.81 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 10.0 109.28 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 78.2 2.96 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.485 1.782 . . . . 10.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -146.72 -52.57 0.22 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 10.0 109.327 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.41 ' O ' ' HA ' ' A' ' 78' ' ' GLU . 0.9 OUTLIER -114.34 -26.46 7.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 10.0 109.993 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.415 ' NH2' HG23 ' A' ' 137' ' ' THR . 0.0 OUTLIER -69.19 63.48 0.14 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 10.0 110.263 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt -152.84 61.21 0.79 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.1 . . . . 10.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 62.06 146.72 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.517 1.136 . . . . 10.0 109.608 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.437 ' N ' ' OE1' ' A' ' 78' ' ' GLU . . . 173.65 -104.62 0.2 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.507 1.129 . . . . 10.0 111.027 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -153.62 -127.76 1.21 Allowed Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.06 -0.816 . . . . 10.0 111.06 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -75.47 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.501 1.79 . . . . 10.0 110.961 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.07 79.88 0.69 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 10.0 109.235 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -166.46 -43.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 10.0 109.325 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -112.82 8.14 18.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 10.0 110.312 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.542 ' O ' ' C ' ' A' ' 79' ' ' ARG . 30.4 tt0 -170.42 157.42 6.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 10.0 110.271 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.596 ' NH2' ' CD1' ' A' ' 45' ' ' PHE . 4.4 ptm180 27.07 55.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 10.0 110.285 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 16.6 t60 -115.12 -10.65 12.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 10.0 109.579 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.9 p -58.99 -43.19 88.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 10.0 109.331 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.412 ' O ' ' O ' ' A' ' 83' ' ' ASP . . . -141.46 -42.0 0.07 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.509 1.13 . . . . 10.0 111.033 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.412 ' O ' ' O ' ' A' ' 82' ' ' GLY . 1.9 m-20 -48.59 176.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 0.763 . . . . 10.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -141.68 -64.19 0.44 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 10.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.505 ' HA2' ' CE2' ' A' ' 45' ' ' PHE . . . -176.99 -169.4 38.19 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.556 1.16 . . . . 10.0 110.97 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.591 ' OD1' ' CE1' ' A' ' 45' ' ' PHE . 1.7 m-20 -84.95 123.79 30.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 0.788 . . . . 10.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.462 ' CG2' ' HB2' ' A' ' 43' ' ' HIS . 12.4 m -97.49 118.48 44.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 10.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 15.0 m -96.15 154.96 16.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 10.0 110.402 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.468 ' CB ' ' HA2' ' A' ' 93' ' ' GLY . . . -85.28 168.05 15.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 10.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.453 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 12.0 t0 -77.74 -96.86 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.496 1.123 . . . . 10.0 109.253 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.453 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 1.7 ptpt -134.71 8.87 3.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 10.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -159.45 26.74 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.571 1.17 . . . . 10.0 109.269 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.468 ' HA2' ' CB ' ' A' ' 89' ' ' ALA . . . 98.31 -44.62 1.75 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.506 1.129 . . . . 10.0 110.978 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.444 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 21.6 t -39.6 99.44 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.47 0.747 . . . . 10.0 109.296 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 93' ' ' GLY . . . -101.15 118.1 36.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 10.0 109.262 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -109.62 150.25 28.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 10.0 109.319 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.494 ' CG1' HD12 ' A' ' 99' ' ' ILE . 24.7 t -123.24 163.93 21.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 10.0 109.261 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 79.7 p -177.4 82.94 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 10.0 110.024 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.494 HD12 ' CG1' ' A' ' 97' ' ' VAL . 2.3 mp -134.98 168.06 24.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 10.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -129.76 95.89 4.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 10.0 110.279 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -85.72 118.25 25.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 10.0 109.262 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 21.6 t -102.05 61.91 0.88 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 10.0 110.033 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 50.4 t -153.41 -70.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 10.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.484 ' C ' ' CD1' ' A' ' 104' ' ' ILE . 1.9 pp -51.24 -179.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.158 . . . . 10.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.412 ' CB ' ' HB2' ' A' ' 109' ' ' ASP . 0.1 OUTLIER -167.43 153.86 8.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 10.0 109.987 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.456 ' CD1' HD12 ' A' ' 112' ' ' ILE . 3.5 mm? -62.26 -47.07 85.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 10.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 39.0 m -155.92 151.69 27.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 10.0 109.993 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 72.48 57.32 5.58 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.469 1.105 . . . . 10.0 110.973 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.412 ' HB2' ' CB ' ' A' ' 105' ' ' SER . 4.6 m-20 173.86 -92.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 0.737 . . . . 10.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . 0.517 ' CE1' HG22 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -117.37 -17.78 10.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 10.0 109.596 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.411 ' O ' ' O ' ' A' ' 110' ' ' HIS . 36.3 t 57.49 111.96 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.514 1.134 . . . . 10.0 110.034 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.574 HD13 ' CE2' ' A' ' 20' ' ' PHE . 6.9 pt -96.97 -37.29 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 10.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 5.0 mt -40.29 118.11 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 10.0 109.331 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 114.73 -7.28 22.14 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.498 1.124 . . . . 10.0 111.035 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.29 87.42 6.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 0.748 . . . . 10.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.5 ' HB ' ' CG2' ' A' ' 148' ' ' VAL . 0.3 OUTLIER -70.86 144.56 50.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 10.0 110.374 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.27 70.07 10.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 10.0 109.312 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 14.2 t -82.23 172.63 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 10.0 109.317 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.449 ' CG1' HG22 ' A' ' 87' ' ' VAL . 2.7 m -148.51 139.31 17.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 10.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.572 ' CD2' ' HA3' ' A' ' 44' ' ' GLY . 8.3 m-70 -84.59 160.08 20.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 10.0 109.593 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -88.11 63.81 7.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 10.0 110.278 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.472 ' HB2' ' CB ' ' A' ' 140' ' ' ALA . 0.0 OUTLIER 171.5 169.89 0.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 10.0 109.31 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -70.02 -165.69 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 10.0 109.305 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.498 ' OD2' ' CD1' ' A' ' 45' ' ' PHE . 8.2 m-20 -142.02 97.0 3.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.103 . . . . 10.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . 0.433 ' O ' ' N ' ' A' ' 127' ' ' GLY . 6.5 m-20 -132.75 104.83 6.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 10.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 3.3 mt -69.58 54.25 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.142 . . . . 10.0 109.301 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 125' ' ' ASP . . . 171.96 77.72 0.05 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.471 1.107 . . . . 10.0 111.052 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 6.6 mttm -108.42 30.55 6.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 0.742 . . . . 10.0 109.308 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 84.25 -49.84 4.3 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.485 1.116 . . . . 10.0 110.982 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -65.36 -176.14 5.68 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.001 -0.84 . . . . 10.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -147.81 142.62 26.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 0.772 . . . . 10.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 73.65 27.67 1.74 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.098 . . . . 10.0 110.296 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.82 -60.99 0.5 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 10.0 110.32 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 49.5 p -90.4 -29.33 18.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 10.0 110.026 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 43.5 p -58.36 -16.43 14.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 10.0 110.387 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.5 -36.36 5.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 10.0 109.292 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' THR . . . . . 0.427 ' OG1' ' N ' ' A' ' 138' ' ' GLY . 80.6 p -130.32 -101.86 0.3 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 10.0 110.399 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . 0.427 ' N ' ' OG1' ' A' ' 137' ' ' THR . . . -169.06 30.28 0.16 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.538 1.149 . . . . 10.0 111.019 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 48.06 59.92 3.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 0.757 . . . . 10.0 109.335 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.472 ' CB ' ' HB2' ' A' ' 122' ' ' LYS . . . -163.5 -62.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 10.0 109.352 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 140' ' ' ALA . . . 36.33 92.06 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.505 1.128 . . . . 10.0 110.96 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -149.81 70.93 1.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 0.745 . . . . 10.0 109.984 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 1.1 ptt-85 -47.13 157.12 0.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 10.0 110.311 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 62.6 mt -124.11 -86.56 0.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 10.0 109.313 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . 0.418 ' HB3' ' N ' ' A' ' 9' ' ' LYS . . . -95.84 174.47 6.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.42 1.075 . . . . 10.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' CYS . . . . . 0.412 ' HA ' ' OG1' ' A' ' 116' ' ' THR . 26.9 p -150.21 70.69 1.04 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 10.0 108.276 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . 0.458 ' CA ' ' HA ' ' A' ' 8' ' ' LEU . . . -48.89 -48.85 29.99 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.499 1.125 . . . . 10.0 110.988 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . 0.5 ' CG2' ' HB ' ' A' ' 116' ' ' THR . 53.1 t 66.09 125.56 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.486 0.756 . . . . 10.0 109.256 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' ILE . . . . . 0.553 HD12 ' CD1' ' A' ' 20' ' ' PHE . 24.0 mm -71.86 137.44 23.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 10.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -153.04 117.43 0.81 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.548 1.155 . . . . 10.0 110.996 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . 0.458 HD13 ' CG2' ' A' ' 2' ' ' THR . 19.1 mm -47.52 137.24 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 0.757 . . . . 10.0 109.312 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . 0.415 ' N ' HG23 ' A' ' 151' ' ' ILE . . . -127.7 175.02 8.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 10.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 10.0 110.314 179.978 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' A' ' 22' ' ' GLN . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.297 -0.631 . . . . 10.0 109.297 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.495 ' CG2' HD11 ' A' ' 151' ' ' ILE . 28.4 m -89.14 154.53 20.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 10.0 110.381 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.495 ' O ' ' CB ' ' A' ' 152' ' ' ALA . 1.0 OUTLIER -106.84 109.15 20.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 10.0 109.309 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.448 ' CB ' ' HB2' ' A' ' 20' ' ' PHE . . . -84.3 167.27 16.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 10.0 109.29 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -149.13 143.85 18.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 10.0 109.294 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.471 ' CB ' ' CG1' ' A' ' 18' ' ' ILE . . . -136.81 107.33 6.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 10.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.4 p -82.04 88.55 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 10.0 109.297 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.464 HD13 ' CB ' ' A' ' 145' ' ' ALA . 0.4 OUTLIER -44.3 144.87 0.9 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 10.0 109.267 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 179.78 120.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 10.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -165.1 -98.64 0.13 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.455 1.097 . . . . 10.0 111.014 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -42.56 -62.11 1.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 0.743 . . . . 10.0 109.306 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.48 ' N ' ' CD ' ' A' ' 13' ' ' PRO . . . 162.26 -52.1 0.32 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.498 1.124 . . . . 10.0 111.03 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.48 ' CD ' ' N ' ' A' ' 12' ' ' GLY . 18.2 Cg_endo -75.02 -40.9 0.75 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.479 1.779 . . . . 10.0 110.998 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.546 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 36.8 t -61.21 82.44 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 10.0 109.266 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 13' ' ' PRO . 0.1 OUTLIER -121.84 60.87 0.96 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.164 . . . . 10.0 110.302 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.458 ' C ' HG13 ' A' ' 17' ' ' ILE . . . -94.01 -178.45 39.03 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.481 1.113 . . . . 10.0 110.981 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.458 HG13 ' C ' ' A' ' 16' ' ' GLY . 65.5 mt -143.48 117.29 3.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.533 0.784 . . . . 10.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.687 ' CD1' ' CD1' ' A' ' 20' ' ' PHE . 0.6 OUTLIER -96.96 160.93 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 10.0 109.324 179.934 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.55 ' OD1' ' CD2' ' A' ' 32' ' ' TRP . 0.0 OUTLIER -146.26 116.6 7.47 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.094 . . . . 10.0 109.305 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.687 ' CD1' ' CD1' ' A' ' 18' ' ' ILE . 4.4 m-30 -105.97 97.0 6.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.429 1.081 . . . . 10.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.408 ' C ' ' OE1' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -108.91 130.04 55.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 10.0 110.273 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.487 ' O ' ' N ' ' A' ' 1' ' ' ALA . 1.8 tt0 -122.11 59.23 1.01 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 10.0 110.278 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.8 mttt -70.83 65.89 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.091 . . . . 10.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.409 ' O ' ' N ' ' A' ' 26' ' ' ASN . 0.6 OUTLIER -150.8 155.9 40.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 10.0 110.283 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.429 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 4.4 m -69.56 57.87 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 10.0 109.989 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.429 ' CB ' ' O ' ' A' ' 25' ' ' SER . 0.7 OUTLIER 77.61 29.5 0.52 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 10.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -86.9 -145.55 9.39 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.474 1.109 . . . . 10.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.424 ' HB3' ' CA ' ' A' ' 102' ' ' SER . 18.2 Cg_endo -74.99 164.44 33.37 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.466 1.771 . . . . 10.0 110.986 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.457 ' CG2' HD13 ' A' ' 104' ' ' ILE . 93.5 t -103.48 123.33 56.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 10.0 109.366 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.4 mttt -78.97 88.76 4.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 10.0 109.311 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.59 HG22 ' CE1' ' A' ' 20' ' ' PHE . 46.2 t -86.4 128.21 39.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 10.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.55 ' CD2' ' OD1' ' A' ' 19' ' ' ASN . 0.0 OUTLIER -158.51 165.28 34.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 10.0 107.967 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.53 ' N ' ' CD1' ' A' ' 32' ' ' TRP . . . 162.45 -161.22 33.44 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.51 1.131 . . . . 10.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.418 ' O ' ' HA3' ' A' ' 16' ' ' GLY . 79.8 p -155.54 125.35 6.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 0.763 . . . . 10.0 109.987 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.449 HG22 ' CD2' ' A' ' 38' ' ' LEU . 10.1 mt -111.41 109.85 30.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 10.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -112.49 114.84 27.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 10.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.77 -27.86 0.2 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.507 1.13 . . . . 10.0 111.007 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.617 ' CD1' ' N ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -84.89 -161.64 0.6 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 0.761 . . . . 10.0 109.284 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 46.5 p -125.41 156.58 38.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 10.0 110.382 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.41 ' HA ' ' CB ' ' A' ' 89' ' ' ALA . 2.4 tm-20 -58.12 143.78 42.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 10.0 110.267 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 128.93 176.31 14.39 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.476 1.11 . . . . 10.0 110.991 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.5 mp -55.05 159.94 2.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 0.774 . . . . 10.0 109.33 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.59 ' CG ' ' ND1' ' A' ' 120' ' ' HIS . 2.6 m-70 -155.37 164.85 38.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 10.0 109.577 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -82.65 -133.16 1.86 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.471 1.107 . . . . 10.0 110.966 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.447 ' CE2' ' CG1' ' A' ' 87' ' ' VAL . 0.2 OUTLIER -166.26 154.11 10.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 0.772 . . . . 10.0 111.002 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -50.99 174.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 10.0 109.584 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 1.3 t 61.0 88.83 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 10.0 109.276 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 53.9 p-80 -177.42 75.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 10.0 109.541 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.401 ' O ' ' CE2' ' A' ' 64' ' ' PHE . 1.6 pm0 -93.59 95.85 9.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 10.0 110.314 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.23 -72.2 0.36 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 10.0 110.306 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -146.02 -170.69 3.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 10.0 110.295 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 70.68 115.01 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 10.0 109.346 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -99.77 47.63 0.95 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 10.0 109.292 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -112.16 119.07 37.12 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.496 1.123 . . . . 10.0 110.363 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 169.69 116.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 10.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -100.03 66.28 0.58 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.511 1.132 . . . . 10.0 110.945 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 1.446 ' SG ' ' SG ' ' A' ' 146' ' ' CYS . 66.4 m -126.59 -56.91 1.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.26 -1.015 . . . . 10.0 108.26 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 51.5 p -142.5 -62.91 0.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 10.0 110.36 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 59.82 104.96 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 10.0 110.008 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -130.34 -66.01 0.79 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.122 . . . . 10.0 109.307 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -168.3 84.99 0.09 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.481 1.113 . . . . 10.0 111.013 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 103.1 1.67 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.501 1.79 . . . . 10.0 111.025 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -154.23 36.69 0.43 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 10.0 109.618 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.401 ' CE2' ' O ' ' A' ' 49' ' ' GLU . 99.0 m-85 54.38 -176.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 10.0 111.017 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -114.95 129.39 25.09 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.435 1.084 . . . . 10.0 109.325 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 81.25 2.25 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.525 1.802 . . . . 10.0 111.012 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.473 ' HB3' ' CG2' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -179.59 -44.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 10.0 109.308 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.1 p -52.16 -24.89 7.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 10.0 110.013 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 72.77 -65.07 0.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 10.0 110.292 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 17.1 pttt -177.32 -160.09 0.05 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 10.0 109.329 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 8.2 t-160 -49.0 99.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 10.0 109.616 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -66.74 142.67 42.42 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.571 1.17 . . . . 10.0 111.018 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 120.75 -121.78 4.97 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 111.001 -0.84 . . . . 10.0 111.001 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.514 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 18.4 Cg_endo -75.02 51.53 2.82 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.522 1.801 . . . . 10.0 111.013 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.514 ' CB ' ' O ' ' A' ' 74' ' ' PRO . 0.3 OUTLIER 163.33 42.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 10.0 109.282 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.513 ' CB ' ' O ' ' A' ' 75' ' ' LYS . 0.8 OUTLIER 154.26 127.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 10.0 109.294 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.446 ' O ' ' CG ' ' A' ' 77' ' ' GLU . 0.3 OUTLIER -103.29 1.67 33.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 10.0 110.255 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.485 ' O ' ' CG ' ' A' ' 79' ' ' ARG . 2.9 mp0 -84.1 -94.87 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 10.0 110.277 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.485 ' CG ' ' O ' ' A' ' 78' ' ' GLU . 12.0 ptt85 45.17 -167.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 10.0 110.284 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.409 ' CB ' ' O ' ' A' ' 79' ' ' ARG . 3.3 t60 81.07 2.48 1.64 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 10.0 109.568 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.473 ' CG2' ' HB3' ' A' ' 67' ' ' LEU . 8.6 t -115.24 -9.2 12.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 10.0 109.336 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -169.49 -68.77 0.04 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.493 1.121 . . . . 10.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.73 156.14 23.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 0.797 . . . . 10.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -137.4 -73.58 0.42 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 10.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -163.49 -116.56 0.38 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.48 1.113 . . . . 10.0 110.999 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 43' ' ' HIS . 2.3 m120 -151.09 148.39 28.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 0.738 . . . . 10.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.447 ' CG1' ' CE2' ' A' ' 45' ' ' PHE . 7.5 m -111.17 -170.56 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.104 . . . . 10.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 3.1 m -155.51 145.24 21.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 10.0 110.44 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.413 ' CB ' ' HA2' ' A' ' 93' ' ' GLY . . . -85.6 173.42 10.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 10.0 109.337 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.457 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 11.0 t0 -85.86 -96.13 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 10.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.457 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 0.1 OUTLIER -137.83 11.67 2.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 10.0 109.298 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -156.04 24.2 0.37 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 10.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.513 ' O ' ' CD2' ' A' ' 38' ' ' LEU . . . 88.28 -29.91 5.43 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.493 1.121 . . . . 10.0 111.019 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.419 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 16.9 t -44.3 94.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.562 0.801 . . . . 10.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.489 ' N ' ' O ' ' A' ' 93' ' ' GLY . . . -99.83 114.53 27.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 10.0 109.258 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -91.16 148.36 22.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.138 . . . . 10.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.407 HG12 ' N ' ' A' ' 98' ' ' SER . 22.0 t -118.44 153.97 20.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 10.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.407 ' N ' HG12 ' A' ' 97' ' ' VAL . 65.9 p -176.26 89.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 10.0 110.031 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.1 mt -142.58 172.86 7.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 10.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -133.34 102.93 5.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 10.0 110.254 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -84.96 102.73 13.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 10.0 109.306 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.502 ' O ' ' CG2' ' A' ' 103' ' ' VAL . 53.5 p -88.9 63.02 6.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 10.0 109.989 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.502 ' CG2' ' O ' ' A' ' 102' ' ' SER . 47.7 t -158.92 -65.05 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 10.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.52 ' C ' ' CD1' ' A' ' 104' ' ' ILE . 1.5 pp -78.1 168.17 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 10.0 109.328 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 48.5 m -161.52 161.68 30.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 10.0 109.964 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.1 mt -61.46 -39.21 90.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 10.0 109.271 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 79.9 p -129.75 -171.37 2.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 10.0 110.042 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 93.41 -140.56 15.12 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.482 1.114 . . . . 10.0 111.01 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -98.69 28.03 4.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 0.749 . . . . 10.0 109.32 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . 0.43 ' CE1' ' O ' ' A' ' 103' ' ' VAL . 72.7 m80 -125.07 -70.13 0.76 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 10.0 109.598 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 10.6 p 60.8 94.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 10.0 110.022 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.454 ' CG2' ' HB ' ' A' ' 104' ' ' ILE . 10.4 pt -90.48 -14.22 8.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 10.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 34.4 mm -50.78 109.12 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 10.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 112.34 34.4 1.95 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.534 1.146 . . . . 10.0 111.048 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.426 ' CG ' ' O ' ' A' ' 112' ' ' ILE . 4.8 mmm180 -111.74 82.16 1.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 0.772 . . . . 10.0 110.3 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 3.0 m -41.46 111.83 0.26 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 10.0 110.388 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -76.97 85.89 3.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 10.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.47 ' CG1' ' HA ' ' A' ' 143' ' ' ARG . 17.2 t -79.64 156.76 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 10.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.535 HG11 ' CE1' ' A' ' 120' ' ' HIS . 21.9 t -97.74 -121.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 10.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.59 ' ND1' ' CG ' ' A' ' 43' ' ' HIS . 0.0 OUTLIER -155.96 124.65 5.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 10.0 109.635 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.474 ' HB2' ' CB ' ' A' ' 142' ' ' SER . 0.8 OUTLIER -66.1 -18.88 65.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 10.0 110.26 -179.935 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -179.1 -171.87 0.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 10.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -91.19 122.05 33.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 10.0 109.286 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -67.58 -10.77 54.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 10.0 109.311 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 53.15 32.39 13.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 10.0 109.287 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 15.8 mt 55.36 19.19 2.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 10.0 109.333 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 97.32 127.35 5.62 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.524 1.14 . . . . 10.0 110.994 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 5.2 mttp -72.01 -71.96 0.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 0.773 . . . . 10.0 109.31 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -144.92 29.84 1.82 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.47 1.107 . . . . 10.0 110.979 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 64.21 107.14 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 N-CA-C 111.021 -0.832 . . . . 10.0 111.021 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . 0.565 ' O ' ' N ' ' A' ' 135' ' ' THR . 0.3 OUTLIER -144.49 153.39 41.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 0.755 . . . . 10.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 131' ' ' ASN . 4.0 mt-10 -38.1 -28.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 10.0 110.324 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . 0.48 ' N ' ' O ' ' A' ' 131' ' ' ASN . 0.0 OUTLIER -89.94 -46.76 8.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 10.0 110.312 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' SER . . . . . 0.461 ' O ' ' N ' ' A' ' 136' ' ' LYS . 0.1 OUTLIER -70.31 -49.43 49.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 10.0 109.999 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' THR . . . . . 0.565 ' N ' ' O ' ' A' ' 131' ' ' ASN . 23.1 p -37.04 -31.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 10.0 110.399 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 134' ' ' SER . 0.0 OUTLIER -106.77 -39.17 5.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 10.0 109.281 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' THR . . . . . 0.475 ' OG1' ' N ' ' A' ' 138' ' ' GLY . 33.7 p -129.46 -116.5 0.24 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 10.0 110.389 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . 0.475 ' N ' ' OG1' ' A' ' 137' ' ' THR . . . -165.35 46.04 0.28 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.537 1.148 . . . . 10.0 111.021 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 50.4 33.14 7.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 0.798 . . . . 10.0 109.282 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -151.78 26.22 0.65 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 10.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -80.37 94.48 1.5 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.516 1.135 . . . . 10.0 110.945 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' SER . . . . . 0.474 ' CB ' ' HB2' ' A' ' 121' ' ' GLU . 0.3 OUTLIER -150.16 146.07 26.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 0.762 . . . . 10.0 109.997 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . 0.47 ' HA ' ' CG1' ' A' ' 118' ' ' VAL . 3.7 mtp85 -94.24 135.57 35.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 10.0 110.295 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 12.6 mt -129.03 12.37 6.14 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.459 1.099 . . . . 10.0 109.306 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . 0.464 ' CB ' HD13 ' A' ' 8' ' ' LEU . . . -166.38 161.38 16.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 10.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' CYS . . . . . 1.446 ' SG ' ' SG ' ' A' ' 57' ' ' CYS . 21.5 p -153.89 65.48 0.72 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 10.0 108.313 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -59.99 -41.59 97.98 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.53 1.144 . . . . 10.0 110.985 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . 0.421 HG13 ' N ' ' A' ' 149' ' ' ILE . 3.1 t 63.56 145.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.523 0.778 . . . . 10.0 109.254 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' ILE . . . . . 0.424 HD13 ' CD2' ' A' ' 20' ' ' PHE . 47.3 mm -84.54 127.41 39.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.11 . . . . 10.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -135.39 111.17 0.88 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.461 1.101 . . . . 10.0 111.054 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . 0.495 HD11 ' CG2' ' A' ' 2' ' ' THR . 11.5 mm -41.22 132.75 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.522 0.778 . . . . 10.0 109.359 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 3' ' ' LYS . . . -90.94 170.41 10.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 10.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 10.0 110.313 179.998 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 22' ' ' GLN . . . . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.291 -0.633 . . . . 10.0 109.291 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.473 HG22 ' CD1' ' A' ' 151' ' ' ILE . 1.3 m -85.95 110.32 19.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 10.0 110.376 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -97.51 110.13 22.75 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.131 . . . . 10.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.489 ' HB1' ' CG2' ' A' ' 149' ' ' ILE . . . -88.95 157.69 18.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 10.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.477 HG22 ' CB ' ' A' ' 152' ' ' ALA . 3.8 t -130.95 153.42 39.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 10.0 109.262 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.41 ' N ' ' O ' ' A' ' 18' ' ' ILE . . . -155.66 89.71 1.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 10.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.6 m -83.82 109.21 17.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.42 1.075 . . . . 10.0 109.31 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.486 ' HB2' ' N ' ' A' ' 16' ' ' GLY . 0.7 OUTLIER -55.17 144.0 25.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 10.0 109.272 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -171.95 142.47 1.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 10.0 109.292 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 11' ' ' ASP . . . 168.79 -95.77 0.11 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.527 1.142 . . . . 10.0 111.002 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 10' ' ' GLY . 39.9 t0 -40.28 -49.96 2.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 0.767 . . . . 10.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.442 ' N ' ' CD ' ' A' ' 13' ' ' PRO . . . 142.64 -53.7 0.61 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.478 1.111 . . . . 10.0 111.061 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.442 ' CD ' ' N ' ' A' ' 12' ' ' GLY . 18.5 Cg_endo -75.01 -21.86 15.4 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.525 1.802 . . . . 10.0 111.061 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.488 HG11 ' CB ' ' A' ' 145' ' ' ALA . 5.2 t -83.2 99.3 5.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 10.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.76 31.32 5.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 10.0 110.29 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.486 ' N ' ' HB2' ' A' ' 8' ' ' LEU . . . -42.85 162.8 0.03 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.455 1.097 . . . . 10.0 110.971 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.412 HG13 ' C ' ' A' ' 16' ' ' GLY . 65.6 mt -142.34 101.62 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.558 0.799 . . . . 10.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.464 HD11 ' CE1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -117.29 149.58 19.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 10.0 109.28 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.419 ' N ' HG12 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -132.96 162.45 31.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.11 . . . . 10.0 109.278 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.606 ' CZ ' ' CG2' ' A' ' 31' ' ' VAL . 1.8 m-85 -129.92 106.59 8.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 10.0 111.009 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -103.72 145.19 30.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 10.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 1' ' ' ALA . 20.7 tt0 -147.26 84.63 1.58 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 10.0 110.32 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.429 ' HA ' ' N ' ' A' ' 1' ' ' ALA . 11.0 mtmt -74.73 57.45 0.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 10.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.492 ' O ' ' CB ' ' A' ' 25' ' ' SER . 0.0 OUTLIER -155.96 -45.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 10.0 110.282 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 0.4 OUTLIER 84.49 -11.5 0.81 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.569 1.168 . . . . 10.0 110.04 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 33.0 p-10 -158.92 27.39 0.22 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 10.0 109.285 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -127.59 -147.47 6.63 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.507 1.13 . . . . 10.0 110.995 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.425 ' HB3' ' CA ' ' A' ' 102' ' ' SER . 18.3 Cg_endo -75.01 150.93 38.84 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.525 1.803 . . . . 10.0 111.041 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.419 HG11 ' CD2' ' A' ' 20' ' ' PHE . 60.8 t -111.68 110.32 31.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 10.0 109.332 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.2 mttm -69.53 95.55 0.84 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 10.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.606 ' CG2' ' CZ ' ' A' ' 20' ' ' PHE . 70.4 t -87.37 134.21 28.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 10.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -164.32 155.96 16.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 10.0 107.973 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 178.79 -169.84 41.47 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.529 1.143 . . . . 10.0 111.011 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 26.5 p -157.27 122.29 4.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 0.756 . . . . 10.0 109.977 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.551 HD12 ' CE2' ' A' ' 45' ' ' PHE . 0.1 OUTLIER -83.34 166.34 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 10.0 109.227 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.453 ' N ' ' CG2' ' A' ' 35' ' ' ILE . 32.7 mttt -156.28 115.14 3.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 10.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 138.79 -47.86 0.9 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.513 1.133 . . . . 10.0 110.969 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.605 ' HB3' ' CE1' ' A' ' 43' ' ' HIS . 0.4 OUTLIER -54.1 -170.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 0.791 . . . . 10.0 109.301 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 40' ' ' GLU . 36.0 p -135.89 143.77 45.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 10.0 110.416 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 39' ' ' THR . 0.0 OUTLIER -38.06 124.39 1.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 10.0 110.267 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.532 ' O ' ' CD2' ' A' ' 43' ' ' HIS . . . 147.4 169.3 14.66 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.493 1.121 . . . . 10.0 110.972 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.454 ' HB3' ' CB ' ' A' ' 123' ' ' ALA . 0.3 OUTLIER -70.19 127.55 33.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 0.747 . . . . 10.0 109.307 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.605 ' CE1' ' HB3' ' A' ' 38' ' ' LEU . 21.1 m170 -112.08 175.28 5.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 10.0 109.594 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -120.03 81.39 0.33 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.482 1.114 . . . . 10.0 111.012 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.551 ' CE2' HD12 ' A' ' 35' ' ' ILE . 9.1 m-30 -89.78 136.3 33.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 0.755 . . . . 10.0 110.969 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.541 ' CE1' ' NE2' ' A' ' 120' ' ' HIS . 15.9 p80 172.79 175.45 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 10.0 109.625 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.563 ' HB ' ' CE2' ' A' ' 64' ' ' PHE . 58.0 t -71.41 165.31 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 10.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.48 ' O ' ' CG ' ' A' ' 48' ' ' HIS . 0.1 OUTLIER -153.27 114.52 4.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 10.0 109.605 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -175.37 155.45 1.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 10.0 110.291 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.2 pm0 -112.04 -24.16 10.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 10.0 110.273 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 179.63 -157.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 10.0 110.3 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -132.12 76.69 1.72 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.125 . . . . 10.0 109.329 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -144.23 17.01 1.72 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 10.0 109.292 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.464 ' O ' ' CB ' ' A' ' 55' ' ' ALA . 1.4 t -149.74 -55.66 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 10.0 110.441 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.464 ' CB ' ' O ' ' A' ' 54' ' ' THR . . . 164.89 -92.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 10.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.438 ' O ' ' CB ' ' A' ' 57' ' ' CYS . . . 175.67 66.88 0.06 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.515 1.135 . . . . 10.0 111.025 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 1.3 ' SG ' ' SG ' ' A' ' 146' ' ' CYS . 0.4 OUTLIER 164.38 92.23 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.273 -1.01 . . . . 10.0 108.273 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 67.8 p -121.44 -139.06 0.33 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.12 . . . . 10.0 110.384 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -159.23 96.39 1.31 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 10.0 110.02 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -167.68 -76.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 10.0 109.302 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 129.34 78.91 0.22 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.501 1.126 . . . . 10.0 110.963 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -173.09 1.44 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.508 1.793 . . . . 10.0 110.996 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.415 ' O ' ' CB ' ' A' ' 64' ' ' PHE . 2.9 p80 -133.9 12.89 3.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 10.0 109.652 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.563 ' CE2' ' HB ' ' A' ' 47' ' ' VAL . 0.1 OUTLIER 70.27 -158.78 0.15 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 10.0 110.968 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 21.1 p-10 -86.92 159.49 51.57 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 10.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 87.23 1.35 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.465 1.771 . . . . 10.0 111.013 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.493 ' HB3' ' CG2' ' A' ' 81' ' ' VAL . 0.3 OUTLIER -175.39 -38.36 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 10.0 109.327 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 70' ' ' LYS . 5.3 p -49.06 -20.85 0.6 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.412 1.07 . . . . 10.0 109.987 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.413 ' N ' ' C ' ' A' ' 67' ' ' LEU . 0.6 OUTLIER 68.96 -60.84 0.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 10.0 110.288 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 68' ' ' SER . 0.3 OUTLIER 70.89 -175.28 0.18 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 10.0 109.277 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.503 ' CG ' ' O ' ' A' ' 71' ' ' HIS . 14.0 t-160 56.75 41.72 27.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 10.0 109.592 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -140.54 -144.18 4.43 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.52 1.137 . . . . 10.0 111.003 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -166.84 -125.17 0.76 Allowed Glycine 0 CA--C 1.531 1.035 0 N-CA-C 111.019 -0.832 . . . . 10.0 111.019 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.501 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 18.4 Cg_endo -74.97 57.04 4.42 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.487 1.783 . . . . 10.0 111.017 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.501 ' CB ' ' O ' ' A' ' 74' ' ' PRO . 0.2 OUTLIER 87.4 46.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 10.0 109.332 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.81 -29.79 13.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 10.0 109.347 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.495 ' O ' ' CB ' ' A' ' 78' ' ' GLU . 0.3 OUTLIER -125.0 7.35 7.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 10.0 110.299 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.495 ' CB ' ' O ' ' A' ' 77' ' ' GLU . 2.4 tt0 87.02 -63.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 10.0 110.29 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.476 ' CD ' ' HA ' ' A' ' 83' ' ' ASP . 1.3 ptp180 34.92 63.15 0.49 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 10.0 110.326 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -68.0 -11.99 59.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 10.0 109.617 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.493 ' CG2' ' HB3' ' A' ' 67' ' ' LEU . 66.5 t -84.88 -97.13 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 10.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 83' ' ' ASP . . . -52.43 -39.34 52.32 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.434 1.084 . . . . 10.0 111.031 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.476 ' HA ' ' CD ' ' A' ' 79' ' ' ARG . 3.4 t0 38.63 -154.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 0.775 . . . . 10.0 109.321 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 75.72 -79.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 10.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 105.23 -113.89 4.44 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.519 1.137 . . . . 10.0 110.998 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.452 ' N ' ' OD1' ' A' ' 86' ' ' ASN . 0.2 OUTLIER -125.55 144.18 50.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 0.763 . . . . 10.0 109.304 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.542 HG23 ' CD2' ' A' ' 45' ' ' PHE . 39.0 t -115.17 164.67 11.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 10.0 109.312 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 3.2 m -123.34 139.36 54.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 10.0 110.407 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -84.96 174.88 9.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 10.0 109.345 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.451 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 13.2 t0 -85.27 -97.08 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 10.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.451 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 8.7 pttt -137.7 11.84 2.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 10.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -155.2 24.88 0.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 10.0 109.292 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.443 ' HA3' ' C ' ' A' ' 38' ' ' LEU . . . 89.76 -33.06 4.54 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.474 1.109 . . . . 10.0 111.046 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.5 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 23.4 t -40.16 101.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.459 0.74 . . . . 10.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -106.86 118.18 36.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 10.0 109.266 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -110.3 147.32 34.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 10.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 61.7 t -125.27 164.29 24.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 10.0 109.293 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 24.5 p -172.31 92.54 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 10.0 110.007 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 7.5 mt -132.07 150.67 33.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 10.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -132.29 89.89 2.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 10.0 110.303 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.68 143.29 31.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 10.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.425 ' CA ' ' HB3' ' A' ' 28' ' ' PRO . 6.4 p -114.25 62.97 0.66 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 10.0 110.027 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 70.7 t -145.24 -51.58 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 10.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.483 ' HB ' ' CG2' ' A' ' 112' ' ' ILE . 0.1 OUTLIER -61.53 177.98 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 10.0 109.29 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 47.3 t -158.64 151.53 22.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 10.0 109.983 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.47 ' CD2' HD11 ' A' ' 151' ' ' ILE . 1.6 mp -66.56 -42.51 86.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 10.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 52.1 m -146.59 102.75 3.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.142 . . . . 10.0 109.984 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -176.05 -140.86 3.62 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.554 1.158 . . . . 10.0 111.001 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.91 -45.75 56.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 0.751 . . . . 10.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 8.4 m80 -101.51 50.93 0.85 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 10.0 109.553 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 5.0 t -51.96 123.01 9.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 10.0 110.005 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.483 ' CG2' ' HB ' ' A' ' 104' ' ' ILE . 2.2 pp -87.21 -25.55 6.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 10.0 109.341 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 12.1 mm -51.16 146.26 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 10.0 109.313 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 85.25 -12.77 57.57 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.511 1.132 . . . . 10.0 111.018 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.471 ' CG ' HD12 ' A' ' 149' ' ' ILE . 8.4 ptm180 -83.93 131.7 34.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 0.759 . . . . 10.0 110.284 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.459 ' HB ' ' N ' ' A' ' 148' ' ' VAL . 0.0 OUTLIER -128.05 153.63 46.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 10.0 110.425 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.463 ' CD1' ' HB3' ' A' ' 45' ' ' PHE . 4.5 mm? -94.45 58.89 2.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 10.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.435 ' CG1' ' HB3' ' A' ' 143' ' ' ARG . 16.1 t -53.21 124.07 5.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 10.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.544 HG11 ' CE1' ' A' ' 45' ' ' PHE . 12.4 m -75.16 -178.3 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 10.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.541 ' NE2' ' CE1' ' A' ' 46' ' ' HIS . 1.9 m-70 -141.23 157.0 45.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 10.0 109.602 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.54 -11.76 26.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 10.0 110.349 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -170.99 -168.29 0.64 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 10.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.454 ' CB ' ' HB3' ' A' ' 42' ' ' LEU . . . -113.03 -176.82 2.99 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.553 1.158 . . . . 10.0 109.316 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 32.9 t0 -106.24 7.39 31.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 10.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 51.13 38.14 20.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 10.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 12.4 mt 58.34 20.45 7.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 10.0 109.328 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 113.71 120.64 3.61 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.495 1.122 . . . . 10.0 111.016 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 12.4 mttm -95.79 34.47 1.51 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 0.779 . . . . 10.0 109.346 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 90.39 -11.77 70.25 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.486 1.116 . . . . 10.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 97.76 115.44 3.4 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.96 -0.856 . . . . 10.0 110.96 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . 0.53 ' O ' ' N ' ' A' ' 135' ' ' THR . 28.7 m-20 -145.82 152.81 40.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 0.753 . . . . 10.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -49.99 -19.56 0.74 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 10.0 110.284 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . 0.41 ' N ' ' C ' ' A' ' 131' ' ' ASN . 1.2 tt0 -101.32 -29.59 11.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 10.0 110.278 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 137' ' ' THR . 3.7 m -85.88 -53.08 5.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 10.0 110.038 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' THR . . . . . 0.53 ' N ' ' O ' ' A' ' 131' ' ' ASN . 74.5 p -44.6 -24.69 0.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.572 1.17 . . . . 10.0 110.404 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.448 ' HG3' ' N ' ' A' ' 137' ' ' THR . 0.1 OUTLIER -99.02 -33.16 10.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 10.0 109.278 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' THR . . . . . 0.459 ' OG1' ' N ' ' A' ' 138' ' ' GLY . 69.8 p -146.21 -102.4 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 10.0 110.415 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . 0.459 ' N ' ' OG1' ' A' ' 137' ' ' THR . . . -169.84 39.16 0.2 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.545 1.153 . . . . 10.0 110.974 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 55.86 19.17 3.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 0.763 . . . . 10.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -144.77 26.7 1.38 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.128 . . . . 10.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . 0.509 ' HA2' ' CE1' ' A' ' 120' ' ' HIS . . . -71.12 75.64 0.62 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.528 1.143 . . . . 10.0 111.001 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.44 79.46 1.89 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 0.775 . . . . 10.0 109.995 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . 0.435 ' HB3' ' CG1' ' A' ' 118' ' ' VAL . 0.0 OUTLIER -43.01 165.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 10.0 110.295 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.465 ' HB2' ' CG2' ' A' ' 119' ' ' VAL . 21.3 mt -146.98 -76.34 0.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 10.0 109.352 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . 0.488 ' CB ' HG11 ' A' ' 14' ' ' VAL . . . -98.01 168.12 10.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 10.0 109.282 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' CYS . . . . . 1.3 ' SG ' ' SG ' ' A' ' 57' ' ' CYS . 2.6 p -155.68 67.1 0.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 10.0 108.322 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . 0.542 ' O ' ' HB ' ' A' ' 148' ' ' VAL . . . -45.57 -68.41 1.01 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.523 1.139 . . . . 10.0 111.013 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . 0.542 ' HB ' ' O ' ' A' ' 147' ' ' GLY . 15.2 t 85.27 100.01 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 0.772 . . . . 10.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' ILE . . . . . 0.509 HG22 ' CG ' ' A' ' 20' ' ' PHE . 2.7 mp -58.53 121.63 6.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 10.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -130.43 138.05 9.93 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.49 1.119 . . . . 10.0 111.037 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . 0.473 ' CD1' HG22 ' A' ' 2' ' ' THR . 29.6 mm -54.11 149.99 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.53 0.782 . . . . 10.0 109.351 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . 0.477 ' CB ' HG22 ' A' ' 5' ' ' VAL . . . -149.57 175.05 11.87 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.526 1.141 . . . . 10.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 10.0 110.309 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.267 -0.642 . . . . 10.0 109.267 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.499 ' CG2' ' CD1' ' A' ' 151' ' ' ILE . 0.3 OUTLIER -128.63 131.3 48.08 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.515 1.134 . . . . 10.0 110.374 179.997 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -125.03 104.26 8.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 10.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.508 ' CB ' ' HB2' ' A' ' 20' ' ' PHE . . . -85.67 152.7 22.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 10.0 109.337 179.956 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.477 HG21 ' CB ' ' A' ' 152' ' ' ALA . 7.0 t -128.71 160.4 39.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 10.0 109.335 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.461 ' CB ' HG22 ' A' ' 18' ' ' ILE . . . -154.18 87.76 1.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 10.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.449 ' CG2' ' O ' ' A' ' 7' ' ' VAL . 19.1 m -83.7 79.17 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 10.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.519 ' CD1' ' HA3' ' A' ' 147' ' ' GLY . 3.4 mp -42.46 126.76 3.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 10.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.35 -82.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 10.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.434 ' CA ' ' HB ' ' A' ' 14' ' ' VAL . . . 113.13 121.9 3.85 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.498 1.124 . . . . 10.0 110.966 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -53.85 -25.93 22.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 0.771 . . . . 10.0 109.259 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -150.1 -98.77 0.19 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.554 1.159 . . . . 10.0 111.016 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 14' ' ' VAL . 18.5 Cg_endo -74.95 -33.39 4.69 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.479 1.779 . . . . 10.0 110.993 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.451 ' CG1' ' HB3' ' A' ' 145' ' ' ALA . 52.8 t -39.81 144.79 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 10.0 109.29 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 174.26 76.85 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 10.0 110.262 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.485 ' CA ' ' HA ' ' A' ' 35' ' ' ILE . . . -92.26 159.95 25.56 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.506 1.129 . . . . 10.0 110.961 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 35.9 mt -129.82 97.57 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.505 0.768 . . . . 10.0 109.274 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.461 HG22 ' CB ' ' A' ' 6' ' ' ALA . 0.1 OUTLIER -108.97 132.03 58.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 10.0 109.278 179.992 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.419 ' N ' HD13 ' A' ' 18' ' ' ILE . 0.2 OUTLIER -124.58 143.29 50.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.158 . . . . 10.0 109.254 -179.989 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.578 ' CD2' HG22 ' A' ' 31' ' ' VAL . 5.5 m-85 -111.09 118.96 37.44 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.528 1.143 . . . . 10.0 111.014 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -109.48 133.22 53.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 10.0 110.277 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -143.57 102.22 3.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.576 1.173 . . . . 10.0 110.242 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.36 35.12 0.93 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 10.0 109.269 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -156.69 150.86 25.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 10.0 110.312 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 21.7 m -89.26 -3.82 58.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 10.0 109.956 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 14.3 p30 -165.87 32.68 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 10.0 109.331 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -113.24 -155.75 11.95 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.498 1.124 . . . . 10.0 111.032 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 165.97 30.21 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.489 1.784 . . . . 10.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.473 HG22 ' CD1' ' A' ' 106' ' ' LEU . 14.0 t -131.24 102.36 6.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 10.0 109.281 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.2 mttt -64.35 95.3 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 10.0 109.318 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.578 HG22 ' CD2' ' A' ' 20' ' ' PHE . 72.8 t -96.74 125.17 49.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 10.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 7.7 p90 -153.21 149.46 28.0 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.013 -1.106 . . . . 10.0 108.013 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.41 ' O ' ' HA ' ' A' ' 96' ' ' ASP . . . -166.99 -173.35 35.2 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.504 1.127 . . . . 10.0 110.995 179.924 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 58.3 p -157.77 118.37 3.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.44 0.729 . . . . 10.0 109.985 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.485 ' HA ' ' CA ' ' A' ' 16' ' ' GLY . 0.2 OUTLIER -84.6 163.51 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 10.0 109.297 -179.995 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.437 ' HG2' ' O ' ' A' ' 35' ' ' ILE . 34.1 mttt -149.02 105.43 3.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 10.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.451 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 138.22 -38.33 1.71 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.494 1.121 . . . . 10.0 111.01 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.536 HD11 ' CD2' ' A' ' 43' ' ' HIS . 0.3 OUTLIER -53.91 -168.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 0.763 . . . . 10.0 109.294 179.969 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.423 ' O ' ' C ' ' A' ' 40' ' ' GLU . 11.3 p -151.85 145.34 24.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 10.0 110.406 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 39' ' ' THR . 2.4 tt0 -36.88 115.1 0.35 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 10.0 110.32 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.44 ' O ' ' NE2' ' A' ' 43' ' ' HIS . . . 143.16 168.55 12.04 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.522 1.139 . . . . 10.0 111.0 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.551 ' CD2' ' ND2' ' A' ' 86' ' ' ASN . 4.2 mp -66.52 156.79 33.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 0.741 . . . . 10.0 109.244 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.536 ' CD2' HD11 ' A' ' 38' ' ' LEU . 9.6 m80 -140.14 77.69 1.62 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 10.0 109.614 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 43' ' ' HIS . . . 34.64 -143.14 0.07 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.432 1.082 . . . . 10.0 110.997 -179.952 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.421 ' O ' ' O ' ' A' ' 46' ' ' HIS . 18.0 m-85 -141.44 112.46 7.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 0.758 . . . . 10.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.471 ' CG ' HD12 ' A' ' 117' ' ' LEU . 10.3 p80 -46.19 172.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 10.0 109.574 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.4 ' HB ' ' O ' ' A' ' 46' ' ' HIS . 75.3 t 66.2 135.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 10.0 109.291 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.463 ' CE1' HG23 ' A' ' 116' ' ' THR . 0.0 OUTLIER -131.21 174.56 9.92 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.142 . . . . 10.0 109.636 179.997 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -39.94 -39.52 0.86 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 10.0 110.299 -179.969 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 61.91 133.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 10.0 110.272 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -179.04 -169.84 0.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 10.0 110.301 -179.965 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.492 ' O ' ' CB ' ' A' ' 53' ' ' ASN . 18.2 t70 -94.32 102.74 14.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 10.0 109.284 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.492 ' CB ' ' O ' ' A' ' 52' ' ' ASP . 6.9 m-20 155.93 66.08 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 10.0 109.268 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.407 ' CG2' ' N ' ' A' ' 55' ' ' ALA . 4.0 t -155.13 -46.09 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 10.0 110.371 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.407 ' N ' ' CG2' ' A' ' 54' ' ' THR . . . 72.68 -58.27 0.6 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 10.0 109.317 -179.953 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -132.3 -70.05 0.09 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.492 1.12 . . . . 10.0 110.99 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -168.21 91.19 0.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.342 -0.984 . . . . 10.0 108.342 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 59.0 p -105.39 -147.36 0.39 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 10.0 110.388 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 26.2 m -160.76 105.22 1.39 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 10.0 109.989 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -111.02 -77.35 0.59 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 10.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.527 ' O ' ' CE1' ' A' ' 63' ' ' HIS . . . 164.76 84.53 0.05 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.511 1.132 . . . . 10.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 134.25 17.49 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.467 1.772 . . . . 10.0 110.973 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.527 ' CE1' ' O ' ' A' ' 61' ' ' GLY . 4.3 m80 -126.48 23.86 6.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 10.0 109.627 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.47 ' CD1' HG13 ' A' ' 81' ' ' VAL . 31.0 m-85 51.95 172.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 10.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -88.32 158.76 48.72 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 10.0 109.292 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 83.72 1.78 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.48 1.779 . . . . 10.0 110.953 -179.965 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.478 HD13 ' CG ' ' A' ' 80' ' ' HIS . 0.1 OUTLIER -171.11 -47.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 10.0 109.284 179.975 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.498 ' O ' ' CB ' ' A' ' 69' ' ' ARG . 0.3 OUTLIER -66.14 -42.27 89.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 10.0 109.959 179.986 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.498 ' CB ' ' O ' ' A' ' 68' ' ' SER . 0.0 OUTLIER 84.47 -45.46 0.09 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.118 . . . . 10.0 110.317 -179.978 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.472 ' CB ' ' O ' ' A' ' 69' ' ' ARG . 0.3 OUTLIER 85.26 -164.69 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 10.0 109.288 -179.987 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.468 ' CE1' ' HD2' ' A' ' 69' ' ' ARG . 9.5 p80 37.66 39.33 0.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 10.0 109.588 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.497 ' CA ' ' HB3' ' A' ' 76' ' ' ASP . . . -130.11 -163.81 11.18 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.537 1.148 . . . . 10.0 110.965 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 118.9 -86.96 0.41 Allowed Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.96 -0.856 . . . . 10.0 110.96 179.949 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -19.73 17.43 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.473 1.775 . . . . 10.0 111.009 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.52 47.09 2.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 10.0 109.337 179.923 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.497 ' HB3' ' CA ' ' A' ' 72' ' ' GLY . 5.4 t70 169.74 129.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 10.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.477 ' O ' ' CG ' ' A' ' 77' ' ' GLU . 11.3 tt0 -105.25 -2.1 24.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 10.0 110.28 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.414 ' O ' ' O ' ' A' ' 77' ' ' GLU . 0.8 OUTLIER -44.61 -96.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 10.0 110.324 179.986 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.428 ' O ' ' ND1' ' A' ' 80' ' ' HIS . 33.3 mmt180 54.14 168.89 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 10.0 110.307 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.478 ' CG ' HD13 ' A' ' 67' ' ' LEU . 0.1 OUTLIER 168.06 -31.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 10.0 109.6 -179.965 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.47 HG13 ' CD1' ' A' ' 64' ' ' PHE . 8.4 p -75.76 -47.67 32.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 10.0 109.337 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 83' ' ' ASP . . . -124.34 -44.62 0.29 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.479 1.112 . . . . 10.0 110.984 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 82' ' ' GLY . 11.2 t70 39.11 87.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 0.789 . . . . 10.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -167.17 -55.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 10.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 120.76 -174.51 15.78 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.47 1.106 . . . . 10.0 110.991 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.551 ' ND2' ' CD2' ' A' ' 42' ' ' LEU . 2.8 p-10 -84.38 130.29 34.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 0.783 . . . . 10.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.469 ' CG2' ' HB2' ' A' ' 43' ' ' HIS . 24.9 m -84.32 128.33 38.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.154 . . . . 10.0 109.285 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 15.6 m -110.37 153.54 24.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 10.0 110.421 179.928 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.475 ' CB ' ' HA2' ' A' ' 93' ' ' GLY . . . -84.56 175.26 9.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 10.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.429 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 11.1 t0 -84.83 -97.09 0.06 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 10.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.429 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 37.2 pttt -134.21 7.09 3.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 10.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -156.55 24.71 0.34 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 10.0 109.298 -179.939 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.475 ' HA2' ' CB ' ' A' ' 89' ' ' ALA . . . 96.8 -42.29 2.22 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.516 1.135 . . . . 10.0 110.962 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.448 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 20.7 t -40.64 98.61 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.489 0.758 . . . . 10.0 109.307 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 93' ' ' GLY . . . -95.89 111.35 23.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 10.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.41 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 2.0 t70 -99.64 155.26 17.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 10.0 109.254 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.464 HG11 ' N ' ' A' ' 98' ' ' SER . 72.5 t -131.23 153.58 39.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 10.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.464 ' N ' HG11 ' A' ' 97' ' ' VAL . 80.0 p -174.45 88.06 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 10.0 110.01 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.417 HG21 ' N ' ' A' ' 100' ' ' GLU . 2.7 mp -135.72 165.45 29.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 10.0 109.256 -179.953 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.417 ' N ' HG21 ' A' ' 99' ' ' ILE . 0.0 OUTLIER -125.49 94.58 4.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 10.0 110.352 179.975 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -94.5 132.99 38.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 10.0 109.299 -179.964 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 21.9 p -123.26 -45.89 2.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 10.0 109.984 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 89.6 t -45.43 -43.67 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 10.0 109.342 179.951 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.494 ' C ' ' CD1' ' A' ' 104' ' ' ILE . 1.8 pp -71.32 178.1 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.102 . . . . 10.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.82 146.96 23.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 10.0 110.016 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.473 ' CD1' HG22 ' A' ' 29' ' ' VAL . 4.0 mp -77.32 -36.95 53.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.09 . . . . 10.0 109.261 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -151.94 68.84 0.89 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 10.0 109.978 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -139.37 -115.92 1.32 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.552 1.157 . . . . 10.0 111.002 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.87 -8.48 21.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 0.766 . . . . 10.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 68.4 m80 -105.45 -50.73 3.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 10.0 109.63 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.2 t 54.03 92.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 10.0 109.985 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.561 HD13 ' CE2' ' A' ' 20' ' ' PHE . 0.7 OUTLIER -103.01 -8.03 9.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 10.0 109.245 -179.962 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 11.2 mm -49.21 116.41 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 10.0 109.307 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 100.48 42.09 2.61 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.475 1.11 . . . . 10.0 110.981 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.457 ' O ' ' N ' ' A' ' 117' ' ' LEU . 2.6 mtt180 -84.25 83.43 7.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 0.773 . . . . 10.0 110.298 -179.973 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.468 ' CG2' HG21 ' A' ' 148' ' ' VAL . 0.4 OUTLIER -42.34 94.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 10.0 110.374 -179.988 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.471 HD12 ' CG ' ' A' ' 46' ' ' HIS . 0.2 OUTLIER -81.79 69.49 8.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 10.0 109.299 179.993 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.46 ' CG1' ' HA ' ' A' ' 146' ' ' CYS . 2.7 m -101.25 175.99 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 10.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 10.5 m -142.76 149.45 18.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 10.0 109.306 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.494 ' CE1' ' CA ' ' A' ' 141' ' ' GLY . 3.9 m-70 -86.11 168.63 13.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 10.0 109.626 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -90.66 20.56 4.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.169 . . . . 10.0 110.316 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.75 155.56 1.03 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 10.0 109.264 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.482 ' CB ' ' HB2' ' A' ' 42' ' ' LEU . . . -69.32 155.23 40.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 10.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.522 ' O ' ' CB ' ' A' ' 125' ' ' ASP . 0.2 OUTLIER -45.91 -91.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 10.0 109.284 -179.994 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . 0.522 ' CB ' ' O ' ' A' ' 124' ' ' ASP . 3.9 m-20 154.49 -24.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 10.0 109.336 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.1 mt 52.34 21.86 1.84 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 10.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -99.45 75.86 0.49 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.493 1.12 . . . . 10.0 110.996 -180.0 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.437 ' CG ' ' HB2' ' A' ' 71' ' ' HIS . 0.1 OUTLIER -52.7 -24.72 9.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 0.756 . . . . 10.0 109.339 179.983 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -41.22 -48.45 4.5 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.469 1.106 . . . . 10.0 111.031 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -55.85 -172.46 0.13 Allowed Glycine 0 CA--C 1.531 1.033 0 N-CA-C 110.967 -0.853 . . . . 10.0 110.967 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . 0.447 ' O ' ' N ' ' A' ' 133' ' ' GLN . 68.8 m-80 -153.77 139.7 18.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 0.779 . . . . 10.0 109.245 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 131' ' ' ASN . 2.0 mp0 38.17 30.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 10.0 110.292 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 131' ' ' ASN . 0.0 OUTLIER -140.98 -72.97 0.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 10.0 110.323 179.959 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 134' ' ' SER . . . . . 0.453 ' HA ' ' CA ' ' A' ' 138' ' ' GLY . 23.6 p -95.47 -12.58 25.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 10.0 109.996 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 19.0 p -79.99 -9.59 59.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 10.0 110.384 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.38 -37.66 3.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 10.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 45.8 p -126.81 -77.84 0.58 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.122 . . . . 10.0 110.434 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . 0.453 ' CA ' ' HA ' ' A' ' 134' ' ' SER . . . 156.73 43.94 0.02 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.472 1.108 . . . . 10.0 110.987 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 53.1 t-20 40.25 31.07 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 0.767 . . . . 10.0 109.306 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.436 ' N ' ' C ' ' A' ' 138' ' ' GLY . . . -162.96 52.45 0.18 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 10.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . 0.494 ' CA ' ' CE1' ' A' ' 120' ' ' HIS . . . -102.23 88.66 0.69 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.468 1.105 . . . . 10.0 110.987 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 142' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 143' ' ' ARG . 0.2 OUTLIER -125.76 76.91 1.62 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 0.758 . . . . 10.0 110.042 179.974 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . 0.43 ' NH1' ' HB2' ' A' ' 143' ' ' ARG . 0.0 OUTLIER -37.88 155.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 10.0 110.319 -179.971 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 2.2 mt -132.66 -86.33 0.46 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 10.0 109.296 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . 0.451 ' HB3' ' CG1' ' A' ' 14' ' ' VAL . . . -77.88 169.77 17.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 10.0 109.272 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 146' ' ' CYS . . . . . 0.46 ' HA ' ' CG1' ' A' ' 118' ' ' VAL . 0.8 OUTLIER -156.91 70.35 0.63 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 10.0 108.273 -179.975 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . 0.519 ' HA3' ' CD1' ' A' ' 8' ' ' LEU . . . -68.95 -58.42 6.81 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.517 1.136 . . . . 10.0 110.967 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . 0.468 HG21 ' CG2' ' A' ' 116' ' ' THR . 58.1 t 68.46 151.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 0.749 . . . . 10.0 109.314 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 149' ' ' ILE . . . . . 0.57 ' CD1' ' CE1' ' A' ' 20' ' ' PHE . 0.8 OUTLIER -87.84 137.47 20.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 10.0 109.281 -179.992 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 151' ' ' ILE . . . -147.5 111.31 0.55 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.478 1.111 . . . . 10.0 110.998 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . 0.499 ' CD1' ' CG2' ' A' ' 2' ' ' THR . 16.4 mm -38.48 141.39 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.535 0.785 . . . . 10.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . 0.477 ' CB ' HG21 ' A' ' 5' ' ' VAL . . . -144.13 162.1 37.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 10.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 10.0 110.296 -179.975 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.453 ' CB ' ' HA ' ' A' ' 23' ' ' LYS . . . . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.28 -0.637 . . . . 10.0 109.28 . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.459 HG23 ' CD1' ' A' ' 151' ' ' ILE . 1.7 m -113.74 110.81 20.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 10.0 110.359 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.4 ttmt -121.21 142.09 50.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 10.0 109.281 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.5 ' HB1' ' CG2' ' A' ' 149' ' ' ILE . . . -118.6 159.59 23.31 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.457 1.098 . . . . 10.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.447 HG21 ' CB ' ' A' ' 152' ' ' ALA . 2.7 t -134.88 158.27 41.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 10.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.427 ' CB ' ' O ' ' A' ' 147' ' ' GLY . . . -155.66 93.01 1.43 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 10.0 109.291 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.416 ' O ' ' C ' ' A' ' 8' ' ' LEU . 53.8 t -81.38 98.69 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 10.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.507 ' HB2' ' N ' ' A' ' 16' ' ' GLY . 1.1 mm? -39.2 152.46 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 10.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.7 tttt -175.91 107.93 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 10.0 109.277 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 11' ' ' ASP . . . -153.62 -108.31 0.33 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.531 1.144 . . . . 10.0 111.031 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 10' ' ' GLY . 13.2 t0 -39.55 -60.94 0.88 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 0.745 . . . . 10.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.511 ' N ' ' CD ' ' A' ' 13' ' ' PRO . . . 160.53 -50.32 0.37 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.491 1.12 . . . . 10.0 110.986 -180.0 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.511 ' CD ' ' N ' ' A' ' 12' ' ' GLY . 18.4 Cg_endo -75.04 -42.27 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.49 1.784 . . . . 10.0 110.99 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.479 HG12 ' CG2' ' A' ' 119' ' ' VAL . 43.3 t -59.76 89.56 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 10.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -115.74 42.07 2.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 10.0 110.271 -179.972 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.507 ' N ' ' HB2' ' A' ' 8' ' ' LEU . . . -52.56 166.29 1.22 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.461 1.101 . . . . 10.0 111.021 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 31.1 mt -141.87 97.03 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.47 0.747 . . . . 10.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.504 ' C ' ' CD1' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -114.58 139.43 40.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 10.0 109.302 179.98 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -134.07 163.59 29.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 10.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.573 ' CD1' HG23 ' A' ' 31' ' ' VAL . 3.5 m-30 -114.8 130.16 56.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 10.0 110.999 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.403 ' HB2' ' CH2' ' A' ' 32' ' ' TRP . 1.1 tp10 -116.85 131.29 56.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 10.0 110.307 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -155.12 71.13 0.78 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.115 . . . . 10.0 110.288 -179.959 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.453 ' HA ' ' CB ' ' A' ' 1' ' ' ALA . 34.1 mtpt -83.25 51.55 1.99 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 10.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.407 ' HB3' ' N ' ' A' ' 27' ' ' GLY . 5.2 mm-40 -155.33 141.23 18.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 10.0 110.269 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 28.8 m -81.53 -13.97 57.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 10.0 109.992 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -151.69 34.23 0.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 10.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.407 ' N ' ' HB3' ' A' ' 24' ' ' GLU . . . -113.07 177.63 18.26 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.471 1.107 . . . . 10.0 111.001 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.492 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 18.4 Cg_endo -75.0 173.15 15.0 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.527 1.804 . . . . 10.0 111.027 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 23.6 t -113.96 95.88 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 10.0 109.287 -179.959 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.1 mttp -65.89 90.08 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 10.0 109.335 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.573 HG23 ' CD1' ' A' ' 20' ' ' PHE . 19.7 t -88.46 130.91 37.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 10.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.403 ' CH2' ' HB2' ' A' ' 21' ' ' GLU . 6.6 p90 -151.05 160.02 44.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 10.0 108.015 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -173.25 -173.12 39.36 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.527 1.142 . . . . 10.0 111.013 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.8 p -156.44 123.05 5.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 0.735 . . . . 10.0 110.011 179.973 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.598 ' CG2' ' CD2' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -87.06 165.16 2.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 10.0 109.305 -179.99 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.432 ' N ' ' CG2' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -160.08 108.88 1.73 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 10.0 109.278 -180.0 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.459 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 157.92 -63.68 0.31 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.479 1.112 . . . . 10.0 111.04 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.598 ' CD2' ' CG2' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -54.68 -165.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 0.74 . . . . 10.0 109.302 179.988 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 57.7 p -134.68 160.77 37.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 10.0 110.434 179.965 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -40.11 129.77 2.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 10.0 110.25 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 136.38 173.49 12.97 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.493 1.121 . . . . 10.0 110.954 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 5.3 mp -63.68 162.27 13.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 0.756 . . . . 10.0 109.337 179.958 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.477 ' CE1' ' HB2' ' A' ' 38' ' ' LEU . 85.9 m-70 -155.09 128.07 8.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.427 1.079 . . . . 10.0 109.614 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 43' ' ' HIS . . . -37.18 154.02 0.01 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.488 1.117 . . . . 10.0 111.022 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.606 ' CD2' ' O ' ' A' ' 83' ' ' ASP . 3.9 t80 -86.14 155.98 20.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 0.766 . . . . 10.0 110.995 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.482 ' C ' ' CG2' ' A' ' 47' ' ' VAL . 7.5 p80 -65.28 175.21 1.76 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 10.0 109.613 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.482 ' CG2' ' C ' ' A' ' 46' ' ' HIS . 2.2 t 80.77 94.1 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 10.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.5 ' CG ' ' O ' ' A' ' 48' ' ' HIS . 14.6 p-80 -124.57 59.68 1.19 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 10.0 109.561 -179.948 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 174.94 170.82 0.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 10.0 110.342 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -53.04 -175.37 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.504 1.127 . . . . 10.0 110.284 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -70.35 -152.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 10.0 110.301 179.996 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.411 ' O ' ' CG ' ' A' ' 53' ' ' ASN . 4.0 p-10 -46.36 100.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 10.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.411 ' CG ' ' O ' ' A' ' 52' ' ' ASP . 1.9 m120 169.78 66.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 10.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 3.7 t -155.26 -44.33 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 10.0 110.39 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 74.22 -58.16 0.59 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 10.0 109.279 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -140.72 -82.12 0.07 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.529 1.143 . . . . 10.0 110.978 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -175.03 91.87 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.269 -1.011 . . . . 10.0 108.269 -179.946 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 60' ' ' ALA . 75.0 p -108.45 99.4 8.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 10.0 110.42 179.967 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.6 m -48.83 93.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 10.0 109.96 -179.962 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 58' ' ' THR . . . -130.94 -65.63 0.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 10.0 109.26 -179.985 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -144.39 66.12 0.45 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.453 1.096 . . . . 10.0 111.047 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.498 ' O ' ' CZ ' ' A' ' 143' ' ' ARG . 18.3 Cg_endo -75.0 55.12 3.85 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.499 1.789 . . . . 10.0 110.956 -179.957 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.425 ' O ' ' O ' ' A' ' 64' ' ' PHE . 55.0 p-80 -119.1 96.83 5.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 10.0 109.642 179.961 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.431 ' CE1' ' O ' ' A' ' 47' ' ' VAL . 0.6 OUTLIER -37.87 158.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 10.0 110.979 -179.974 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 7.7 p-10 -84.27 122.78 75.58 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.456 1.097 . . . . 10.0 109.312 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 54.19 3.55 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.478 1.778 . . . . 10.0 111.021 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 10.2 tt -94.21 -45.7 7.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 10.0 109.319 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.405 ' HB3' ' N ' ' A' ' 79' ' ' ARG . 0.5 OUTLIER -111.0 -45.0 3.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 10.0 110.01 179.99 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.402 ' NH2' ' O ' ' A' ' 64' ' ' PHE . 3.2 ptt180 -71.33 62.74 0.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 10.0 110.27 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.96 57.64 0.97 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 10.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.479 ' CD2' ' C ' ' A' ' 71' ' ' HIS . 0.1 OUTLIER 63.21 133.74 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 10.0 109.61 -179.988 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 156.37 -130.64 2.77 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.523 1.139 . . . . 10.0 110.972 179.944 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.465 ' O ' ' N ' ' A' ' 78' ' ' GLU . . . -124.95 133.28 8.44 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.044 -0.822 . . . . 10.0 111.044 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 76.14 3.49 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.515 1.797 . . . . 10.0 110.964 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.57 -38.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 10.0 109.278 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.45 ' HA ' ' CG ' ' A' ' 80' ' ' HIS . 0.9 OUTLIER -154.62 -43.14 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.107 . . . . 10.0 109.328 -179.99 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -83.12 11.49 6.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 10.0 110.341 179.961 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.562 ' O ' ' C ' ' A' ' 79' ' ' ARG . 0.5 OUTLIER -162.75 145.64 10.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 10.0 110.292 -179.991 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.562 ' C ' ' O ' ' A' ' 78' ' ' GLU . 0.0 OUTLIER 25.07 67.83 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 10.0 110.268 -179.983 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.45 ' CG ' ' HA ' ' A' ' 76' ' ' ASP . 81.5 t60 -125.42 3.76 7.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 10.0 109.64 179.96 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 54.4 t -129.53 88.79 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 10.0 109.321 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 107.58 -51.88 0.69 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.535 1.147 . . . . 10.0 110.997 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.606 ' O ' ' CD2' ' A' ' 45' ' ' PHE . 15.7 m-20 -80.25 -68.08 0.71 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 0.764 . . . . 10.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.488 ' CB ' ' O ' ' A' ' 83' ' ' ASP . 0.2 OUTLIER 87.2 -67.6 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.112 . . . . 10.0 109.326 -179.971 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.402 ' HA2' ' CZ ' ' A' ' 79' ' ' ARG . . . -146.14 -141.52 3.63 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.47 1.106 . . . . 10.0 110.997 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.415 ' ND2' ' HB2' ' A' ' 124' ' ' ASP . 0.9 OUTLIER -146.1 170.83 15.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 0.781 . . . . 10.0 109.338 179.979 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 33.1 m -126.17 157.46 36.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 10.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 4.4 m -111.02 147.78 34.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 10.0 110.406 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.473 ' CB ' ' O ' ' A' ' 93' ' ' GLY . . . -84.71 168.3 15.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 10.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.448 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 25.4 t0 -72.88 -100.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.155 . . . . 10.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.448 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 31.2 pttt -134.7 6.21 3.45 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 10.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -149.69 19.35 0.91 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 10.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.475 ' HA3' ' O ' ' A' ' 38' ' ' LEU . . . 103.25 -46.92 1.15 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.533 1.145 . . . . 10.0 111.009 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.522 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 53.7 t -36.02 111.62 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.533 0.784 . . . . 10.0 109.311 -179.957 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -116.78 123.29 46.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 10.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -109.34 145.55 35.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 10.0 109.273 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.457 ' CG1' HD11 ' A' ' 99' ' ' ILE . 28.7 t -120.41 160.31 21.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.148 . . . . 10.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.408 ' N ' HG11 ' A' ' 97' ' ' VAL . 8.4 t -165.41 95.78 0.66 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 10.0 110.03 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.457 HD11 ' CG1' ' A' ' 97' ' ' VAL . 3.3 mt -121.65 148.65 24.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 10.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -129.07 90.97 3.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.166 . . . . 10.0 110.287 179.981 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.492 ' O ' ' CB ' ' A' ' 28' ' ' PRO . 80.0 m-20 -105.21 148.21 27.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 10.0 109.321 179.936 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.2 p -115.86 -36.83 4.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 10.0 110.008 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 73.4 t -53.38 -48.16 57.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 10.0 109.333 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.401 HD13 ' C ' ' A' ' 104' ' ' ILE . 2.8 pp -64.1 171.97 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.491 1.119 . . . . 10.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -159.81 166.01 31.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 10.0 110.015 -179.957 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.5 mp -77.81 -37.54 48.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 10.0 109.296 179.97 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -149.13 118.44 6.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 10.0 110.0 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 171.02 -121.5 0.91 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.516 1.135 . . . . 10.0 110.949 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -92.31 -32.63 14.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 0.775 . . . . 10.0 109.286 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 7.3 m80 -87.71 -61.23 1.76 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 10.0 109.618 -179.98 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.7 p 58.04 103.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.571 1.169 . . . . 10.0 110.013 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.457 HD13 ' CD2' ' A' ' 20' ' ' PHE . 44.1 pt -97.56 -17.69 6.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 10.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 14.6 mm -59.59 117.01 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 10.0 109.255 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 108.94 26.0 5.43 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.478 1.111 . . . . 10.0 110.992 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.471 ' O ' ' N ' ' A' ' 117' ' ' LEU . 5.7 mtt180 -86.85 76.88 9.37 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 0.759 . . . . 10.0 110.329 179.999 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 31.0 m -45.33 93.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 10.0 110.386 -179.965 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.509 ' O ' ' N ' ' A' ' 147' ' ' GLY . 0.1 OUTLIER -69.26 143.9 53.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 10.0 109.302 179.975 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.457 ' CG2' ' O ' ' A' ' 145' ' ' ALA . 7.5 p -158.43 166.85 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 10.0 109.317 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.479 ' CG2' HG12 ' A' ' 14' ' ' VAL . 2.1 m -136.4 160.33 37.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 10.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.505 ' CE1' ' HB3' ' A' ' 140' ' ' ALA . 0.4 OUTLIER -88.62 -167.02 1.75 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 10.0 109.586 179.992 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -105.55 -39.9 5.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 10.0 110.357 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.09 178.28 5.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 10.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -80.01 161.35 25.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 10.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.415 ' HB2' ' ND2' ' A' ' 86' ' ' ASN . 0.2 OUTLIER -94.55 91.04 6.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 10.0 109.354 179.936 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -62.11 -24.97 67.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.105 . . . . 10.0 109.315 -179.958 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 30.9 mt 58.63 19.17 6.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 10.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 158.34 116.07 0.46 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.553 1.158 . . . . 10.0 110.957 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.82 -35.19 5.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 0.749 . . . . 10.0 109.327 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 149.97 -45.8 0.66 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.47 1.106 . . . . 10.0 111.001 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -87.47 159.88 31.18 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 110.954 -0.858 . . . . 10.0 110.954 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . 0.517 ' O ' ' CB ' ' A' ' 132' ' ' GLU . 5.4 m-80 -112.9 111.39 22.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 0.748 . . . . 10.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . 0.517 ' CB ' ' O ' ' A' ' 131' ' ' ASN . 1.4 mt-10 159.85 -22.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 10.0 110.297 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . 0.443 ' O ' ' CG ' ' A' ' 136' ' ' LYS . 0.8 OUTLIER -110.67 -64.83 1.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 10.0 110.334 179.989 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 134' ' ' SER . . . . . 0.469 ' HA ' ' CA ' ' A' ' 138' ' ' GLY . 0.3 OUTLIER -69.49 -27.03 64.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 10.0 110.028 179.955 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 135' ' ' THR . . . . . 0.509 ' OG1' ' N ' ' A' ' 132' ' ' GLU . 7.0 p -76.28 -13.87 60.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 10.0 110.398 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.443 ' CG ' ' O ' ' A' ' 133' ' ' GLN . 31.1 pttt -105.42 -30.74 9.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 10.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 74.1 p -137.6 -71.68 0.43 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 10.0 110.388 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . 0.469 ' CA ' ' HA ' ' A' ' 134' ' ' SER . . . 144.32 43.53 0.05 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.457 1.098 . . . . 10.0 110.99 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 1.6 m120 47.57 24.82 0.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 0.771 . . . . 10.0 109.281 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.505 ' HB3' ' CE1' ' A' ' 120' ' ' HIS . . . -64.51 -62.0 1.86 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.539 1.149 . . . . 10.0 109.355 179.951 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 142.07 -119.01 1.37 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.455 1.097 . . . . 10.0 110.982 179.991 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 2.5 t -151.95 122.71 7.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 0.723 . . . . 10.0 110.042 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . 0.498 ' CZ ' ' O ' ' A' ' 62' ' ' PRO . 0.0 OUTLIER -42.87 151.14 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 10.0 110.308 179.989 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.514 ' O ' ' CB ' ' A' ' 145' ' ' ALA . 0.4 OUTLIER -162.47 77.49 0.48 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 10.0 109.308 179.978 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . 0.514 ' CB ' ' O ' ' A' ' 144' ' ' LEU . . . 162.54 160.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.421 1.076 . . . . 10.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 146' ' ' CYS . . . . . 0.427 ' HA ' ' O ' ' A' ' 117' ' ' LEU . 1.3 m -156.23 65.41 0.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.103 . . . . 10.0 108.251 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' A' ' 117' ' ' LEU . . . -79.64 63.73 3.95 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.504 1.127 . . . . 10.0 111.0 179.958 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 2.6 t -53.54 127.97 12.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.519 0.776 . . . . 10.0 109.346 179.961 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 149' ' ' ILE . . . . . 0.569 HG21 ' CD2' ' A' ' 20' ' ' PHE . 3.7 mp -85.07 122.05 37.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 10.0 109.29 -179.966 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -138.14 140.02 10.82 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.494 1.121 . . . . 10.0 110.951 -179.969 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . 0.459 ' CD1' HG23 ' A' ' 2' ' ' THR . 18.5 mm -51.58 144.27 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.522 0.778 . . . . 10.0 109.316 179.926 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . 0.447 ' CB ' HG21 ' A' ' 5' ' ' VAL . . . -148.68 160.76 42.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 10.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 10.0 110.332 179.973 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.49 ' N ' ' O ' ' A' ' 22' ' ' GLN . . . . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.313 -0.625 . . . . 10.0 109.313 . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.465 ' CG2' HD12 ' A' ' 151' ' ' ILE . 93.6 m -95.26 167.03 11.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 10.0 110.388 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.7 ttmt -119.15 102.67 8.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 10.0 109.304 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.469 ' CB ' HG22 ' A' ' 149' ' ' ILE . . . -83.93 167.98 16.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 10.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -154.71 148.95 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 10.0 109.332 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.418 ' HB3' ' CG1' ' A' ' 18' ' ' ILE . . . -144.42 104.73 4.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 10.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.402 ' O ' ' C ' ' A' ' 8' ' ' LEU . 6.3 p -82.27 87.38 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 10.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.492 ' CD1' ' O ' ' A' ' 117' ' ' LEU . 0.7 OUTLIER -39.27 141.99 0.29 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 10.0 109.272 -179.963 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -176.75 121.66 0.14 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 10.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -174.66 -73.71 0.05 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.529 1.143 . . . . 10.0 110.998 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.485 ' HA ' ' CD1' ' A' ' 144' ' ' LEU . 66.8 t0 -54.6 -41.04 69.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 0.743 . . . . 10.0 109.353 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.422 ' N ' ' CD ' ' A' ' 13' ' ' PRO . . . 124.18 -55.9 0.7 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.524 1.14 . . . . 10.0 110.987 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.422 ' CD ' ' N ' ' A' ' 12' ' ' GLY . 18.3 Cg_endo -74.99 -24.1 13.18 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.524 1.802 . . . . 10.0 111.018 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.517 ' O ' ' CG1' ' A' ' 14' ' ' VAL . 0.3 OUTLIER -90.9 113.12 26.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 10.0 109.273 179.987 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -131.94 49.83 2.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 10.0 110.263 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.48 ' N ' ' HB2' ' A' ' 8' ' ' LEU . . . -61.46 166.93 14.5 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.51 1.131 . . . . 10.0 110.996 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 52.6 mt -141.78 110.16 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.539 0.788 . . . . 10.0 109.266 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.702 ' CD1' ' CD1' ' A' ' 20' ' ' PHE . 0.6 OUTLIER -97.52 161.13 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 10.0 109.317 179.985 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.56 ' CG ' ' CE2' ' A' ' 32' ' ' TRP . 0.0 OUTLIER -150.94 118.47 6.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 10.0 109.269 -179.969 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.702 ' CD1' ' CD1' ' A' ' 18' ' ' ILE . 3.9 m-30 -106.61 98.01 7.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 10.0 111.006 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 30' ' ' LYS . 21.8 tt0 -113.62 135.82 53.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.082 . . . . 10.0 110.293 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.49 ' O ' ' N ' ' A' ' 1' ' ' ALA . 1.1 tt0 -137.59 58.41 1.7 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 10.0 110.327 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.84 66.13 0.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 10.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.408 ' O ' ' CB ' ' A' ' 25' ' ' SER . 1.7 mm-40 -136.6 -50.11 0.66 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 10.0 110.274 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.408 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 0.1 OUTLIER 79.47 -4.7 1.99 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 10.0 110.007 -179.977 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 19.5 m-20 -163.82 29.24 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 10.0 109.273 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -137.84 -173.9 13.14 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.53 1.144 . . . . 10.0 110.98 -179.967 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.414 ' N ' ' HB3' ' A' ' 102' ' ' SER . 18.3 Cg_endo -75.03 156.97 42.88 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.473 1.775 . . . . 10.0 111.001 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.3 t -84.34 122.43 37.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 10.0 109.307 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 21' ' ' GLU . 21.2 mttt -75.44 89.36 2.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.128 . . . . 10.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.472 HG11 ' CE1' ' A' ' 20' ' ' PHE . 21.6 t -88.65 126.55 41.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 10.0 109.321 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.56 ' CE2' ' CG ' ' A' ' 19' ' ' ASN . 0.0 OUTLIER -155.95 167.96 28.76 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.002 -1.11 . . . . 10.0 108.002 -179.975 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.469 ' N ' ' CD1' ' A' ' 32' ' ' TRP . . . 178.38 -173.45 45.86 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.515 1.134 . . . . 10.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.7 m -156.03 116.76 3.77 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.466 0.745 . . . . 10.0 109.978 -179.963 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.473 ' HA ' ' CA ' ' A' ' 16' ' ' GLY . 0.2 OUTLIER -85.25 161.09 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 10.0 109.272 -179.953 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.437 ' CG ' ' O ' ' A' ' 35' ' ' ILE . 21.8 mttt -153.93 99.06 2.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 10.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 146.65 -35.12 1.32 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.492 1.12 . . . . 10.0 111.019 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.47 HD23 ' CB ' ' A' ' 43' ' ' HIS . 8.0 mt -53.34 -170.32 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 0.744 . . . . 10.0 109.33 179.942 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.1 p -133.95 130.64 37.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 10.0 110.384 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.47 109.27 0.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 10.0 110.33 179.965 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 154.03 -144.33 11.12 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.497 1.123 . . . . 10.0 110.99 -179.977 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.71 149.96 21.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 0.76 . . . . 10.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.558 ' CE1' ' HB ' ' A' ' 87' ' ' VAL . 3.5 p80 -155.45 135.0 12.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 10.0 109.578 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.518 ' HA3' ' CD2' ' A' ' 120' ' ' HIS . . . -40.16 161.49 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.442 1.089 . . . . 10.0 110.994 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.55 ' CG ' ' O ' ' A' ' 83' ' ' ASP . 28.1 t80 -103.1 163.2 12.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 0.768 . . . . 10.0 111.067 179.953 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.601 ' CE1' HD13 ' A' ' 117' ' ' LEU . 2.3 m-70 -67.2 175.68 2.54 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.505 1.128 . . . . 10.0 109.615 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.5 ' CG2' ' C ' ' A' ' 46' ' ' HIS . 2.5 t 83.75 122.63 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 10.0 109.303 179.95 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.477 ' NE2' ' CZ ' ' A' ' 143' ' ' ARG . 5.0 p-80 -147.81 147.58 29.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 10.0 109.587 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 75.21 -80.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 10.0 110.277 179.956 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -156.66 -57.76 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 10.0 110.308 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -165.53 -57.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 10.0 110.323 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 57.31 166.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 10.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 55.8 m-80 -153.13 42.51 0.59 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 10.0 109.322 -179.95 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.3 t -140.53 -52.24 0.48 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 10.0 110.388 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 71.3 116.16 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 10.0 109.256 179.972 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -106.43 -40.94 1.83 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.576 1.172 . . . . 10.0 110.983 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 1.063 ' SG ' ' SG ' ' A' ' 146' ' ' CYS . 0.5 OUTLIER 58.37 74.8 0.42 Allowed 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.297 -1.001 . . . . 10.0 108.297 -179.989 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 30.1 p -143.33 -142.83 0.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 10.0 110.427 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.6 t -158.02 86.45 0.9 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 10.0 110.018 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -112.1 -55.78 2.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 10.0 109.309 179.972 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 165.99 138.06 2.34 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.503 1.127 . . . . 10.0 111.058 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.434 ' HB2' ' CZ ' ' A' ' 64' ' ' PHE . 18.2 Cg_endo -75.0 149.15 36.27 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.463 1.77 . . . . 10.0 110.979 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -127.08 -56.36 1.34 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 10.0 109.588 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.533 ' N ' ' CD1' ' A' ' 64' ' ' PHE . 3.1 m-30 57.97 162.16 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 10.0 111.005 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 -95.78 122.47 58.63 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 10.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 81.25 2.24 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.472 1.775 . . . . 10.0 111.01 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -155.59 -48.93 0.08 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.14 . . . . 10.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.63 -38.39 2.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 10.0 109.98 -179.943 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.407 ' CB ' ' HG2' ' A' ' 79' ' ' ARG . 14.5 mtp180 -76.33 56.34 1.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 10.0 110.318 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -158.58 68.94 0.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 10.0 109.278 -179.945 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.451 ' CG ' ' O ' ' A' ' 71' ' ' HIS . 36.9 t-80 40.71 48.21 2.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 10.0 109.59 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -147.75 -176.56 21.44 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.473 1.108 . . . . 10.0 111.019 -180.0 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 146.91 -135.04 5.52 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.023 -0.831 . . . . 10.0 111.023 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.517 ' HD3' ' CG ' ' A' ' 80' ' ' HIS . 18.2 Cg_endo -75.06 -29.8 7.75 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.479 1.778 . . . . 10.0 110.98 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.03 36.92 0.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 10.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.19 80.6 0.19 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 10.0 109.341 -179.933 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -129.44 2.73 5.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 10.0 110.323 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.411 ' CD ' ' O ' ' A' ' 136' ' ' LYS . 24.6 tt0 61.19 128.08 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 10.0 110.299 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.417 ' NH2' ' OD2' ' A' ' 124' ' ' ASP . 55.7 mtm180 49.8 90.72 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 10.0 110.32 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.517 ' CG ' ' HD3' ' A' ' 74' ' ' PRO . 2.6 t-80 -114.98 -12.94 11.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 10.0 109.586 -179.965 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 53.9 t -107.77 -32.66 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 10.0 109.316 179.99 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -90.88 -88.93 1.37 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.479 1.112 . . . . 10.0 110.992 -179.982 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.55 ' O ' ' CG ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -65.58 -14.3 60.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 0.747 . . . . 10.0 109.324 179.97 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 54.66 -92.65 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 10.0 109.312 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.518 ' O ' ' CD1' ' A' ' 45' ' ' PHE . . . -123.96 169.18 16.06 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.458 1.099 . . . . 10.0 111.027 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -84.21 173.75 10.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 0.799 . . . . 10.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.558 ' HB ' ' CE1' ' A' ' 43' ' ' HIS . 2.6 t -126.42 178.28 4.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 10.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 51.8 m -144.25 134.49 24.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 10.0 110.432 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -85.92 175.19 8.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 10.0 109.293 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.445 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 6.7 t70 -82.21 -97.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 10.0 109.334 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.504 ' CG ' ' O ' ' A' ' 91' ' ' LYS . 9.1 ttpt -138.44 10.61 2.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 10.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -150.41 21.06 0.84 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.562 1.164 . . . . 10.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.432 ' HA3' ' C ' ' A' ' 38' ' ' LEU . . . 89.91 -30.52 5.78 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.525 1.141 . . . . 10.0 110.96 179.911 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.457 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 18.9 t -44.59 104.14 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 0.751 . . . . 10.0 109.257 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -106.92 116.55 32.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 10.0 109.284 179.99 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -108.25 145.09 34.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 10.0 109.267 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 23.9 t -110.65 165.15 6.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 10.0 109.299 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 87.6 p 179.34 93.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 10.0 109.971 179.951 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.2 mt -143.87 173.37 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 10.0 109.277 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -137.3 107.29 6.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 10.0 110.338 179.961 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -111.31 123.06 49.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 10.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.414 ' HB3' ' N ' ' A' ' 28' ' ' PRO . 0.1 OUTLIER -117.13 74.36 0.91 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 10.0 109.976 179.998 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 55.8 t -150.13 -47.25 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 10.0 109.272 179.985 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.467 ' HB ' ' CG2' ' A' ' 112' ' ' ILE . 0.0 OUTLIER -87.47 -169.03 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 10.0 109.307 -179.983 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.425 ' N ' HG12 ' A' ' 104' ' ' ILE . 0.4 OUTLIER -153.38 158.68 41.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 10.0 109.955 -179.977 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -85.65 -43.03 13.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 10.0 109.275 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -148.7 76.0 1.33 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 10.0 110.019 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -148.27 -126.09 1.55 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.587 1.179 . . . . 10.0 111.011 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -94.76 5.51 51.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 0.764 . . . . 10.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 26.4 m-70 -122.87 -56.19 1.77 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.095 . . . . 10.0 109.609 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 7.5 t 45.86 94.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 10.0 110.005 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.467 ' CG2' ' HB ' ' A' ' 104' ' ' ILE . 1.1 pt -90.43 -7.54 10.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 10.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 18.0 mt -49.78 127.76 5.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 10.0 109.285 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 121.37 3.1 10.6 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.462 1.101 . . . . 10.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 30.9 mtt180 -85.27 83.0 8.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 0.734 . . . . 10.0 110.325 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.414 ' O ' HG23 ' A' ' 116' ' ' THR . 9.8 t -55.71 106.28 0.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 10.0 110.366 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.601 HD13 ' CE1' ' A' ' 46' ' ' HIS . 3.8 mm? -61.14 88.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.1 . . . . 10.0 109.267 -180.0 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 3.4 t -84.7 151.09 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 10.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 65.9 t -135.86 127.56 44.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 10.0 109.271 -179.977 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.518 ' CD2' ' HA3' ' A' ' 44' ' ' GLY . 4.9 m-70 -84.78 131.69 34.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 10.0 109.58 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.57 -39.99 50.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 10.0 110.351 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.455 ' CB ' ' HB2' ' A' ' 140' ' ' ALA . 0.6 OUTLIER -120.06 168.85 10.76 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.129 . . . . 10.0 109.258 -179.98 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.401 ' HB3' ' N ' ' A' ' 43' ' ' HIS . . . -94.12 -164.51 1.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 10.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.417 ' OD2' ' NH2' ' A' ' 79' ' ' ARG . 0.5 OUTLIER -152.0 96.23 2.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 10.0 109.287 -179.989 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 126' ' ' LEU . 13.9 m-20 -86.57 48.19 1.6 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 10.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' A' ' 125' ' ' ASP . 2.2 mp 39.42 68.15 0.39 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 10.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . 0.443 ' C ' ' N ' ' A' ' 129' ' ' GLY . . . -93.27 -45.84 3.43 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.53 1.144 . . . . 10.0 110.948 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.49 ' HB2' ' CG2' ' A' ' 135' ' ' THR . 9.0 pttp 41.56 28.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 0.768 . . . . 10.0 109.303 -179.942 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . 0.443 ' N ' ' C ' ' A' ' 127' ' ' GLY . . . -41.09 -40.43 2.4 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.46 1.1 . . . . 10.0 111.062 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -101.67 -134.52 8.49 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.023 -0.831 . . . . 10.0 111.023 179.951 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -154.42 139.47 17.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 0.754 . . . . 10.0 109.333 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 59.82 22.89 11.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 10.0 110.271 -179.977 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -134.52 -80.23 0.45 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 10.0 110.27 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 134' ' ' SER . . . . . 0.421 ' HB3' ' N ' ' A' ' 139' ' ' ASN . 1.2 p -75.09 -27.94 60.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 10.0 110.031 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 135' ' ' THR . . . . . 0.49 ' CG2' ' HB2' ' A' ' 128' ' ' LYS . 17.6 p -46.48 -31.32 2.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 10.0 110.415 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.411 ' O ' ' CD ' ' A' ' 78' ' ' GLU . 5.9 pttt -101.37 -28.34 12.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 10.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 137' ' ' THR . . . . . 0.426 ' OG1' ' N ' ' A' ' 138' ' ' GLY . 68.6 p -123.83 -101.19 0.4 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 10.0 110.372 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . 0.455 ' O ' ' N ' ' A' ' 140' ' ' ALA . . . 173.89 35.26 0.04 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.503 1.127 . . . . 10.0 111.007 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . 0.454 ' C ' ' O ' ' A' ' 138' ' ' GLY . 7.2 t-20 35.94 34.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 0.782 . . . . 10.0 109.307 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 138' ' ' GLY . . . -98.93 -58.75 1.87 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 10.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -167.34 -136.09 1.98 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.488 1.117 . . . . 10.0 111.013 179.978 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 142' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 143' ' ' ARG . 1.0 OUTLIER -176.77 -168.51 0.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 0.795 . . . . 10.0 109.989 179.996 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . 0.497 ' O ' ' CD2' ' A' ' 144' ' ' LEU . 11.0 mtp180 -38.83 145.75 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.087 . . . . 10.0 110.306 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.497 ' CD2' ' O ' ' A' ' 143' ' ' ARG . 0.2 OUTLIER -161.68 28.35 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 10.0 109.303 179.997 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -167.43 169.08 12.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 10.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 146' ' ' CYS . . . . . 1.063 ' SG ' ' SG ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER -155.0 72.58 0.84 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 10.0 108.305 179.985 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -89.51 72.11 2.19 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.464 1.103 . . . . 10.0 111.03 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . 0.409 ' HA ' ' HA ' ' A' ' 116' ' ' THR . 18.8 t -65.31 136.72 26.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.534 0.785 . . . . 10.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 149' ' ' ILE . . . . . 0.469 HG22 ' CB ' ' A' ' 4' ' ' ALA . 1.1 mp -73.74 111.55 9.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 10.0 109.301 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 151' ' ' ILE . . . -120.99 111.7 1.97 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.486 1.116 . . . . 10.0 110.994 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . 0.465 HD12 ' CG2' ' A' ' 2' ' ' THR . 13.8 mm -39.62 142.22 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.765 . . . . 10.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -103.8 168.62 9.02 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.505 1.128 . . . . 10.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 10.0 110.313 -179.979 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 22' ' ' GLN . . . . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.325 -0.62 . . . . 10.0 109.325 . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.501 ' O ' ' CG2' ' A' ' 2' ' ' THR . 0.9 OUTLIER -82.63 78.71 9.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 10.0 110.419 179.994 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -92.39 99.98 12.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 10.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -85.28 149.94 25.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 10.0 109.282 -179.976 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.463 HG23 ' CB ' ' A' ' 152' ' ' ALA . 6.1 t -118.96 151.23 21.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 10.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.467 ' CB ' HG21 ' A' ' 18' ' ' ILE . . . -155.52 86.75 1.08 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 10.0 109.328 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.4 p -84.21 107.42 15.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 10.0 109.289 -179.966 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.489 ' HB2' ' N ' ' A' ' 16' ' ' GLY . 0.8 OUTLIER -56.34 130.97 46.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 10.0 109.356 179.977 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 18.9 tttt -159.1 132.17 7.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 10.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 11' ' ' ASP . . . 176.07 -94.97 0.1 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.475 1.109 . . . . 10.0 111.006 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 10' ' ' GLY . 45.3 t0 -38.43 -63.17 0.52 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 0.749 . . . . 10.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.418 ' N ' ' CD ' ' A' ' 13' ' ' PRO . . . 157.57 -55.79 0.38 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.448 1.092 . . . . 10.0 110.997 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.418 ' CD ' ' N ' ' A' ' 12' ' ' GLY . 18.4 Cg_endo -74.99 -38.5 1.57 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.477 1.777 . . . . 10.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.433 ' CG1' ' HB3' ' A' ' 145' ' ' ALA . 3.2 t -65.14 94.55 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 10.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -119.59 37.77 4.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 10.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.489 ' N ' ' HB2' ' A' ' 8' ' ' LEU . . . -52.42 161.82 2.27 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.531 1.144 . . . . 10.0 110.952 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.411 HG13 ' C ' ' A' ' 16' ' ' GLY . 65.2 mt -142.75 100.84 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.46 0.741 . . . . 10.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.558 HD13 ' CZ ' ' A' ' 20' ' ' PHE . 0.3 OUTLIER -108.28 161.3 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 10.0 109.256 -179.969 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.45 ' N ' ' CG1' ' A' ' 18' ' ' ILE . 0.1 OUTLIER -152.92 157.75 41.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 10.0 109.262 179.99 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.702 ' CE1' ' CG1' ' A' ' 149' ' ' ILE . 6.3 m-85 -129.85 107.04 9.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 10.0 111.025 179.932 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -96.79 148.92 22.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 10.0 110.323 -179.996 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.432 ' O ' ' N ' ' A' ' 1' ' ' ALA . 17.6 tt0 -146.56 82.99 1.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 10.0 110.291 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.8 mttt -76.53 55.94 1.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 10.0 109.309 -180.0 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -156.2 -44.36 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 10.0 110.277 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 75.06 1.76 3.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 10.0 109.983 180.0 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -167.91 31.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 10.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -141.07 -144.03 4.37 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.49 1.119 . . . . 10.0 111.002 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 157.92 42.38 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.492 1.785 . . . . 10.0 110.986 -179.969 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 46.7 t -120.63 114.55 44.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 10.0 109.314 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.6 mttt -76.29 97.27 4.15 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 10.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.452 ' CG2' ' CD2' ' A' ' 20' ' ' PHE . 42.5 t -89.79 142.26 13.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 10.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -167.62 156.55 9.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 10.0 107.976 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.455 ' CA ' ' HA ' ' A' ' 18' ' ' ILE . . . -172.22 -173.98 39.29 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.517 1.136 . . . . 10.0 110.999 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.4 m -156.95 121.28 4.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 0.734 . . . . 10.0 110.026 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.467 ' O ' ' CG ' ' A' ' 36' ' ' LYS . 0.1 OUTLIER -83.98 165.8 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 10.0 109.345 179.978 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.467 ' CG ' ' O ' ' A' ' 35' ' ' ILE . 14.3 mtmt -155.96 109.72 2.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 10.0 109.265 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.454 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 140.07 -45.23 1.01 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.524 1.14 . . . . 10.0 110.969 179.949 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.633 ' CD2' ' CG ' ' A' ' 43' ' ' HIS . 1.7 mp -52.42 -171.66 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 0.746 . . . . 10.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.448 ' O ' ' NE2' ' A' ' 43' ' ' HIS . 17.6 p -133.32 137.93 46.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 10.0 110.401 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 39' ' ' THR . 0.4 OUTLIER -37.17 116.79 0.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 10.0 110.305 179.991 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 151.27 -176.82 29.58 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.443 1.089 . . . . 10.0 110.958 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.493 ' CD2' ' ND2' ' A' ' 86' ' ' ASN . 1.3 mt -75.5 138.68 41.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 0.78 . . . . 10.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.633 ' CG ' ' CD2' ' A' ' 38' ' ' LEU . 58.4 m-70 -133.63 170.63 15.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 10.0 109.614 -179.952 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -86.96 153.92 26.12 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.501 1.126 . . . . 10.0 111.005 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.568 ' CD1' HG11 ' A' ' 87' ' ' VAL . 10.6 t80 -142.67 78.9 1.63 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 0.764 . . . . 10.0 110.981 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.634 ' NE2' ' CD2' ' A' ' 120' ' ' HIS . 2.4 m170 -84.61 176.51 8.55 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 10.0 109.605 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.525 ' CG1' ' O ' ' A' ' 47' ' ' VAL . 24.4 t -139.35 61.31 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 10.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.569 ' CE1' ' HB3' ' A' ' 63' ' ' HIS . 0.1 OUTLIER -36.64 127.6 0.84 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 10.0 109.596 -179.986 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -130.26 128.25 41.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.113 . . . . 10.0 110.327 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.4 ' C ' ' N ' ' A' ' 52' ' ' ASP . 0.8 OUTLIER -149.98 135.36 18.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 10.0 110.334 -179.986 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -42.2 -28.71 0.2 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 10.0 110.292 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.4 ' N ' ' C ' ' A' ' 50' ' ' GLU . 6.2 m-20 -140.24 135.59 32.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 10.0 109.363 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -103.71 59.42 0.74 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 10.0 109.329 -179.976 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.451 ' O ' ' CB ' ' A' ' 55' ' ' ALA . 0.0 OUTLIER -134.06 115.77 14.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.12 . . . . 10.0 110.434 -179.975 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.451 ' CB ' ' O ' ' A' ' 54' ' ' THR . . . 165.57 -53.25 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 10.0 109.317 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.442 ' O ' ' CB ' ' A' ' 57' ' ' CYS . . . 136.22 -57.04 0.68 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.444 1.09 . . . . 10.0 111.03 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.442 ' CB ' ' O ' ' A' ' 56' ' ' GLY . 0.8 OUTLIER 164.52 85.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.287 -1.005 . . . . 10.0 108.287 -179.969 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 68.7 p -120.2 -145.27 0.36 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 10.0 110.377 179.993 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.52 ' HA ' ' CE1' ' A' ' 63' ' ' HIS . 80.9 p -161.47 85.17 0.64 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.13 . . . . 10.0 110.061 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -79.96 -61.87 1.86 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 10.0 109.322 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -172.61 -62.21 0.05 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.479 1.112 . . . . 10.0 110.996 -179.981 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 108.7 2.78 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.494 1.786 . . . . 10.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.569 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 17.4 m170 -136.94 -51.67 0.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 10.0 109.583 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -118.26 -172.2 2.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 10.0 110.993 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -103.31 127.3 29.98 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 10.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 66.62 5.98 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.466 1.772 . . . . 10.0 111.003 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.494 ' CD2' ' C ' ' A' ' 67' ' ' LEU . 3.4 tt -141.58 -47.03 0.37 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 10.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 70' ' ' LYS . 93.8 p -94.87 -127.66 0.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 10.0 110.039 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 17.4 ptt180 38.47 29.93 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 10.0 110.316 -179.974 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 68' ' ' SER . 8.5 tttm -129.74 81.08 2.0 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 10.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.485 ' CG ' ' O ' ' A' ' 71' ' ' HIS . 2.5 p80 39.06 39.13 0.36 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 10.0 109.6 179.931 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 66.7 -126.97 27.9 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.5 1.125 . . . . 10.0 110.983 -179.981 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 178.47 -58.61 0.09 OUTLIER Glycine 0 CA--C 1.529 0.962 0 N-CA-C 110.948 -0.861 . . . . 10.0 110.948 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -73.18 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.495 1.787 . . . . 10.0 111.015 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.91 34.35 5.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 10.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 46.86 82.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 10.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.415 ' O ' ' O ' ' A' ' 78' ' ' GLU . 0.4 OUTLIER -120.25 -10.85 9.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 10.0 110.33 179.98 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.415 ' O ' ' O ' ' A' ' 77' ' ' GLU . 13.2 tt0 60.68 138.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 10.0 110.26 179.961 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.455 ' NH2' ' O ' ' A' ' 137' ' ' THR . 2.0 mtt180 52.03 76.2 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 10.0 110.346 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 24.7 p80 -105.96 6.52 31.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 10.0 109.633 -179.97 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 54.9 t -106.44 -84.7 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 10.0 109.297 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -59.34 -51.26 60.22 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.48 1.113 . . . . 10.0 110.999 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.494 ' O ' ' CB ' ' A' ' 84' ' ' LEU . 1.0 OUTLIER -71.86 -52.88 15.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 0.75 . . . . 10.0 109.288 -179.98 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.494 ' CB ' ' O ' ' A' ' 83' ' ' ASP . 0.5 OUTLIER 87.04 -4.24 0.65 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 10.0 109.285 179.964 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 150.64 -153.32 24.95 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.496 1.123 . . . . 10.0 110.996 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.493 ' ND2' ' CD2' ' A' ' 42' ' ' LEU . 31.5 p-10 -121.42 159.13 26.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 0.779 . . . . 10.0 109.259 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.568 HG11 ' CD1' ' A' ' 45' ' ' PHE . 20.8 m -113.8 -167.08 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 10.0 109.334 179.929 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 70.0 m -156.14 148.4 23.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 10.0 110.405 179.963 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.41 ' HB1' ' CA ' ' A' ' 93' ' ' GLY . . . -85.92 175.52 8.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 10.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.449 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 9.3 t70 -77.6 -97.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 10.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.449 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 23.2 mtmt -138.51 10.82 2.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 10.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -155.06 24.42 0.43 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 10.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.428 ' HA3' ' C ' ' A' ' 38' ' ' LEU . . . 93.92 -37.45 3.4 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.473 1.108 . . . . 10.0 110.99 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.457 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 73.8 t -41.02 101.19 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.517 0.775 . . . . 10.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -100.11 115.95 31.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 10.0 109.286 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -107.69 149.87 27.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 10.0 109.266 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.414 ' CG1' ' N ' ' A' ' 98' ' ' SER . 94.6 t -124.87 165.67 21.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 10.0 109.314 179.947 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.414 ' N ' ' CG1' ' A' ' 97' ' ' VAL . 22.2 p -175.61 93.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 10.0 110.023 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 20.9 mt -134.29 153.72 36.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 10.0 109.318 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -132.55 90.16 2.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 10.0 110.341 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -95.61 159.89 14.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 10.0 109.279 -179.941 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -138.42 12.85 2.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 10.0 110.032 179.968 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 49.6 t -97.46 -41.97 11.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.13 . . . . 10.0 109.287 179.995 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.409 ' HB ' ' CG2' ' A' ' 112' ' ' ILE . 0.0 OUTLIER -77.84 -176.96 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 10.0 109.285 -179.984 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.408 ' O ' ' N ' ' A' ' 112' ' ' ILE . 47.1 t -162.82 146.81 11.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 10.0 110.002 -179.972 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.494 ' HG ' ' CG2' ' A' ' 2' ' ' THR . 2.9 mm? -61.76 -41.8 98.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 10.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.29 86.31 1.16 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 10.0 109.97 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -153.25 -116.07 0.62 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.504 1.127 . . . . 10.0 111.015 179.967 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -97.47 6.95 47.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 0.776 . . . . 10.0 109.272 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 64.0 m80 -132.39 -47.68 0.9 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 10.0 109.581 -179.998 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 59.5 p 51.9 87.62 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.453 1.096 . . . . 10.0 109.953 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.468 ' CG1' HD13 ' A' ' 106' ' ' LEU . 35.9 pt -88.72 -5.69 10.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 10.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 9.9 mm -56.34 113.54 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 10.0 109.265 -179.968 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 104.83 41.86 1.91 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.468 1.105 . . . . 10.0 111.032 -179.996 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.426 ' O ' ' N ' ' A' ' 117' ' ' LEU . 5.1 mtm180 -83.9 69.17 10.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 0.783 . . . . 10.0 110.304 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.511 ' CG2' ' CB ' ' A' ' 146' ' ' CYS . 87.6 m -62.66 80.47 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 10.0 110.422 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.517 ' CD1' ' CE1' ' A' ' 45' ' ' PHE . 0.1 OUTLIER -73.89 117.44 15.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 10.0 109.285 179.978 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.472 ' CG1' ' O ' ' A' ' 145' ' ' ALA . 1.5 t -114.92 122.66 69.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 10.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 30.1 m -82.52 149.16 4.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 10.0 109.293 -179.965 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.634 ' CD2' ' NE2' ' A' ' 46' ' ' HIS . 0.3 OUTLIER -84.82 151.98 23.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 10.0 109.622 -179.973 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.56 -14.27 12.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 10.0 110.298 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 1.8 tmtt? -149.52 -179.19 6.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.16 . . . . 10.0 109.293 -180.0 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -69.25 166.84 17.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 10.0 109.259 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.433 ' OD1' ' N ' ' A' ' 124' ' ' ASP . 0.0 OUTLIER -45.02 -90.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 10.0 109.285 179.991 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . 0.433 ' OD1' ' CB ' ' A' ' 134' ' ' SER . 8.1 t70 -175.34 -39.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 10.0 109.271 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 3.7 mt 50.09 22.65 0.96 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 10.0 109.246 179.961 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 84.92 105.88 0.64 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.52 1.137 . . . . 10.0 110.991 -179.991 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 1.4 mttm -92.92 -84.37 0.29 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 0.785 . . . . 10.0 109.317 179.962 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 169.05 -34.61 0.19 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.526 1.141 . . . . 10.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -61.94 -166.56 0.49 Allowed Glycine 0 CA--C 1.529 0.967 0 N-CA-C 110.961 -0.855 . . . . 10.0 110.961 -179.974 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 19.7 m-80 -152.37 138.04 17.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 0.735 . . . . 10.0 109.303 -179.996 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 68.8 13.7 8.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 10.0 110.333 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.05 -64.78 0.94 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 10.0 110.312 179.964 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 134' ' ' SER . . . . . 0.52 ' HA ' ' CA ' ' A' ' 138' ' ' GLY . 0.0 OUTLIER -91.88 -18.0 24.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 10.0 109.984 -179.984 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 75.0 p -82.78 7.95 13.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.414 1.071 . . . . 10.0 110.346 -179.947 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -127.8 -53.72 1.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 10.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 137' ' ' THR . . . . . 0.455 ' O ' ' NH2' ' A' ' 79' ' ' ARG . 27.0 p -114.37 -22.47 9.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 10.0 110.395 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . 0.52 ' CA ' ' HA ' ' A' ' 134' ' ' SER . . . 96.55 15.26 41.11 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.541 1.151 . . . . 10.0 110.978 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . 0.483 ' CB ' ' O ' ' A' ' 138' ' ' GLY . 2.5 t-20 81.59 -3.7 1.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 0.744 . . . . 10.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -123.87 79.92 1.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 10.0 109.281 -179.969 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . 0.591 ' HA2' ' CE1' ' A' ' 120' ' ' HIS . . . -117.65 111.88 2.32 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.544 1.153 . . . . 10.0 111.014 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 142' ' ' SER . . . . . 0.405 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 0.4 OUTLIER 165.43 97.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 0.787 . . . . 10.0 110.041 -179.982 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . 0.467 ' CB ' HG12 ' A' ' 118' ' ' VAL . 0.0 OUTLIER -46.59 161.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 10.0 110.295 -179.981 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 94.6 mt -123.29 -76.58 0.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 10.0 109.265 -179.966 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . 0.472 ' O ' ' CG1' ' A' ' 118' ' ' VAL . . . -118.2 176.22 5.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 10.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 146' ' ' CYS . . . . . 0.511 ' CB ' ' CG2' ' A' ' 116' ' ' THR . 0.5 OUTLIER -149.22 70.4 1.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 10.0 108.316 179.983 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . 0.43 ' O ' ' HB ' ' A' ' 148' ' ' VAL . . . -37.98 -58.68 1.52 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.539 1.15 . . . . 10.0 110.979 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . 0.506 ' CG2' ' OG1' ' A' ' 116' ' ' THR . 85.9 t 68.15 115.03 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 0.78 . . . . 10.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 149' ' ' ILE . . . . . 0.702 ' CG1' ' CE1' ' A' ' 20' ' ' PHE . 1.7 mp -69.57 135.55 28.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 10.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 151' ' ' ILE . . . -144.86 110.76 0.57 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.533 1.146 . . . . 10.0 110.987 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . 0.433 ' CD1' HG21 ' A' ' 2' ' ' THR . 16.2 mm -39.38 145.46 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.498 0.764 . . . . 10.0 109.277 179.959 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . 0.463 ' CB ' HG23 ' A' ' 5' ' ' VAL . . . -143.13 168.26 20.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 10.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 10.0 110.29 -179.982 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.528 ' N ' ' O ' ' A' ' 22' ' ' GLN . . . . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.31 -0.626 . . . . 10.0 109.31 . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.406 ' O ' ' HA ' ' A' ' 21' ' ' GLU . 19.7 m -134.03 175.43 9.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 10.0 110.425 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.53 90.99 5.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 10.0 109.268 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.465 ' CB ' ' CG2' ' A' ' 149' ' ' ILE . . . -84.46 155.16 22.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 10.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.454 ' CG2' ' CB ' ' A' ' 152' ' ' ALA . 0.8 OUTLIER -135.52 142.73 38.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 10.0 109.279 179.999 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' A' ' 147' ' ' GLY . . . -138.73 92.79 2.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 10.0 109.327 -179.943 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.4 p -83.45 97.57 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 10.0 109.28 -179.952 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.471 ' HB2' ' N ' ' A' ' 16' ' ' GLY . 1.3 mm? -42.77 139.85 1.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 10.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.4 tmtt? -173.34 120.88 0.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.436 1.085 . . . . 10.0 109.321 -179.978 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -179.88 -85.35 0.06 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.501 1.126 . . . . 10.0 111.019 -179.977 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -40.02 -47.34 2.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 0.767 . . . . 10.0 109.268 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 128.27 -57.03 0.72 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.516 1.135 . . . . 10.0 111.007 -179.946 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.447 ' O ' ' NE2' ' A' ' 15' ' ' GLN . 18.3 Cg_endo -75.04 -32.24 5.49 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.488 1.783 . . . . 10.0 111.016 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.528 ' O ' ' CG1' ' A' ' 14' ' ' VAL . 0.4 OUTLIER -81.99 113.38 21.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 10.0 109.313 179.98 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.447 ' NE2' ' O ' ' A' ' 13' ' ' PRO . 0.0 OUTLIER -132.9 56.44 1.85 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 10.0 110.316 -179.994 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.496 ' CA ' ' HA ' ' A' ' 35' ' ' ILE . . . -65.3 167.0 32.87 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.5 1.125 . . . . 10.0 111.026 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 24.6 mt -139.64 108.89 3.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 0.769 . . . . 10.0 109.291 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.55 ' C ' ' CD1' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -132.1 134.47 59.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 10.0 109.303 179.983 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.447 ' OD1' ' N ' ' A' ' 19' ' ' ASN . 0.0 OUTLIER -125.94 163.32 23.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 10.0 109.299 179.993 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.592 ' CE1' ' CG1' ' A' ' 31' ' ' VAL . 2.1 m-85 -131.53 104.0 6.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 10.0 111.039 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.406 ' HA ' ' O ' ' A' ' 2' ' ' THR . 50.1 tt0 -114.72 118.59 34.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 10.0 110.307 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.528 ' O ' ' N ' ' A' ' 1' ' ' ALA . 1.1 tt0 -140.5 58.34 1.57 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 10.0 110.28 -179.968 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.5 mtmt -77.47 71.17 3.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 10.0 109.322 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.471 ' O ' ' CB ' ' A' ' 25' ' ' SER . 0.0 OUTLIER -134.65 -47.78 0.75 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 10.0 110.323 -179.972 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.471 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 2.3 m 83.28 -8.32 1.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 10.0 110.004 179.973 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 39.1 p-10 -167.23 31.21 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 10.0 109.317 179.94 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -132.11 -172.62 13.1 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.511 1.132 . . . . 10.0 111.017 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 154.98 42.76 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.491 1.785 . . . . 10.0 110.995 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.454 HG21 ' CB ' ' A' ' 22' ' ' GLN . 78.1 t -97.56 117.74 42.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 10.0 109.257 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.6 mttt -74.08 92.6 2.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.437 1.086 . . . . 10.0 109.293 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.592 ' CG1' ' CE1' ' A' ' 20' ' ' PHE . 87.8 t -98.23 112.9 31.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.145 . . . . 10.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -141.21 155.72 46.01 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.977 -1.12 . . . . 10.0 107.977 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -177.17 179.64 47.92 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.51 1.131 . . . . 10.0 111.03 179.978 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 9.3 m -157.17 118.74 3.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 0.742 . . . . 10.0 110.031 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.496 ' HA ' ' CA ' ' A' ' 16' ' ' GLY . 0.2 OUTLIER -84.23 162.94 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 10.0 109.287 -179.961 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.482 ' CG ' ' O ' ' A' ' 35' ' ' ILE . 14.0 mttt -155.98 102.37 2.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 10.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.459 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 141.29 -38.91 1.48 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.455 1.097 . . . . 10.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.581 HD23 ' CD2' ' A' ' 43' ' ' HIS . 0.5 OUTLIER -53.55 -167.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 0.745 . . . . 10.0 109.254 -179.95 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.401 ' O ' ' CE1' ' A' ' 43' ' ' HIS . 50.1 p -130.08 146.46 51.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 10.0 110.387 -179.948 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.478 ' HA ' ' CB ' ' A' ' 89' ' ' ALA . 3.3 pt-20 -54.89 111.09 0.76 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 10.0 110.277 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 154.64 162.45 11.21 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.504 1.127 . . . . 10.0 111.001 180.0 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.7 mt -56.6 142.52 39.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 0.764 . . . . 10.0 109.277 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.581 ' CD2' HD23 ' A' ' 38' ' ' LEU . 40.7 m-70 -123.08 174.8 7.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 10.0 109.66 179.95 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -85.14 -179.37 50.9 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.441 1.088 . . . . 10.0 110.992 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.591 ' CE1' ' CG ' ' A' ' 86' ' ' ASN . 22.8 m-85 -82.98 173.53 11.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 0.776 . . . . 10.0 111.005 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.482 ' CB ' ' HG ' ' A' ' 117' ' ' LEU . 0.0 OUTLIER -104.92 167.64 9.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 10.0 109.589 -179.999 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 42.5 t 62.89 143.91 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 10.0 109.318 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.526 ' CG ' ' O ' ' A' ' 48' ' ' HIS . 21.5 p-80 -175.43 59.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 10.0 109.555 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 48' ' ' HIS . 3.5 pt-20 33.04 61.4 0.4 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 10.0 110.267 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.412 ' HG3' ' N ' ' A' ' 51' ' ' GLU . 20.6 tp10 -38.78 158.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 10.0 110.288 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.412 ' N ' ' HG3' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -127.27 -77.61 0.58 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 10.0 110.306 179.99 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -170.01 100.49 0.29 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 10.0 109.286 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 24.8 m-20 -178.81 44.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 10.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.407 ' O ' ' CB ' ' A' ' 55' ' ' ALA . 1.3 t -147.22 -56.55 0.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 10.0 110.424 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.407 ' CB ' ' O ' ' A' ' 54' ' ' THR . . . 78.0 -56.34 0.49 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 10.0 109.269 179.943 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -78.21 57.0 4.04 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.498 1.124 . . . . 10.0 111.006 -179.966 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -170.21 149.5 3.49 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.355 -0.98 . . . . 10.0 108.355 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.447 ' O ' ' CB ' ' A' ' 59' ' ' SER . 1.8 p -92.83 -70.79 0.68 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.546 1.154 . . . . 10.0 110.388 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.447 ' CB ' ' O ' ' A' ' 58' ' ' THR . 0.7 OUTLIER 82.38 95.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 10.0 109.994 179.997 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.08 -51.55 69.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 10.0 109.293 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.432 ' O ' ' CE2' ' A' ' 64' ' ' PHE . . . -141.34 90.88 0.18 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.479 1.112 . . . . 10.0 110.983 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 56.65 4.32 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.518 1.799 . . . . 10.0 110.995 -179.966 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 69.0 m80 -155.11 90.39 1.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 10.0 109.543 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.432 ' CE2' ' O ' ' A' ' 61' ' ' GLY . 88.5 m-85 -121.95 64.3 0.92 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 10.0 110.982 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.482 ' N ' ' HD3' ' A' ' 66' ' ' PRO . 2.8 m120 -145.76 61.02 7.09 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 10.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.482 ' HD3' ' N ' ' A' ' 65' ' ' ASN . 18.1 Cg_endo -74.96 -44.83 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.46 1.768 . . . . 10.0 110.956 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.497 ' O ' ' O ' ' A' ' 68' ' ' SER . 4.6 mt -116.48 -9.73 11.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 10.0 109.284 -179.937 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.497 ' O ' ' O ' ' A' ' 67' ' ' LEU . 26.1 m -33.3 -94.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 10.0 109.992 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.423 ' CB ' ' O ' ' A' ' 68' ' ' SER . 7.5 mmt180 78.11 -18.63 0.49 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 10.0 110.332 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.453 ' H ' ' C ' ' A' ' 68' ' ' SER . 0.0 OUTLIER 65.54 159.61 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 10.0 109.329 -179.988 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.439 ' N ' ' O ' ' A' ' 135' ' ' THR . 0.1 OUTLIER 68.04 148.92 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 10.0 109.625 179.998 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 90.04 -145.09 17.99 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.518 1.136 . . . . 10.0 111.037 -179.999 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -79.24 141.01 23.56 Favored Glycine 0 CA--C 1.53 1.031 0 N-CA-C 110.979 -0.848 . . . . 10.0 110.979 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -9.03 20.57 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.52 1.8 . . . . 10.0 110.99 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.1 tptm -174.76 35.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 10.0 109.291 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -134.53 -55.69 0.84 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 10.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.495 ' O ' ' CG ' ' A' ' 78' ' ' GLU . 0.3 OUTLIER -106.29 11.64 30.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 10.0 110.281 179.994 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.495 ' CG ' ' O ' ' A' ' 77' ' ' GLU . 2.2 mt-10 172.72 -169.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 10.0 110.288 179.942 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.439 ' O ' ' C ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -106.7 -13.47 15.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 10.0 110.293 -179.986 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.501 ' O ' ' C ' ' A' ' 81' ' ' VAL . 34.2 t-80 36.0 40.22 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 10.0 109.65 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.501 ' C ' ' O ' ' A' ' 80' ' ' HIS . 11.3 p 33.03 88.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 10.0 109.33 -179.959 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 83' ' ' ASP . . . 176.82 -54.68 0.11 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.513 1.133 . . . . 10.0 110.991 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.418 ' C ' ' O ' ' A' ' 82' ' ' GLY . 2.2 p-10 38.61 36.7 0.15 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 0.786 . . . . 10.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.48 ' O ' ' CD1' ' A' ' 45' ' ' PHE . 10.0 tp -165.86 115.26 0.99 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.152 . . . . 10.0 109.235 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.448 ' O ' ' O ' ' A' ' 84' ' ' LEU . . . -41.15 166.69 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.474 1.109 . . . . 10.0 111.01 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.591 ' CG ' ' CE1' ' A' ' 45' ' ' PHE . 65.8 m-20 -83.08 153.6 24.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 0.757 . . . . 10.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 7.7 m -106.34 160.86 5.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 10.0 109.258 -179.966 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 52.3 m -134.27 147.04 50.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 10.0 110.434 179.945 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.478 ' CB ' ' HA ' ' A' ' 40' ' ' GLU . . . -84.28 158.13 21.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 10.0 109.28 -179.959 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.423 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 5.3 t70 -72.16 -96.37 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 10.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.508 ' CG ' ' O ' ' A' ' 91' ' ' LYS . 4.6 tttt -139.62 12.72 2.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 10.0 109.342 180.0 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -148.98 20.23 0.99 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 10.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.46 ' HA3' ' O ' ' A' ' 38' ' ' LEU . . . 88.62 -27.84 6.85 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.539 1.149 . . . . 10.0 110.969 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.454 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 37.0 t -55.21 109.25 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 0.768 . . . . 10.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -107.78 117.47 34.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 10.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -102.05 155.75 17.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 10.0 109.265 -179.974 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.403 HG13 ' N ' ' A' ' 98' ' ' SER . 49.3 t -135.52 154.84 35.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 10.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.403 ' N ' HG13 ' A' ' 97' ' ' VAL . 16.0 p -176.59 93.14 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 10.0 110.027 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.5 mt -140.47 175.35 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 10.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -129.67 100.2 5.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 10.0 110.319 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -97.88 109.8 22.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 10.0 109.291 -179.982 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 95.5 p -104.79 56.05 0.7 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 10.0 109.985 -179.978 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 51.5 t -132.33 -51.39 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 10.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.475 ' HB ' ' CG2' ' A' ' 112' ' ' ILE . 0.0 OUTLIER -96.69 176.62 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.112 . . . . 10.0 109.313 179.975 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.443 ' CB ' ' OE1' ' A' ' 22' ' ' GLN . 53.9 p -170.18 174.98 5.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 10.0 109.991 -179.955 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.514 ' CD2' ' N ' ' A' ' 106' ' ' LEU . 0.1 OUTLIER -101.01 40.55 1.27 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 10.0 109.283 -179.996 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -87.53 -168.53 2.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 10.0 109.995 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -94.25 19.29 54.18 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.492 1.12 . . . . 10.0 110.977 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -136.74 -59.91 0.71 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 0.783 . . . . 10.0 109.314 179.961 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 33.6 m170 -90.09 15.52 10.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.14 . . . . 10.0 109.571 180.0 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -43.76 118.23 1.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 10.0 109.989 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.475 ' CG2' ' HB ' ' A' ' 104' ' ' ILE . 1.6 pp -101.31 -12.68 8.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 10.0 109.36 179.943 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 20.3 mt -48.58 131.95 6.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 10.0 109.269 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 110.41 8.37 25.11 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.488 1.118 . . . . 10.0 110.983 179.968 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 85.4 mtt180 -84.67 90.66 7.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 0.749 . . . . 10.0 110.314 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 55.3 m -61.69 100.25 0.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 10.0 110.422 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.482 ' HG ' ' CB ' ' A' ' 46' ' ' HIS . 0.5 OUTLIER -74.57 110.87 9.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 10.0 109.289 -179.992 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -137.32 107.7 5.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 10.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.479 HG22 ' CD2' ' A' ' 144' ' ' LEU . 33.3 m -72.25 172.62 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 10.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 30.8 m170 -111.73 143.14 43.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 10.0 109.608 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.43 -29.85 11.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 10.0 110.28 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.439 ' CB ' ' HB1' ' A' ' 140' ' ' ALA . 2.5 mttt -141.03 -172.01 3.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 10.0 109.294 -179.938 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.402 ' O ' ' O ' ' A' ' 138' ' ' GLY . . . -99.7 -173.58 2.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 10.0 109.343 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.404 ' OD1' ' CA ' ' A' ' 126' ' ' LEU . 4.1 p30 -111.79 -5.13 14.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.157 . . . . 10.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 61.82 30.75 18.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 10.0 109.295 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.404 ' CA ' ' OD1' ' A' ' 124' ' ' ASP . 19.1 mt 52.78 21.61 2.0 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.502 1.126 . . . . 10.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 108.34 121.98 4.64 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.479 1.112 . . . . 10.0 111.021 -179.945 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 1.2 mttm -74.76 -48.23 26.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 0.797 . . . . 10.0 109.352 179.946 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 152.49 -45.28 0.6 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.475 1.109 . . . . 10.0 111.031 179.966 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -84.55 137.54 15.88 Favored Glycine 0 CA--C 1.529 0.953 0 N-CA-C 110.991 -0.844 . . . . 10.0 110.991 -179.982 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . 0.413 ' O ' ' CB ' ' A' ' 132' ' ' GLU . 0.5 OUTLIER -90.15 89.66 7.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 0.747 . . . . 10.0 109.318 -179.999 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . 0.413 ' CB ' ' O ' ' A' ' 131' ' ' ASN . 0.8 OUTLIER 166.94 41.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 10.0 110.247 -179.978 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -177.84 -65.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 10.0 110.279 179.928 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 72.1 p -85.84 -22.43 27.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 10.0 110.036 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 135' ' ' THR . . . . . 0.439 ' O ' ' N ' ' A' ' 71' ' ' HIS . 2.4 p -77.21 -14.52 59.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 10.0 110.375 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 18.9 mtmt -109.33 -32.98 6.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 10.0 109.317 -179.982 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 137' ' ' THR . . . . . 0.444 ' OG1' ' N ' ' A' ' 138' ' ' GLY . 69.4 p -138.89 -94.32 0.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 10.0 110.381 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . 0.444 ' N ' ' OG1' ' A' ' 137' ' ' THR . . . -177.09 34.93 0.08 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.512 1.132 . . . . 10.0 111.001 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 44.9 t30 44.32 26.91 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 0.767 . . . . 10.0 109.282 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.439 ' HB1' ' CB ' ' A' ' 122' ' ' LYS . . . -179.47 40.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 10.0 109.273 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -93.81 89.1 1.26 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.522 1.139 . . . . 10.0 110.984 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 142' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 143' ' ' ARG . 5.2 t -89.0 -9.68 50.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 0.758 . . . . 10.0 109.976 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 142' ' ' SER . 0.0 OUTLIER 37.02 88.53 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 10.0 110.319 -179.999 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.535 ' N ' ' CD1' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -117.57 161.56 19.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 10.0 109.316 179.995 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . 59.96 173.16 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 10.0 109.324 -179.939 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 146' ' ' CYS . . . . . 0.421 ' O ' ' N ' ' A' ' 148' ' ' VAL . 26.6 p -156.23 67.85 0.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 10.0 108.285 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . 0.494 ' O ' ' CB ' ' A' ' 6' ' ' ALA . . . -67.56 61.94 0.29 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.498 1.124 . . . . 10.0 110.999 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . 0.421 ' N ' ' O ' ' A' ' 146' ' ' CYS . 2.4 t -59.35 132.36 24.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.52 0.776 . . . . 10.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 149' ' ' ILE . . . . . 0.465 ' CG2' ' CB ' ' A' ' 4' ' ' ALA . 11.7 mm -75.45 106.34 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 10.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -119.39 137.59 12.7 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.536 1.147 . . . . 10.0 111.002 -179.962 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 27.0 mm -58.56 148.54 6.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 0.771 . . . . 10.0 109.326 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . 0.454 ' CB ' ' CG2' ' A' ' 5' ' ' VAL . . . -147.32 168.94 20.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 10.0 109.332 -179.95 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 10.0 110.317 -179.992 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.32 -0.622 . . . . 10.0 109.32 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.45 HG21 ' CD1' ' A' ' 151' ' ' ILE . 83.9 m -155.02 86.31 1.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 10.0 110.404 179.959 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 32.4 tttt -107.62 134.7 50.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 10.0 109.261 -179.988 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.459 ' CB ' ' HB2' ' A' ' 20' ' ' PHE . . . -107.84 163.3 13.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 10.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.507 ' CG2' ' CB ' ' A' ' 152' ' ' ALA . 2.4 t -135.07 153.39 34.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 10.0 109.263 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -155.66 89.0 1.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 10.0 109.299 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 8.9 p -83.39 107.31 14.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 10.0 109.289 -179.972 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.473 ' CD2' ' N ' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -54.83 137.64 44.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 10.0 109.313 179.988 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.3 tptm -173.14 128.87 0.46 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 10.0 109.32 179.955 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 179.08 -81.62 0.06 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.446 1.091 . . . . 10.0 111.021 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -44.38 -47.94 9.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 0.765 . . . . 10.0 109.325 179.967 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 134.32 -57.33 0.7 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.514 1.134 . . . . 10.0 111.016 -179.966 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -22.23 15.1 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.509 1.794 . . . . 10.0 110.999 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.5 ' O ' ' CG1' ' A' ' 14' ' ' VAL . 0.4 OUTLIER -88.32 116.04 29.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 10.0 109.326 -179.996 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.78 45.69 2.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 10.0 110.309 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.465 ' CA ' ' HA ' ' A' ' 35' ' ' ILE . . . -53.91 166.55 1.98 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.452 1.095 . . . . 10.0 111.017 179.959 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 31.7 mt -139.54 106.22 2.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.484 0.755 . . . . 10.0 109.346 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.493 ' C ' ' CD1' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -128.69 130.76 68.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 10.0 109.279 -179.972 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.433 ' N ' HD12 ' A' ' 18' ' ' ILE . 1.1 m-20 -123.59 170.9 9.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 10.0 109.274 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.629 ' CE1' ' CG1' ' A' ' 149' ' ' ILE . 21.5 m-85 -124.81 123.61 40.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.088 . . . . 10.0 110.953 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.401 ' O ' ' N ' ' A' ' 30' ' ' LYS . 1.3 tt0 -111.02 132.13 54.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 10.0 110.305 179.961 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.451 ' HG3' ' CG2' ' A' ' 29' ' ' VAL . 2.6 tt0 -155.21 78.73 1.03 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 10.0 110.323 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 54.4 mttt -81.08 64.94 6.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 10.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.491 ' O ' ' CB ' ' A' ' 25' ' ' SER . 0.3 OUTLIER -154.63 -48.15 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 10.0 110.288 -180.0 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 1.9 t 85.15 -10.18 0.81 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 10.0 110.021 -179.978 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 18.1 p-10 -157.37 26.17 0.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 10.0 109.26 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -126.17 -152.79 8.21 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.496 1.123 . . . . 10.0 110.997 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.464 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 18.2 Cg_endo -74.98 163.07 36.1 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.541 1.811 . . . . 10.0 110.997 -179.958 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.451 ' CG2' ' HG3' ' A' ' 22' ' ' GLN . 41.6 t -125.69 108.81 20.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 10.0 109.349 179.966 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.401 ' N ' ' O ' ' A' ' 21' ' ' GLU . 27.8 mttt -75.44 93.11 2.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 10.0 109.295 -179.95 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.541 HG23 ' CD2' ' A' ' 20' ' ' PHE . 16.6 t -90.01 128.82 41.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 10.0 109.326 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 8.0 p90 -157.02 154.67 29.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 10.0 107.981 179.964 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -169.3 -169.62 32.85 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.498 1.124 . . . . 10.0 110.976 -179.972 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 43.7 m -157.48 123.02 4.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 0.782 . . . . 10.0 109.979 -179.971 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.71 ' CD1' ' CE2' ' A' ' 45' ' ' PHE . 0.1 OUTLIER -84.84 164.4 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 10.0 109.329 179.974 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.491 ' CG ' ' O ' ' A' ' 35' ' ' ILE . 22.0 mtmt -156.55 112.91 3.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 10.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.433 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 128.45 -37.0 2.34 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.477 1.111 . . . . 10.0 110.962 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.567 ' CD2' ' CG ' ' A' ' 43' ' ' HIS . 0.2 OUTLIER -53.85 -169.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 0.748 . . . . 10.0 109.271 -179.944 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.457 ' OG1' ' NE2' ' A' ' 43' ' ' HIS . 23.8 p -131.21 141.24 50.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.112 . . . . 10.0 110.352 -179.947 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.469 ' HA ' ' CB ' ' A' ' 89' ' ' ALA . 0.2 OUTLIER -44.38 123.8 3.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 10.0 110.301 179.991 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 127.54 162.21 11.04 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.512 1.133 . . . . 10.0 111.02 179.992 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.507 ' O ' ' CB ' ' A' ' 123' ' ' ALA . 1.0 OUTLIER -47.14 145.32 2.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 0.768 . . . . 10.0 109.303 -179.993 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.567 ' CG ' ' CD2' ' A' ' 38' ' ' LEU . 14.1 m-70 -155.16 159.34 40.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 10.0 109.604 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.81 151.42 25.44 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.496 1.122 . . . . 10.0 110.956 179.99 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.71 ' CE2' ' CD1' ' A' ' 35' ' ' ILE . 0.1 OUTLIER 175.9 79.29 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 0.764 . . . . 10.0 110.992 179.994 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.457 ' HA ' ' CD1' ' A' ' 117' ' ' LEU . 3.8 p80 -172.46 175.16 3.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 10.0 109.56 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.463 ' CG2' ' HD3' ' A' ' 115' ' ' ARG . 41.7 t -68.18 84.49 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.125 . . . . 10.0 109.309 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -132.1 94.32 3.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.54 1.15 . . . . 10.0 109.619 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -133.49 82.01 1.96 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 10.0 110.308 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -92.71 62.19 3.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 10.0 110.346 179.987 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 65.86 -97.85 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 10.0 110.343 -179.947 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 t0 72.7 175.09 0.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 10.0 109.307 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -128.56 23.84 5.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 10.0 109.322 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -130.45 116.65 18.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 10.0 110.433 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 172.03 115.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 10.0 109.31 -179.988 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -108.79 56.23 0.48 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.434 1.084 . . . . 10.0 111.016 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 1.334 ' SG ' ' SG ' ' A' ' 146' ' ' CYS . 0.0 OUTLIER -126.65 -157.44 0.8 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.299 -1.0 . . . . 10.0 108.299 179.979 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 71.5 p -89.72 -141.54 0.15 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 10.0 110.402 179.985 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -143.01 71.67 1.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 10.0 109.995 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.464 ' CB ' HG13 ' A' ' 148' ' ' VAL . . . -76.05 -65.03 0.96 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 10.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 137.24 121.59 2.04 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.467 1.104 . . . . 10.0 111.013 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 155.91 43.04 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.498 1.788 . . . . 10.0 111.036 179.962 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.565 ' O ' ' CG ' ' A' ' 64' ' ' PHE . 8.1 t-160 -84.07 -72.45 0.46 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 10.0 109.624 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.565 ' CG ' ' O ' ' A' ' 63' ' ' HIS . 0.2 OUTLIER 159.16 -167.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 10.0 111.009 179.961 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -94.64 161.18 29.7 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 10.0 109.274 -179.943 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.496 ' HA ' ' CG1' ' A' ' 81' ' ' VAL . 18.2 Cg_endo -74.99 -28.7 8.95 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.503 1.791 . . . . 10.0 110.961 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.408 ' CB ' ' O ' ' A' ' 66' ' ' PRO . 0.8 OUTLIER 81.02 -8.89 1.38 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 10.0 109.31 -179.994 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.5 m -107.58 -18.54 13.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 10.0 110.012 -179.987 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.479 ' CZ ' ' HB3' ' A' ' 69' ' ' ARG . 5.4 mmm180 -70.34 58.55 0.18 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.559 1.162 . . . . 10.0 110.298 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.05 75.02 8.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 10.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.561 ' CE1' ' HA2' ' A' ' 129' ' ' GLY . 2.5 t-80 57.25 72.56 0.51 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 10.0 109.605 -179.976 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 158.93 -135.96 4.46 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.49 1.118 . . . . 10.0 111.017 -179.963 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.442 ' O ' ' O ' ' A' ' 78' ' ' GLU . . . 159.05 -107.75 0.33 Allowed Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.027 -0.829 . . . . 10.0 111.027 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.405 ' HD3' ' HA3' ' A' ' 73' ' ' GLY . 18.3 Cg_endo -75.05 51.34 2.78 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.467 1.772 . . . . 10.0 110.999 179.971 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 26.2 mmmt -111.53 -55.73 2.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 10.0 109.267 -179.987 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -130.44 -82.63 0.54 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 10.0 109.293 -179.964 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -125.87 1.54 7.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 10.0 110.282 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.442 ' O ' ' O ' ' A' ' 73' ' ' GLY . 1.3 mp0 -64.66 140.0 58.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 10.0 110.278 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.409 ' CZ ' ' O ' ' A' ' 79' ' ' ARG . 4.5 tmm_? 63.72 99.95 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 10.0 110.231 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 177.4 36.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 10.0 109.622 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.496 ' CG1' ' HA ' ' A' ' 66' ' ' PRO . 2.6 t -133.63 -44.83 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 10.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -146.58 -44.51 0.04 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.522 1.139 . . . . 10.0 111.002 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.453 ' OD1' ' N ' ' A' ' 85' ' ' GLY . 13.4 t0 -63.34 134.95 56.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 0.765 . . . . 10.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.429 ' O ' ' O ' ' A' ' 85' ' ' GLY . 0.2 OUTLIER -110.75 62.77 0.61 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 10.0 109.312 -179.998 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.453 ' N ' ' OD1' ' A' ' 83' ' ' ASP . . . 45.39 -174.06 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.503 1.127 . . . . 10.0 111.009 -179.948 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.413 ' OD1' ' CD2' ' A' ' 46' ' ' HIS . 6.3 m-20 -111.21 175.33 5.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 0.788 . . . . 10.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.544 HG22 ' CD2' ' A' ' 45' ' ' PHE . 2.7 t -127.31 174.04 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 10.0 109.245 -179.957 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 90.3 m -123.9 149.58 45.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 10.0 110.394 -179.984 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.469 ' CB ' ' HA ' ' A' ' 40' ' ' GLU . . . -84.88 167.6 15.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 10.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.439 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 12.6 t0 -80.29 -97.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 10.0 109.335 179.961 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.439 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 41.7 pttt -136.98 10.08 3.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 10.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -150.0 22.25 0.87 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 10.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.411 ' HA2' ' CB ' ' A' ' 89' ' ' ALA . . . 89.43 -30.78 5.47 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.538 1.148 . . . . 10.0 110.983 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.443 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 18.3 t -45.48 109.1 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.488 0.757 . . . . 10.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -111.04 116.61 31.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 10.0 109.316 179.998 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -107.38 149.63 27.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 10.0 109.281 -179.992 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 60.3 t -127.12 158.84 37.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 10.0 109.292 179.956 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 97.8 p -168.89 90.81 0.24 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 10.0 109.986 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 13.3 mt -126.39 147.54 31.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 10.0 109.343 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -129.77 89.29 2.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.118 . . . . 10.0 110.299 -179.951 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.464 ' O ' ' CB ' ' A' ' 28' ' ' PRO . 58.8 m-20 -95.75 160.55 14.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 10.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 44.2 p -119.64 -47.38 2.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 10.0 109.996 -179.997 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 40.2 t -44.91 -54.04 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 10.0 109.32 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.512 ' C ' ' CD1' ' A' ' 104' ' ' ILE . 1.7 pp -66.13 168.26 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 10.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.414 ' OG ' ' N ' ' A' ' 106' ' ' LEU . 0.0 OUTLIER -177.8 -175.67 0.52 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 10.0 109.974 179.967 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.414 ' N ' ' OG ' ' A' ' 105' ' ' SER . 5.8 mp -112.6 27.17 9.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 10.0 109.285 -179.94 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.406 ' O ' ' N ' ' A' ' 109' ' ' ASP . 16.9 m -97.62 161.91 13.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 10.0 110.015 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -65.65 74.97 0.1 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.536 1.148 . . . . 10.0 110.952 -179.978 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 107' ' ' SER . 2.0 m-20 173.31 -56.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 0.768 . . . . 10.0 109.28 179.947 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 52.8 m80 -109.0 13.47 24.65 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.542 1.151 . . . . 10.0 109.586 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 22.9 p -43.79 116.05 0.91 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 10.0 109.988 -179.977 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.471 ' CD1' ' CE2' ' A' ' 20' ' ' PHE . 1.1 pt -88.25 -14.32 9.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 10.0 109.258 -179.961 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 4.8 mt -55.9 132.81 19.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 10.0 109.316 179.953 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 111.48 5.38 26.22 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.48 1.112 . . . . 10.0 110.967 179.968 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.463 ' HD3' ' CG2' ' A' ' 47' ' ' VAL . 8.2 mtt85 -84.71 117.48 23.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 0.778 . . . . 10.0 110.33 179.951 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.448 ' CG2' HG22 ' A' ' 148' ' ' VAL . 5.5 m -97.88 86.8 3.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 10.0 110.374 -179.98 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.457 ' CD1' ' HA ' ' A' ' 46' ' ' HIS . 4.5 mm? -66.48 77.98 0.1 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 10.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.415 HG11 ' N ' ' A' ' 119' ' ' VAL . 91.7 t -81.49 142.35 13.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 10.0 109.335 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.415 ' N ' HG11 ' A' ' 118' ' ' VAL . 33.1 m -107.58 156.59 8.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 10.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 36.9 m170 -104.55 147.51 27.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 10.0 109.548 -179.96 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.64 -26.42 63.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 10.0 110.314 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 2.7 mmtt -142.28 168.44 19.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 10.0 109.331 179.979 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.507 ' CB ' ' O ' ' A' ' 42' ' ' LEU . . . -73.3 130.61 40.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 10.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 21.0 p-10 -60.19 -15.86 27.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 10.0 109.317 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 61.62 22.64 13.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 10.0 109.327 -179.976 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.3 mt 58.58 16.93 4.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.158 . . . . 10.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 96.09 128.36 5.66 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.554 1.159 . . . . 10.0 111.036 -179.949 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.62 -29.93 14.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 0.792 . . . . 10.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . 0.561 ' HA2' ' CE1' ' A' ' 71' ' ' HIS . . . 119.95 2.48 12.59 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.512 1.133 . . . . 10.0 111.003 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 129' ' ' GLY . . . -57.74 -156.42 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.014 -0.834 . . . . 10.0 111.014 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . 0.427 ' O ' ' CB ' ' A' ' 132' ' ' GLU . 72.9 m-80 -152.59 127.52 9.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 0.758 . . . . 10.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . 0.427 ' CB ' ' O ' ' A' ' 131' ' ' ASN . 4.3 tt0 80.71 -2.58 1.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 10.0 110.321 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -120.07 -52.71 2.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 10.0 110.317 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 5.9 p -80.78 -35.23 33.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.143 . . . . 10.0 110.029 179.924 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -61.12 -13.9 20.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 10.0 110.38 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 33.9 mttt -114.64 -52.44 2.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 10.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 37.4 p -123.34 -96.04 0.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 10.0 110.397 179.999 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . 0.408 ' C ' ' N ' ' A' ' 140' ' ' ALA . . . -171.64 35.95 0.16 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.549 1.156 . . . . 10.0 111.039 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 42.41 30.6 0.22 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 0.743 . . . . 10.0 109.334 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.408 ' N ' ' C ' ' A' ' 138' ' ' GLY . . . -92.81 -60.94 1.69 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.488 1.118 . . . . 10.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -157.92 -108.69 0.27 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.517 1.136 . . . . 10.0 111.038 179.976 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.88 -160.41 1.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 0.774 . . . . 10.0 109.96 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -93.94 125.01 38.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 10.0 110.273 -179.964 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 28.7 mt -136.51 153.68 50.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 10.0 109.273 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . 0.409 ' HB2' ' CG2' ' A' ' 119' ' ' VAL . . . 72.93 160.95 0.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 10.0 109.257 179.959 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 146' ' ' CYS . . . . . 1.334 ' SG ' ' SG ' ' A' ' 57' ' ' CYS . 7.2 p -154.37 63.76 0.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 10.0 108.272 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -75.78 61.49 2.89 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.512 1.132 . . . . 10.0 111.003 179.963 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . 0.464 HG13 ' CB ' ' A' ' 60' ' ' ALA . 2.3 t -70.15 138.45 22.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.452 0.737 . . . . 10.0 109.288 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 149' ' ' ILE . . . . . 0.629 ' CG1' ' CE1' ' A' ' 20' ' ' PHE . 4.4 mp -71.89 123.41 26.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 10.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -139.71 115.49 1.1 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.459 1.099 . . . . 10.0 111.031 179.962 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . 0.45 ' CD1' HG21 ' A' ' 2' ' ' THR . 21.4 mm -41.52 144.12 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.496 0.762 . . . . 10.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . 0.507 ' CB ' ' CG2' ' A' ' 5' ' ' VAL . . . -143.98 175.04 10.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 10.0 109.323 -179.978 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 3.8 pm0 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 10.0 110.326 179.945 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.473 ' N ' ' O ' ' A' ' 22' ' ' GLN . . . . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.32 -0.622 . . . . 10.0 109.32 . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.78 84.83 7.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 10.0 110.379 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.83 105.16 16.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.091 . . . . 10.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.437 ' CB ' ' HB2' ' A' ' 20' ' ' PHE . . . -84.44 159.1 20.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 10.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.518 ' CG2' ' CB ' ' A' ' 152' ' ' ALA . 1.5 t -131.37 144.04 38.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 10.0 109.266 -179.959 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.501 ' CB ' HG13 ' A' ' 18' ' ' ILE . . . -151.1 88.76 1.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 10.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.471 ' CG2' ' O ' ' A' ' 7' ' ' VAL . 8.4 m -82.55 99.11 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 10.0 109.294 179.951 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.496 ' CD2' ' CG2' ' A' ' 18' ' ' ILE . 3.4 mm? -48.87 140.83 8.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 10.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 26.3 tttt -176.44 140.8 0.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 10.0 109.293 -179.975 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 172.4 -71.01 0.11 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.458 1.099 . . . . 10.0 111.02 179.956 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -63.02 -59.98 4.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 0.752 . . . . 10.0 109.28 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.409 ' N ' ' CD ' ' A' ' 13' ' ' PRO . . . 155.98 -55.88 0.4 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.497 1.123 . . . . 10.0 111.03 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.412 ' O ' ' O ' ' A' ' 36' ' ' LYS . 18.4 Cg_endo -74.99 -31.65 6.05 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.521 1.801 . . . . 10.0 111.036 179.97 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.3 t -76.61 94.95 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 10.0 109.331 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.4 ' HA ' ' O ' ' A' ' 8' ' ' LEU . 0.3 OUTLIER -122.53 36.84 4.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 10.0 110.338 179.999 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.476 ' CA ' ' HB2' ' A' ' 8' ' ' LEU . . . -51.64 166.77 0.8 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.497 1.123 . . . . 10.0 110.995 -179.973 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.432 HG13 ' C ' ' A' ' 16' ' ' GLY . 60.6 mt -143.03 111.48 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 0.765 . . . . 10.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.613 ' CD1' ' CD1' ' A' ' 20' ' ' PHE . 0.5 OUTLIER -105.89 161.1 5.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 10.0 109.336 179.972 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.425 ' N ' ' CD1' ' A' ' 18' ' ' ILE . 0.1 OUTLIER -152.21 120.6 6.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 10.0 109.332 179.996 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.613 ' CD1' ' CD1' ' A' ' 18' ' ' ILE . 2.7 m-30 -103.94 106.61 17.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 10.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -96.71 150.12 21.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 10.0 110.32 179.983 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.473 ' O ' ' N ' ' A' ' 1' ' ' ALA . 47.4 tt0 -137.37 65.15 1.5 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 10.0 110.305 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.6 mttt -76.35 56.62 1.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 10.0 109.27 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -155.46 172.16 18.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 10.0 110.32 179.958 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.7 m -71.11 56.5 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 10.0 110.001 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 63.55 30.59 15.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 10.0 109.292 179.979 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -88.47 -113.57 1.2 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.497 1.123 . . . . 10.0 111.028 179.965 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.453 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 18.1 Cg_endo -75.04 166.15 29.76 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.547 1.814 . . . . 10.0 110.951 -179.97 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.429 ' CG2' ' CD1' ' A' ' 106' ' ' LEU . 21.2 t -128.96 107.55 15.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 10.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.26 96.08 0.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 10.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.553 ' CG2' ' CZ ' ' A' ' 20' ' ' PHE . 32.5 t -84.81 134.24 27.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 10.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -168.03 162.28 13.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 10.0 107.998 179.962 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.62 -170.57 43.59 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.513 1.133 . . . . 10.0 110.993 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.2 t -155.62 118.75 4.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 0.741 . . . . 10.0 110.008 179.969 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.484 ' O ' ' CG ' ' A' ' 36' ' ' LYS . 0.1 OUTLIER -84.07 165.43 2.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.121 . . . . 10.0 109.301 179.998 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.484 ' CG ' ' O ' ' A' ' 35' ' ' ILE . 35.0 mttt -155.49 115.07 3.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 10.0 109.33 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.455 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 133.44 -43.02 1.31 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.447 1.092 . . . . 10.0 111.024 -179.983 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.532 HD23 ' CG ' ' A' ' 43' ' ' HIS . 0.2 OUTLIER -52.76 -170.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 0.767 . . . . 10.0 109.283 -179.982 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.442 ' OG1' ' NE2' ' A' ' 43' ' ' HIS . 43.4 p -126.34 149.86 48.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 10.0 110.413 -179.954 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.436 ' HA ' ' CB ' ' A' ' 89' ' ' ALA . 0.2 OUTLIER -54.65 124.86 17.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.15 . . . . 10.0 110.283 -179.998 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 131.13 -179.51 16.95 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.519 1.137 . . . . 10.0 111.04 -179.988 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.456 ' CD2' ' ND2' ' A' ' 86' ' ' ASN . 4.6 mp -64.04 140.09 58.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 0.771 . . . . 10.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.532 ' CG ' HD23 ' A' ' 38' ' ' LEU . 75.4 m-70 -152.28 173.99 14.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 10.0 109.599 179.975 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.77 158.08 23.21 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.474 1.109 . . . . 10.0 110.993 179.978 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.561 ' CE1' ' HB3' ' A' ' 117' ' ' LEU . 73.1 t80 178.12 87.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 0.791 . . . . 10.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.477 ' CE1' ' HA ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -154.51 166.4 33.42 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.507 1.129 . . . . 10.0 109.606 179.983 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' A' ' 116' ' ' THR . 41.9 t -76.0 169.58 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.103 . . . . 10.0 109.316 -179.957 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.447 ' HB2' ' CG ' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -149.23 145.23 27.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 10.0 109.585 -179.967 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.85 -59.01 2.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 10.0 110.329 179.975 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -175.42 176.8 1.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 10.0 110.303 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -169.22 -77.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 10.0 110.251 -179.98 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.04 173.48 7.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 10.0 109.281 -179.955 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -101.04 57.13 0.86 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 10.0 109.295 179.972 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 10.8 t -108.89 -44.03 4.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 10.0 110.388 179.981 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 74.31 115.93 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 10.0 109.294 179.974 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -106.17 -47.68 1.06 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.534 1.146 . . . . 10.0 110.978 -179.974 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 55.9 m -141.58 -89.98 0.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.346 -0.983 . . . . 10.0 108.346 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.497 ' O ' ' CB ' ' A' ' 59' ' ' SER . 40.1 p -136.29 -149.13 0.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 10.0 110.364 -180.0 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 58' ' ' THR . 1.0 OUTLIER 160.21 91.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 10.0 110.015 -179.99 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -157.49 80.04 0.88 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 10.0 109.284 179.985 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.499 ' N ' ' CD ' ' A' ' 62' ' ' PRO . . . 161.58 -51.41 0.33 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.512 1.132 . . . . 10.0 110.966 179.951 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.499 ' CD ' ' N ' ' A' ' 61' ' ' GLY . 18.5 Cg_endo -74.92 155.79 43.31 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.482 1.78 . . . . 10.0 110.997 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.431 ' O ' ' CG ' ' A' ' 63' ' ' HIS . 16.8 t-160 -152.51 51.42 0.77 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 10.0 109.647 179.945 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.411 ' HB2' ' CG2' ' A' ' 81' ' ' VAL . 0.4 OUTLIER -161.15 -174.29 4.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 10.0 111.011 179.989 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -88.34 150.71 47.41 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.502 1.126 . . . . 10.0 109.256 -179.965 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.455 ' O ' ' CE1' ' A' ' 46' ' ' HIS . 18.3 Cg_endo -75.02 59.0 5.09 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.504 1.791 . . . . 10.0 110.992 179.965 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.511 ' CD1' ' O ' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -160.79 27.55 0.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 10.0 109.32 179.97 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.474 ' HB3' ' N ' ' A' ' 79' ' ' ARG . 2.9 m 51.0 45.4 27.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 10.0 110.029 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.57 ' O ' ' CG ' ' A' ' 70' ' ' LYS . 0.4 OUTLIER 80.65 -47.3 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 10.0 110.311 -179.966 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.57 ' CG ' ' O ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER 92.7 173.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 10.0 109.348 -179.959 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.596 ' CG ' ' O ' ' A' ' 71' ' ' HIS . 0.0 OUTLIER 64.56 97.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 10.0 109.594 -179.988 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -130.45 -116.48 1.84 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.537 1.148 . . . . 10.0 110.999 179.97 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.596 ' N ' ' CD ' ' A' ' 74' ' ' PRO . . . 150.62 -45.35 0.66 Allowed Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.03 -0.828 . . . . 10.0 111.03 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.596 ' CD ' ' N ' ' A' ' 73' ' ' GLY . 18.2 Cg_endo -75.08 60.66 5.55 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.493 1.786 . . . . 10.0 110.974 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.1 tptt 55.87 31.61 18.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 10.0 109.32 -179.99 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' A' ' 125' ' ' ASP . 0.0 OUTLIER 73.5 95.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 10.0 109.281 179.959 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.433 ' CB ' ' HG2' ' A' ' 74' ' ' PRO . 0.3 OUTLIER -127.74 3.4 6.07 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 10.0 110.281 -179.981 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.484 ' O ' ' CB ' ' A' ' 79' ' ' ARG . 0.1 OUTLIER -47.48 175.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 10.0 110.314 179.971 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.484 ' CB ' ' O ' ' A' ' 78' ' ' GLU . 0.0 OUTLIER 158.35 157.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 10.0 110.321 -179.993 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.523 ' CG ' ' HD2' ' A' ' 69' ' ' ARG . 0.1 OUTLIER 171.53 -33.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 10.0 109.564 -179.978 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.411 ' CG2' ' HB2' ' A' ' 64' ' ' PHE . 25.3 t -122.54 -66.4 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 10.0 109.294 -179.96 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.417 ' O ' ' CB ' ' A' ' 83' ' ' ASP . . . -73.33 -42.74 41.02 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.522 1.139 . . . . 10.0 111.019 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.417 ' CB ' ' O ' ' A' ' 82' ' ' GLY . 0.2 OUTLIER 75.96 165.93 0.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 0.776 . . . . 10.0 109.287 179.976 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 70.11 105.52 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 10.0 109.256 179.98 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -41.72 -73.08 0.23 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.526 1.141 . . . . 10.0 110.978 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.456 ' ND2' ' CD2' ' A' ' 42' ' ' LEU . 1.1 t30 -145.7 151.49 38.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 0.749 . . . . 10.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.452 ' O ' ' ND2' ' A' ' 86' ' ' ASN . 3.1 m -108.78 162.75 6.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 10.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 6.0 m -124.97 141.97 51.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 10.0 110.432 179.947 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.436 ' CB ' ' HA ' ' A' ' 40' ' ' GLU . . . -85.32 172.61 10.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 10.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.459 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 6.3 t0 -82.35 -95.7 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 10.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.459 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 58.6 pttt -139.04 11.67 2.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 10.0 109.331 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -154.66 24.18 0.46 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 10.0 109.354 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.425 ' O ' ' N ' ' A' ' 95' ' ' ALA . . . 89.71 -32.0 5.0 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.46 1.1 . . . . 10.0 110.993 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.472 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 20.4 t -40.73 98.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 0.765 . . . . 10.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 93' ' ' GLY . . . -106.31 116.75 32.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 10.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -108.93 151.82 25.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 10.0 109.317 -179.99 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 44.1 t -120.3 161.94 19.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 10.0 109.29 -179.961 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 18.5 p -170.81 86.58 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 10.0 109.981 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 28.1 mt -134.29 153.87 36.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 10.0 109.275 -179.972 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -128.33 91.45 3.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 10.0 110.32 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.453 ' O ' ' CB ' ' A' ' 28' ' ' PRO . 0.3 OUTLIER -91.88 147.87 22.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 10.0 109.346 179.996 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 10.8 p -125.37 8.76 7.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 10.0 109.977 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 5.5 t -89.45 -53.14 9.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.158 . . . . 10.0 109.344 179.957 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.516 ' C ' ' CD1' ' A' ' 104' ' ' ILE . 1.7 pp -70.06 178.3 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 10.0 109.249 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.87 161.19 36.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 10.0 110.024 179.977 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.429 ' CD1' ' CG2' ' A' ' 29' ' ' VAL . 7.4 mp -83.59 -39.38 20.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 10.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -149.69 113.1 4.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 10.0 109.973 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 173.53 -73.7 0.09 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.446 1.091 . . . . 10.0 111.038 -179.995 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -142.28 -47.35 0.34 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 0.752 . . . . 10.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 26.6 m80 -99.5 47.81 0.95 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 10.0 109.632 179.977 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 92.2 p -48.18 117.5 1.97 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 10.0 110.026 -179.956 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.461 ' CG2' ' HB ' ' A' ' 104' ' ' ILE . 2.2 pp -92.76 -26.28 4.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 10.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.402 ' C ' ' O ' ' A' ' 112' ' ' ILE . 37.5 mm -40.0 104.93 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 10.0 109.25 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 121.91 36.26 0.73 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.483 1.115 . . . . 10.0 110.972 179.949 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.471 ' HB3' ' CD2' ' A' ' 117' ' ' LEU . 0.1 OUTLIER -84.58 105.52 15.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 0.747 . . . . 10.0 110.33 179.984 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.464 ' CG2' ' HB2' ' A' ' 146' ' ' CYS . 11.1 m -90.13 64.9 6.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 10.0 110.348 -179.947 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.561 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 3.9 mm? -51.42 107.14 0.17 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.464 1.103 . . . . 10.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.482 ' CG1' ' HG2' ' A' ' 143' ' ' ARG . 70.0 t -111.62 134.68 53.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 10.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 11.4 m -93.69 135.35 28.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 10.0 109.309 179.983 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.558 ' CE1' ' HA2' ' A' ' 141' ' ' GLY . 0.0 OUTLIER -84.98 146.84 27.01 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.134 . . . . 10.0 109.64 179.982 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.533 ' CG ' ' CB ' ' A' ' 142' ' ' SER . 0.1 OUTLIER -33.79 -50.11 0.35 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.098 . . . . 10.0 110.317 -179.983 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -135.88 -162.23 1.25 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 10.0 109.272 179.946 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -84.38 -175.25 5.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 10.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -136.62 79.07 1.74 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 10.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . 0.403 ' O ' ' OD1' ' A' ' 76' ' ' ASP . 0.3 OUTLIER -61.0 -27.92 68.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 10.0 109.282 179.987 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.465 ' CD2' ' HA ' ' A' ' 135' ' ' THR . 1.9 mt 61.71 14.88 6.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 10.0 109.307 -179.966 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . 0.429 ' O ' ' N ' ' A' ' 130' ' ' GLY . . . -125.6 -76.13 0.26 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.44 1.088 . . . . 10.0 111.014 179.969 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 40.75 35.03 0.29 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 0.768 . . . . 10.0 109.277 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 52.37 46.19 57.89 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.504 1.127 . . . . 10.0 110.99 179.96 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 127' ' ' GLY . . . -174.92 175.78 47.05 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.029 -0.829 . . . . 10.0 111.029 -179.983 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . 0.513 ' O ' ' CB ' ' A' ' 132' ' ' GLU . 2.4 m-80 -151.36 105.02 3.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 0.801 . . . . 10.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . 0.513 ' CB ' ' O ' ' A' ' 131' ' ' ASN . 2.4 mt-10 160.05 -25.51 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 10.0 110.322 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.31 -69.79 0.84 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 10.0 110.264 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 134' ' ' SER . . . . . 0.471 ' HA ' ' CA ' ' A' ' 138' ' ' GLY . 0.0 OUTLIER -65.59 -40.78 93.08 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.491 1.119 . . . . 10.0 110.012 -179.983 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 135' ' ' THR . . . . . 0.465 ' HA ' ' CD2' ' A' ' 126' ' ' LEU . 0.7 OUTLIER -69.23 -4.72 18.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 10.0 110.375 179.987 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -105.17 -51.29 3.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 10.0 109.316 -179.99 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 137' ' ' THR . . . . . 0.5 ' O ' ' CD2' ' A' ' 67' ' ' LEU . 50.3 p -122.83 -34.37 3.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.137 . . . . 10.0 110.395 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . 0.471 ' CA ' ' HA ' ' A' ' 134' ' ' SER . . . 113.9 17.55 7.32 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.452 1.095 . . . . 10.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . 0.442 ' O ' ' ND2' ' A' ' 139' ' ' ASN . 13.3 t30 59.72 71.12 0.59 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 0.761 . . . . 10.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.454 ' O ' ' O ' ' A' ' 141' ' ' GLY . . . -172.43 -68.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 10.0 109.315 -179.962 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . 0.558 ' HA2' ' CE1' ' A' ' 120' ' ' HIS . . . 49.83 105.24 0.01 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.527 1.142 . . . . 10.0 111.0 179.983 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 142' ' ' SER . . . . . 0.533 ' CB ' ' CG ' ' A' ' 121' ' ' GLU . 0.4 OUTLIER 178.91 94.56 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.442 0.731 . . . . 10.0 109.979 179.994 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . 0.482 ' HG2' ' CG1' ' A' ' 118' ' ' VAL . 1.0 OUTLIER -77.46 111.05 12.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 10.0 110.308 179.975 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.429 ' O ' ' CB ' ' A' ' 145' ' ' ALA . 0.4 OUTLIER -142.88 146.44 34.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 10.0 109.315 179.979 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . 0.462 ' O ' ' CG2' ' A' ' 118' ' ' VAL . . . 79.49 143.38 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 10.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 146' ' ' CYS . . . . . 0.464 ' HB2' ' CG2' ' A' ' 116' ' ' THR . 6.5 p -155.46 58.26 0.63 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 10.0 108.291 179.975 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 146' ' ' CYS . . . -36.2 -52.84 1.28 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.462 1.101 . . . . 10.0 111.023 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . 0.409 ' O ' ' HA ' ' A' ' 6' ' ' ALA . 4.1 t 63.94 127.86 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.499 0.764 . . . . 10.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 149' ' ' ILE . . . . . 0.462 HD13 ' CD1' ' A' ' 18' ' ' ILE . 21.5 mm -85.83 128.01 39.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 10.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -140.82 113.42 0.86 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.501 1.125 . . . . 10.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 16.2 mm -41.18 139.61 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.522 0.778 . . . . 10.0 109.309 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . 0.518 ' CB ' ' CG2' ' A' ' 5' ' ' VAL . . . -137.03 165.73 25.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 10.0 109.339 179.955 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 10.0 110.268 -179.959 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.421 ' N ' ' HA ' ' A' ' 23' ' ' LYS . . . . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.253 -0.647 . . . . 10.0 109.253 . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.8 m -102.54 97.96 8.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 10.0 110.4 -179.983 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.15 139.98 30.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 10.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.495 ' CB ' ' HB2' ' A' ' 20' ' ' PHE . . . -122.63 162.81 21.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.137 . . . . 10.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.4 t -131.46 151.67 35.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 10.0 109.301 179.954 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.478 ' O ' ' CG2' ' A' ' 18' ' ' ILE . . . -155.9 88.8 1.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 10.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.1 m -88.79 112.14 23.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 10.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.472 HD11 ' CG1' ' A' ' 35' ' ' ILE . 0.3 OUTLIER -62.79 117.83 6.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 10.0 109.313 179.99 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -150.32 112.19 4.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 10.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.455 ' O ' ' C ' ' A' ' 11' ' ' ASP . . . -167.21 -103.67 0.17 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.521 1.138 . . . . 10.0 110.986 179.947 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.455 ' C ' ' O ' ' A' ' 10' ' ' GLY . 39.6 t0 -35.86 -46.72 0.47 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 0.779 . . . . 10.0 109.34 -179.97 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 134.69 -63.03 0.61 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.499 1.124 . . . . 10.0 111.022 179.962 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.456 ' O ' ' CG2' ' A' ' 14' ' ' VAL . 18.2 Cg_endo -75.02 46.02 1.46 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.458 1.767 . . . . 10.0 111.004 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.456 ' CG2' ' O ' ' A' ' 13' ' ' PRO . 50.5 t -155.11 59.72 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 10.0 109.329 -180.0 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -90.29 53.28 2.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 10.0 110.312 -179.985 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.474 ' CA ' ' HA ' ' A' ' 35' ' ' ILE . . . -74.55 151.66 43.48 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.471 1.107 . . . . 10.0 111.015 179.979 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 91.6 mt -126.9 96.91 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.479 0.753 . . . . 10.0 109.324 -179.986 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.478 ' CG2' ' O ' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -115.24 150.24 17.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 10.0 109.312 -179.999 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.428 ' OD1' ' C ' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -140.87 169.57 17.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 10.0 109.316 179.996 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.531 ' CE1' ' CD1' ' A' ' 149' ' ' ILE . 6.5 m-85 -123.19 143.08 50.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.095 . . . . 10.0 111.021 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -131.45 139.68 49.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 10.0 110.299 -179.973 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.414 ' O ' ' N ' ' A' ' 1' ' ' ALA . 3.3 tt0 -151.45 88.48 1.43 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.561 1.163 . . . . 10.0 110.311 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.421 ' HA ' ' N ' ' A' ' 1' ' ' ALA . 0.1 OUTLIER -87.77 42.57 1.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 10.0 109.29 179.999 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.402 ' HB3' ' N ' ' A' ' 27' ' ' GLY . 7.6 mm-40 -155.51 142.41 19.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.562 1.164 . . . . 10.0 110.299 -179.976 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.86 -2.34 58.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 10.0 109.984 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -163.63 35.08 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 10.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.402 ' N ' ' HB3' ' A' ' 24' ' ' GLU . . . -119.27 -167.86 13.84 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.461 1.101 . . . . 10.0 111.004 179.963 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.479 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 18.3 Cg_endo -75.02 176.59 9.71 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.494 1.786 . . . . 10.0 111.003 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 49.1 t -125.02 103.56 12.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 10.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -69.63 96.0 0.91 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 10.0 109.268 -179.97 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.53 HG12 ' CE1' ' A' ' 20' ' ' PHE . 98.3 t -97.53 142.43 14.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 10.0 109.298 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 7.1 p90 -161.03 149.49 16.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 10.0 108.023 179.989 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.438 ' CA ' ' HA ' ' A' ' 18' ' ' ILE . . . -163.46 -169.64 27.22 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.546 1.153 . . . . 10.0 110.963 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.9 m -157.78 121.47 4.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 0.775 . . . . 10.0 110.034 -179.995 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.499 ' CG2' ' N ' ' A' ' 36' ' ' LYS . 0.4 OUTLIER -84.79 167.42 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 10.0 109.29 -179.964 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.499 ' N ' ' CG2' ' A' ' 35' ' ' ILE . 27.8 mttt -155.78 114.61 3.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 10.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.439 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 132.35 -43.94 1.24 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.498 1.124 . . . . 10.0 111.053 -179.966 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.579 HD23 ' CE1' ' A' ' 43' ' ' HIS . 0.3 OUTLIER -55.54 -164.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 0.753 . . . . 10.0 109.333 179.988 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.9 p -142.7 153.06 43.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 10.0 110.417 179.985 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.482 ' HA ' ' CB ' ' A' ' 89' ' ' ALA . 0.6 OUTLIER -51.94 122.33 8.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 10.0 110.292 179.998 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 146.33 158.34 7.72 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.455 1.097 . . . . 10.0 111.012 179.97 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.07 137.88 58.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 0.764 . . . . 10.0 109.278 -179.94 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.579 ' CE1' HD23 ' A' ' 38' ' ' LEU . 23.3 m170 -123.09 162.54 22.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 10.0 109.654 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.578 ' HA3' ' CD2' ' A' ' 120' ' ' HIS . . . -56.01 -169.45 0.08 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.525 1.141 . . . . 10.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.653 ' CZ ' ' NH2' ' A' ' 69' ' ' ARG . 14.1 m-85 -104.23 154.13 20.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 0.753 . . . . 10.0 110.962 -179.974 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.564 ' CE1' HD13 ' A' ' 117' ' ' LEU . 5.0 m-70 -72.99 173.85 8.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 10.0 109.595 179.965 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.431 ' O ' ' O ' ' A' ' 46' ' ' HIS . 5.6 t 59.04 117.61 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 10.0 109.296 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.458 ' ND1' ' O ' ' A' ' 48' ' ' HIS . 0.0 OUTLIER -165.4 124.72 1.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 10.0 109.599 -179.983 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -109.16 -164.51 0.94 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 10.0 110.326 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 76.42 100.75 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 10.0 110.298 -179.997 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 174.79 -163.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 10.0 110.314 179.993 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.435 ' O ' ' ND2' ' A' ' 53' ' ' ASN . 24.4 t0 177.23 126.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.088 . . . . 10.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.435 ' ND2' ' O ' ' A' ' 52' ' ' ASP . 2.4 m-80 74.74 76.92 0.11 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 10.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.402 ' CG2' ' N ' ' A' ' 55' ' ' ALA . 9.8 t -95.06 -50.3 5.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 10.0 110.431 179.972 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.402 ' N ' ' CG2' ' A' ' 54' ' ' THR . . . 73.55 -58.77 0.58 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 10.0 109.271 179.948 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.453 ' O ' ' CB ' ' A' ' 57' ' ' CYS . . . -81.33 64.36 4.18 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.529 1.143 . . . . 10.0 111.014 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.453 ' CB ' ' O ' ' A' ' 56' ' ' GLY . 0.6 OUTLIER 162.11 154.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.333 -0.988 . . . . 10.0 108.333 -179.992 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -100.45 -9.08 22.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 10.0 110.379 -179.956 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 49.3 m 52.03 79.54 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 10.0 110.036 -179.96 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.49 -81.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 10.0 109.321 179.98 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -155.41 75.11 0.23 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.5 1.125 . . . . 10.0 111.018 -179.982 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 118.23 5.18 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.442 1.759 . . . . 10.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -130.46 81.02 1.98 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 10.0 109.559 -179.977 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -150.7 111.0 4.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 10.0 111.012 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -101.21 148.57 35.32 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 10.0 109.277 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 62.16 5.78 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.477 1.777 . . . . 10.0 111.049 179.952 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -174.75 35.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 10.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -103.22 -63.59 1.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 10.0 109.996 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.653 ' NH2' ' CZ ' ' A' ' 45' ' ' PHE . 0.1 OUTLIER -93.0 65.47 4.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 10.0 110.293 -179.997 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.469 ' O ' ' CD2' ' A' ' 71' ' ' HIS . 0.9 OUTLIER -46.74 95.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 10.0 109.299 179.994 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.538 ' CG ' ' O ' ' A' ' 71' ' ' HIS . 10.3 p80 42.36 88.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 10.0 109.577 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -119.24 -125.46 3.38 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.499 1.124 . . . . 10.0 110.952 -179.984 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 144.73 -140.29 9.11 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.995 -0.842 . . . . 10.0 110.995 -179.97 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -42.41 0.51 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.484 1.781 . . . . 10.0 110.979 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp -58.74 -28.5 65.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 10.0 109.268 -179.967 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 58.63 92.85 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.547 1.154 . . . . 10.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -111.8 -16.42 13.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 10.0 110.333 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.529 ' O ' ' CB ' ' A' ' 79' ' ' ARG . 0.9 OUTLIER -148.76 160.81 42.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 10.0 110.301 179.989 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.529 ' CB ' ' O ' ' A' ' 78' ' ' GLU . 0.0 OUTLIER 155.9 89.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 10.0 110.285 -179.994 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 56.9 t-80 -77.96 -21.99 50.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 10.0 109.586 179.99 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.426 HG12 ' N ' ' A' ' 82' ' ' GLY . 63.3 t -95.29 -94.79 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 10.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.426 ' N ' HG12 ' A' ' 81' ' ' VAL . . . -171.1 44.81 0.19 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.454 1.096 . . . . 10.0 111.026 179.968 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -39.89 -57.43 1.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 0.755 . . . . 10.0 109.254 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 80.55 -73.07 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 10.0 109.336 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 168.75 167.42 29.36 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.476 1.11 . . . . 10.0 110.993 179.955 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 11.3 p30 -83.64 137.83 33.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 0.745 . . . . 10.0 109.333 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.419 HG12 ' NE2' ' A' ' 46' ' ' HIS . 16.0 m -94.2 170.45 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 10.0 109.324 -179.976 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 6.4 m -143.0 151.13 40.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.113 . . . . 10.0 110.421 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.482 ' CB ' ' HA ' ' A' ' 40' ' ' GLU . . . -84.28 164.1 19.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.157 . . . . 10.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.453 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 12.5 t0 -72.8 -96.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.433 1.083 . . . . 10.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.453 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 12.9 ptpt -137.13 10.01 3.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 10.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -158.34 25.7 0.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 10.0 109.344 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.479 ' O ' ' N ' ' A' ' 95' ' ' ALA . . . 96.77 -41.71 2.32 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.501 1.126 . . . . 10.0 111.042 -179.959 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.435 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 22.8 t -39.3 96.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.501 0.765 . . . . 10.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.479 ' N ' ' O ' ' A' ' 93' ' ' GLY . . . -95.27 113.7 25.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 10.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -100.33 145.89 27.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 10.0 109.266 -179.961 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.453 HG13 ' CD1' ' A' ' 99' ' ' ILE . 54.1 t -117.55 156.02 19.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 10.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 70.5 p -177.56 84.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 10.0 109.983 179.992 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.453 ' CD1' HG13 ' A' ' 97' ' ' VAL . 1.7 mp -129.96 147.93 33.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 10.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.427 ' N ' HG22 ' A' ' 99' ' ' ILE . 0.2 OUTLIER -121.28 91.08 3.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 10.0 110.304 180.0 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.479 ' O ' ' CB ' ' A' ' 28' ' ' PRO . 0.4 OUTLIER -92.44 133.33 36.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 10.0 109.301 -179.964 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.422 ' CA ' ' HB3' ' A' ' 28' ' ' PRO . 98.1 p -115.81 41.19 2.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 10.0 110.018 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 50.6 t -126.73 -58.65 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 10.0 109.266 -179.91 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.507 ' C ' ' CD1' ' A' ' 104' ' ' ILE . 1.7 pp -52.56 176.38 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 10.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -145.31 145.79 31.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 10.0 110.028 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -52.38 -57.5 9.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 10.0 109.284 -179.972 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.42 84.47 0.98 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.125 . . . . 10.0 110.07 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.607 ' O ' ' CB ' ' A' ' 109' ' ' ASP . . . 147.53 113.98 0.78 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.513 1.133 . . . . 10.0 110.997 -179.966 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.607 ' CB ' ' O ' ' A' ' 108' ' ' GLY . 9.6 t70 90.58 -44.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 0.768 . . . . 10.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . 0.435 ' CB ' ' HA ' ' A' ' 104' ' ' ILE . 75.8 m80 -155.77 52.42 0.57 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 10.0 109.604 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 61.6 p -46.78 115.66 1.12 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.43 1.081 . . . . 10.0 110.049 179.948 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.472 ' CG2' ' HB ' ' A' ' 104' ' ' ILE . 16.9 pt -84.19 -25.63 7.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 10.0 109.27 -179.963 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 48.2 mm -46.55 108.56 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 10.0 109.299 -179.963 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 113.72 16.29 8.15 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.539 1.149 . . . . 10.0 110.974 179.965 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 4.4 mmt85 -97.32 66.23 2.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 0.744 . . . . 10.0 110.325 179.971 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.502 ' HB ' ' CG2' ' A' ' 148' ' ' VAL . 11.2 t -51.99 144.9 10.99 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.111 . . . . 10.0 110.425 -179.976 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.564 HD13 ' CE1' ' A' ' 46' ' ' HIS . 4.5 mm? -106.8 76.75 1.13 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 10.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.471 HG13 ' CG2' ' A' ' 116' ' ' THR . 1.2 m -92.91 175.11 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 10.0 109.344 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.466 ' CG2' HD13 ' A' ' 38' ' ' LEU . 34.8 m -123.24 121.5 63.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 10.0 109.258 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.595 ' CE1' ' O ' ' A' ' 121' ' ' GLU . 0.0 OUTLIER -84.12 113.39 21.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 10.0 109.609 179.964 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.595 ' O ' ' CE1' ' A' ' 120' ' ' HIS . 0.3 OUTLIER -35.95 121.6 0.66 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 10.0 110.324 179.957 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 120' ' ' HIS . 0.0 OUTLIER 72.44 152.11 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.554 1.159 . . . . 10.0 109.335 -179.96 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -91.23 -178.24 5.1 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 10.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.568 ' HB2' ' CZ ' ' A' ' 45' ' ' PHE . 14.1 t0 -88.53 84.95 6.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 10.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . 0.461 ' CB ' ' CG ' ' A' ' 128' ' ' LYS . 0.3 OUTLIER -56.1 -20.43 17.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 10.0 109.252 -179.969 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 8.2 mt 59.13 20.5 8.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 10.0 109.283 179.989 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 161.03 94.55 0.1 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.545 1.153 . . . . 10.0 110.965 179.961 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.461 ' CG ' ' CB ' ' A' ' 125' ' ' ASP . 3.3 mtpm? -118.78 -75.66 0.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 0.75 . . . . 10.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -94.41 -31.86 7.69 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.504 1.127 . . . . 10.0 111.0 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -173.11 -131.03 1.32 Allowed Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.983 -0.847 . . . . 10.0 110.983 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . 0.489 ' O ' ' CG ' ' A' ' 132' ' ' GLU . 7.2 m-80 -139.42 101.59 4.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 0.744 . . . . 10.0 109.252 -179.97 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . 0.489 ' CG ' ' O ' ' A' ' 131' ' ' ASN . 3.9 mt-10 164.5 -29.09 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 10.0 110.326 179.986 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . 0.496 ' CB ' ' OD1' ' A' ' 139' ' ' ASN . 0.1 OUTLIER -95.01 -53.77 3.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 10.0 110.292 179.968 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 26.1 p -81.74 -20.65 38.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 10.0 109.976 -179.992 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 135' ' ' THR . . . . . 0.424 ' OG1' ' CA ' ' A' ' 132' ' ' GLU . 1.8 p -58.09 -25.77 61.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 10.0 110.37 -179.942 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -109.94 -51.13 2.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 10.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 24.4 p -122.89 -123.07 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 10.0 110.394 179.971 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -140.98 42.1 1.21 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.498 1.124 . . . . 10.0 110.999 -179.993 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . 0.496 ' OD1' ' CB ' ' A' ' 133' ' ' GLN . 0.4 OUTLIER 40.87 37.81 0.57 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 0.745 . . . . 10.0 109.331 179.994 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.411 ' O ' ' C ' ' A' ' 141' ' ' GLY . . . -141.42 -56.26 0.48 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 10.0 109.294 179.971 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . 0.432 ' H ' ' CE1' ' A' ' 120' ' ' HIS . . . 36.01 65.46 0.49 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.534 1.146 . . . . 10.0 111.01 -179.963 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 142' ' ' SER . . . . . 0.464 ' CB ' ' HB2' ' A' ' 121' ' ' GLU . 0.1 OUTLIER -126.96 86.56 2.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 0.764 . . . . 10.0 110.003 179.987 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.11 177.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 10.0 110.312 179.979 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 87.6 mt -150.5 -72.94 0.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 10.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . 0.417 ' O ' ' HB ' ' A' ' 118' ' ' VAL . . . -106.7 175.71 5.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 10.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 146' ' ' CYS . . . . . 0.463 ' HA ' ' CG1' ' A' ' 118' ' ' VAL . 30.2 p -156.1 72.61 0.77 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 10.0 108.305 179.963 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -48.23 -53.36 15.63 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.471 1.107 . . . . 10.0 110.977 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . 0.502 ' CG2' ' HB ' ' A' ' 116' ' ' THR . 37.5 t 65.32 127.83 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.529 0.782 . . . . 10.0 109.312 -179.962 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 149' ' ' ILE . . . . . 0.531 ' CD1' ' CE1' ' A' ' 20' ' ' PHE . 5.3 mm -68.55 144.1 14.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 10.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -155.29 108.64 0.37 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.474 1.109 . . . . 10.0 110.993 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 14.6 mm -44.89 148.15 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.455 0.738 . . . . 10.0 109.233 -179.959 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -134.55 169.44 17.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 10.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 10.0 110.256 179.996 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.316 -0.624 . . . . 10.0 109.316 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.5 m -152.85 92.3 1.63 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 10.0 110.419 179.963 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.433 ' CG ' ' O ' ' A' ' 20' ' ' PHE . 8.1 ttmt -121.45 130.7 53.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 10.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.518 ' CB ' ' HB2' ' A' ' 20' ' ' PHE . . . -100.52 159.23 15.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.092 . . . . 10.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.425 HG21 ' CB ' ' A' ' 152' ' ' ALA . 2.0 t -140.75 154.03 21.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 10.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.439 ' CB ' ' O ' ' A' ' 147' ' ' GLY . . . -152.7 91.48 1.56 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 10.0 109.322 -179.981 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.472 HG23 ' CD1' ' A' ' 17' ' ' ILE . 4.5 p -81.61 91.18 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 10.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.473 ' HB2' ' N ' ' A' ' 16' ' ' GLY . 0.5 OUTLIER -39.07 126.37 1.62 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 10.0 109.296 179.991 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 10' ' ' GLY . 0.9 OUTLIER -78.98 -37.34 39.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 10.0 109.293 179.992 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.477 ' CA ' ' HB ' ' A' ' 14' ' ' VAL . . . 59.55 123.13 0.01 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.526 1.141 . . . . 10.0 110.993 179.975 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 10' ' ' GLY . 16.3 t0 -38.02 -31.38 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 0.783 . . . . 10.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -170.06 -63.71 0.04 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.493 1.121 . . . . 10.0 111.022 179.953 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.427 ' O ' ' C ' ' A' ' 14' ' ' VAL . 18.5 Cg_endo -74.94 -58.98 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.52 1.8 . . . . 10.0 111.021 179.97 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.477 ' HB ' ' CA ' ' A' ' 10' ' ' GLY . 36.4 t -37.15 142.27 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.117 . . . . 10.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.463 ' N ' HG12 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -169.0 42.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 10.0 110.302 -179.99 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.473 ' N ' ' HB2' ' A' ' 8' ' ' LEU . . . -59.5 169.48 6.61 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.475 1.109 . . . . 10.0 110.984 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.472 ' CD1' HG23 ' A' ' 7' ' ' VAL . 21.4 mm -141.63 98.29 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.432 0.725 . . . . 10.0 109.3 -179.957 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.423 ' CD1' ' N ' ' A' ' 19' ' ' ASN . 0.4 OUTLIER -114.15 138.84 42.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 10.0 109.308 179.982 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.423 ' N ' ' CD1' ' A' ' 18' ' ' ILE . 0.1 OUTLIER -141.34 149.52 41.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 10.0 109.297 -179.972 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.65 ' CE1' ' CG1' ' A' ' 31' ' ' VAL . 6.8 m-30 -108.75 138.2 45.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 10.0 110.99 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.502 ' HB2' ' CH2' ' A' ' 32' ' ' TRP . 8.9 tp10 -119.68 130.46 55.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 10.0 110.288 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -147.84 65.72 1.11 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 10.0 110.335 179.994 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.5 mttt -75.94 57.49 1.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 10.0 109.266 -179.931 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.495 ' O ' ' CB ' ' A' ' 25' ' ' SER . 1.5 mm-40 -155.2 -44.88 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.152 . . . . 10.0 110.306 -179.982 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 0.4 OUTLIER 85.41 -11.52 0.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 10.0 109.98 179.964 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -157.75 25.94 0.28 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 10.0 109.339 179.981 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -122.27 -152.88 8.73 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.473 1.108 . . . . 10.0 110.967 -179.978 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 146.86 33.13 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.466 1.771 . . . . 10.0 110.947 -179.969 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.445 HG23 ' CD1' ' A' ' 104' ' ' ILE . 28.8 t -106.92 87.9 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 10.0 109.271 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.497 ' O ' ' CZ3' ' A' ' 32' ' ' TRP . 18.0 mttt -63.96 93.0 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 10.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.65 ' CG1' ' CE1' ' A' ' 20' ' ' PHE . 21.8 t -96.25 137.57 23.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 10.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.502 ' CH2' ' HB2' ' A' ' 21' ' ' GLU . 26.4 p90 -160.2 145.45 14.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 10.0 107.987 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -157.99 -173.49 26.48 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.456 1.097 . . . . 10.0 110.966 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.5 t -156.92 123.45 5.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 0.771 . . . . 10.0 110.009 179.965 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.583 HG23 ' CE1' ' A' ' 43' ' ' HIS . 0.0 OUTLIER -84.45 163.57 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.16 . . . . 10.0 109.326 179.968 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.52 ' CG ' ' O ' ' A' ' 35' ' ' ILE . 62.3 mttt -157.44 108.18 2.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.575 1.172 . . . . 10.0 109.26 179.976 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.445 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 144.43 -51.08 0.64 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.492 1.12 . . . . 10.0 111.003 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.568 HD23 ' CE1' ' A' ' 43' ' ' HIS . 1.8 mp -53.46 -170.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 0.769 . . . . 10.0 109.278 -179.957 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 40' ' ' GLU . 39.0 p -136.3 145.62 45.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.09 . . . . 10.0 110.396 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 39' ' ' THR . 10.0 pt-20 -37.76 128.03 1.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 10.0 110.283 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 151.45 -128.93 2.7 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.499 1.124 . . . . 10.0 111.012 179.981 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.6 mp -96.42 177.29 5.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 0.759 . . . . 10.0 109.276 -179.954 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.583 ' CE1' HG23 ' A' ' 35' ' ' ILE . 0.2 OUTLIER -153.33 113.96 4.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 10.0 109.619 179.954 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.506 ' N ' ' CE1' ' A' ' 120' ' ' HIS . . . -62.2 101.28 0.36 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.469 1.106 . . . . 10.0 110.976 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.411 ' O ' ' OD1' ' A' ' 83' ' ' ASP . 30.9 t80 -81.68 61.72 5.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 0.76 . . . . 10.0 110.999 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 22.3 m170 -60.48 174.91 0.5 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.15 . . . . 10.0 109.548 -179.975 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.466 ' CG1' ' O ' ' A' ' 47' ' ' VAL . 47.7 t -154.25 60.29 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 10.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.442 ' ND1' ' O ' ' A' ' 114' ' ' GLY . 0.1 OUTLIER 74.22 168.82 0.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 10.0 109.604 179.99 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.572 ' HA ' ' CD1' ' A' ' 64' ' ' PHE . 5.4 pt-20 -162.06 179.34 8.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 10.0 110.344 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -65.21 151.61 45.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 10.0 110.288 -179.989 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 82.1 mt-10 -131.96 -72.01 0.54 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 10.0 110.248 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.498 ' O ' ' CB ' ' A' ' 53' ' ' ASN . 6.4 t0 73.42 45.33 0.27 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 10.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.498 ' CB ' ' O ' ' A' ' 52' ' ' ASP . 1.7 t-20 82.06 42.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 10.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -97.8 -39.22 9.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 10.0 110.407 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 64.03 115.27 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 10.0 109.276 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -115.09 -42.47 0.77 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.491 1.119 . . . . 10.0 111.004 179.987 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 1.437 ' SG ' ' SG ' ' A' ' 146' ' ' CYS . 1.8 m -153.8 -54.59 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.312 -0.995 . . . . 10.0 108.312 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 37.5 p -134.27 -49.75 0.8 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 10.0 110.423 179.985 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.7 m 65.65 93.15 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 10.0 110.004 179.981 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -125.37 -64.23 1.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 10.0 109.314 -179.97 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -143.01 89.22 0.17 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.462 1.101 . . . . 10.0 111.015 179.991 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 137.11 21.46 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.465 1.771 . . . . 10.0 111.004 179.989 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -85.33 -70.72 0.57 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 10.0 109.599 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.572 ' CD1' ' HA ' ' A' ' 49' ' ' GLU . 6.1 t80 50.77 177.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 10.0 111.017 -179.981 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.474 ' HA ' ' CG1' ' A' ' 81' ' ' VAL . 8.0 p-10 -111.86 105.38 56.53 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.117 . . . . 10.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -18.2 18.92 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.563 1.823 . . . . 10.0 110.994 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.447 HD21 ' CG ' ' A' ' 69' ' ' ARG . 0.1 OUTLIER -94.43 -29.77 14.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 10.0 109.283 -179.995 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.435 ' C ' ' N ' ' A' ' 70' ' ' LYS . 90.3 p 53.07 63.92 2.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 10.0 110.036 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.521 ' HD2' ' CG ' ' A' ' 80' ' ' HIS . 0.6 OUTLIER -42.45 -26.15 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 10.0 110.329 179.992 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.49 ' O ' ' C ' ' A' ' 71' ' ' HIS . 18.5 mtmt 54.94 -174.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 10.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.49 ' C ' ' O ' ' A' ' 70' ' ' LYS . 1.8 p-80 -32.65 138.4 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.138 . . . . 10.0 109.613 -179.96 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -163.51 -51.33 0.02 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.472 1.107 . . . . 10.0 111.002 -179.944 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 177.91 -123.14 0.86 Allowed Glycine 0 CA--C 1.53 1.031 0 N-CA-C 111.017 -0.833 . . . . 10.0 111.017 179.967 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -72.1 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.481 1.779 . . . . 10.0 111.001 179.983 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.487 ' CB ' ' O ' ' A' ' 84' ' ' LEU . 0.0 OUTLIER -98.33 11.85 36.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 10.0 109.304 179.989 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.415 ' O ' ' O ' ' A' ' 70' ' ' LYS . 3.6 m-20 -116.76 10.88 14.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 10.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.511 ' O ' ' CB ' ' A' ' 78' ' ' GLU . 0.5 OUTLIER -88.33 5.71 40.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 10.0 110.295 179.99 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.511 ' CB ' ' O ' ' A' ' 77' ' ' GLU . 15.2 tt0 159.52 147.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 10.0 110.271 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.461 ' C ' ' O ' ' A' ' 78' ' ' GLU . 38.4 mtt180 34.31 77.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 10.0 110.339 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.521 ' CG ' ' HD2' ' A' ' 69' ' ' ARG . 0.1 OUTLIER -95.74 -21.77 17.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 10.0 109.606 -179.971 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.474 ' CG1' ' HA ' ' A' ' 65' ' ' ASN . 13.3 p -88.41 0.77 7.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.426 1.078 . . . . 10.0 109.33 179.964 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -142.64 -83.75 0.07 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.422 1.076 . . . . 10.0 111.028 179.978 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.484 ' OD1' ' N ' ' A' ' 84' ' ' LEU . 17.5 t0 -48.85 159.48 0.24 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 0.741 . . . . 10.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.487 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 0.3 OUTLIER -107.88 -75.01 0.64 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 10.0 109.34 -179.994 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -155.23 -114.96 0.52 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.53 1.143 . . . . 10.0 110.982 -179.993 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.429 ' N ' ' OD1' ' A' ' 86' ' ' ASN . 0.6 OUTLIER -146.26 157.7 43.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 0.735 . . . . 10.0 109.273 -179.964 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.419 ' O ' ' N ' ' A' ' 43' ' ' HIS . 9.8 t -111.22 173.17 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.095 . . . . 10.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.6 m -120.04 137.2 54.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 10.0 110.439 179.953 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -86.94 175.82 7.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 10.0 109.266 -179.965 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.454 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 14.2 t0 -82.55 -98.0 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 10.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.454 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 22.2 pttt -137.63 10.37 2.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 10.0 109.32 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -153.29 23.14 0.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 10.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.465 ' HA3' ' C ' ' A' ' 38' ' ' LEU . . . 93.21 -35.54 4.07 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.52 1.137 . . . . 10.0 111.007 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.497 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 20.4 t -39.89 104.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.476 0.75 . . . . 10.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -111.24 119.09 37.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 10.0 109.275 179.995 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -112.08 149.58 31.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 10.0 109.311 179.962 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -125.46 161.78 29.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 10.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 29.9 p -169.7 93.91 0.26 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 10.0 109.99 -179.982 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.3 mp -125.36 150.43 30.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 10.0 109.32 -179.985 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.473 ' CG ' ' HG2' ' A' ' 30' ' ' LYS . 0.2 OUTLIER -124.96 86.42 2.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 10.0 110.291 -179.987 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -105.7 144.71 32.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 10.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 89.1 p -118.78 -43.26 2.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 10.0 110.021 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 25.1 t -43.8 -48.49 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 10.0 109.313 179.951 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.512 ' C ' ' CD1' ' A' ' 104' ' ' ILE . 1.7 pp -63.55 177.23 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 10.0 109.255 -179.953 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.43 167.24 23.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 10.0 110.04 180.0 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.455 ' CD2' HD11 ' A' ' 113' ' ' ILE . 9.1 mp -95.06 -34.19 12.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 10.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -144.57 78.59 1.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 10.0 109.993 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -156.58 -105.06 0.22 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.552 1.157 . . . . 10.0 111.026 -179.99 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -109.15 -25.67 10.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 0.782 . . . . 10.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . 0.459 ' CG ' ' HA ' ' A' ' 104' ' ' ILE . 15.7 m80 -94.21 -55.99 3.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 10.0 109.613 -179.988 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 31.1 t 43.03 78.48 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 10.0 110.006 179.957 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -85.64 5.33 2.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 10.0 109.281 -179.948 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.455 HD11 ' CD2' ' A' ' 106' ' ' LEU . 7.5 mm -57.58 122.01 6.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 10.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.442 ' O ' ' ND1' ' A' ' 48' ' ' HIS . . . 104.01 27.95 6.07 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.499 1.124 . . . . 10.0 110.994 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -85.78 60.51 6.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 0.772 . . . . 10.0 110.302 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.564 ' HG1' ' N ' ' A' ' 148' ' ' VAL . 9.1 t -57.17 119.85 7.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 10.0 110.394 -179.96 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.4 tp -88.46 99.11 12.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 10.0 109.325 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.503 ' CG1' ' O ' ' A' ' 145' ' ' ALA . 12.3 m -102.14 65.52 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 10.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.412 ' O ' ' CD1' ' A' ' 144' ' ' LEU . 17.2 m -49.47 152.85 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 10.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.54 ' CE1' ' O ' ' A' ' 122' ' ' LYS . 0.3 OUTLIER -97.29 164.86 12.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 10.0 109.629 179.978 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -90.26 43.34 1.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 10.0 110.273 -179.97 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.54 ' O ' ' CE1' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -171.31 -165.11 0.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 10.0 109.315 179.992 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -111.87 -179.43 3.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 10.0 109.268 -179.984 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -127.96 96.24 4.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 10.0 109.319 180.0 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.49 -9.82 58.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 10.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 9.0 mt 43.88 46.98 6.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 10.0 109.324 -179.989 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -136.63 -130.52 2.9 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.514 1.134 . . . . 10.0 110.991 -179.963 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 130' ' ' GLY . 2.8 mtmt -129.73 -84.09 0.55 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 0.769 . . . . 10.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 67.47 -58.17 0.3 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.519 1.137 . . . . 10.0 111.007 -179.99 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 128' ' ' LYS . . . -107.68 -149.87 15.48 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.996 -0.842 . . . . 10.0 110.996 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 -155.86 132.79 10.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 0.757 . . . . 10.0 109.335 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 76.92 18.06 1.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 10.0 110.292 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . 0.475 ' O ' ' OG1' ' A' ' 137' ' ' THR . 0.0 OUTLIER -141.39 -68.29 0.39 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 10.0 110.357 179.99 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 134' ' ' SER . . . . . 0.444 ' CB ' ' O ' ' A' ' 128' ' ' LYS . 0.9 OUTLIER -75.96 -14.36 60.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 10.0 110.006 179.993 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 75.8 p -79.76 -19.63 48.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 10.0 110.395 179.978 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.449 ' HG3' ' O ' ' A' ' 133' ' ' GLN . 3.8 ptpt -112.26 -24.05 10.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.097 . . . . 10.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 137' ' ' THR . . . . . 0.564 ' OG1' ' N ' ' A' ' 138' ' ' GLY . 31.0 p -121.97 -86.92 0.65 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 10.0 110.413 179.966 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . 0.564 ' N ' ' OG1' ' A' ' 137' ' ' THR . . . 146.91 44.14 0.04 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.484 1.115 . . . . 10.0 111.0 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 2.3 t30 69.83 12.1 7.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 0.795 . . . . 10.0 109.351 -179.957 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.469 ' O ' ' CB ' ' A' ' 122' ' ' LYS . . . -41.84 -72.9 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 10.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 140.35 -115.04 1.02 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.545 1.153 . . . . 10.0 110.996 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.51 137.97 40.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 0.769 . . . . 10.0 109.998 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . 0.431 ' HG2' ' N ' ' A' ' 144' ' ' LEU . 2.6 ttp180 -67.95 135.57 52.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 10.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.431 ' N ' ' HG2' ' A' ' 143' ' ' ARG . 3.4 pp -153.09 171.89 17.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 10.0 109.302 -179.942 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . 0.503 ' O ' ' CG1' ' A' ' 118' ' ' VAL . . . 63.84 163.19 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 10.0 109.325 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 146' ' ' CYS . . . . . 1.437 ' SG ' ' SG ' ' A' ' 57' ' ' CYS . 28.6 p -156.02 69.98 0.67 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 10.0 108.341 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . 0.439 ' O ' ' CB ' ' A' ' 6' ' ' ALA . . . -83.27 55.71 5.04 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.556 1.16 . . . . 10.0 110.98 -179.973 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . 0.564 ' N ' ' HG1' ' A' ' 116' ' ' THR . 69.6 t -53.12 129.02 13.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 0.763 . . . . 10.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 149' ' ' ILE . . . . . 0.562 HG22 ' CD2' ' A' ' 20' ' ' PHE . 19.4 mm -83.58 107.52 15.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 10.0 109.261 -179.96 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -130.24 136.89 9.15 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.489 1.118 . . . . 10.0 111.028 179.99 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 25.1 mm -51.86 146.02 2.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.552 0.795 . . . . 10.0 109.331 -179.986 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . 0.425 ' CB ' HG21 ' A' ' 5' ' ' VAL . . . -139.28 173.33 11.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 10.0 109.289 -179.941 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.167 . . . . 10.0 110.281 -179.986 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.292 -0.633 . . . . 10.0 109.292 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.497 ' O ' ' CG2' ' A' ' 2' ' ' THR . 0.5 OUTLIER -139.09 112.63 8.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 10.0 110.421 179.975 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.9 tmmt? -102.34 106.12 16.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 10.0 109.288 179.994 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.457 ' HB2' ' CG2' ' A' ' 149' ' ' ILE . . . -84.18 175.23 9.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.123 . . . . 10.0 109.315 179.949 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.2 t -143.71 156.83 16.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 10.0 109.278 -180.0 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.484 ' CB ' HG13 ' A' ' 18' ' ' ILE . . . -153.02 93.7 1.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 10.0 109.336 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.456 ' CG1' ' O ' ' A' ' 7' ' ' VAL . 8.2 p -82.39 91.92 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 10.0 109.297 -179.957 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.494 ' HB2' ' N ' ' A' ' 16' ' ' GLY . 2.2 mm? -39.57 126.45 1.86 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 10.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.29 -63.28 1.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 10.0 109.305 179.97 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 65.0 114.79 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.424 1.077 . . . . 10.0 111.013 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -50.07 -22.28 1.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 0.785 . . . . 10.0 109.332 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.498 ' N ' ' CD ' ' A' ' 13' ' ' PRO . . . 164.56 -50.99 0.29 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.48 1.113 . . . . 10.0 111.02 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.498 ' CD ' ' N ' ' A' ' 12' ' ' GLY . 18.3 Cg_endo -75.0 8.29 2.48 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.467 1.772 . . . . 10.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.2 t -138.14 151.3 25.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 10.0 109.311 -179.98 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.08 42.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 10.0 110.269 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.494 ' N ' ' HB2' ' A' ' 8' ' ' LEU . . . -69.29 168.03 45.93 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.47 1.106 . . . . 10.0 111.043 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.402 HG13 ' C ' ' A' ' 16' ' ' GLY . 57.6 mt -142.33 107.87 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.524 0.779 . . . . 10.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.523 HD11 ' CE1' ' A' ' 20' ' ' PHE . 0.7 OUTLIER -97.27 160.15 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 10.0 109.307 179.983 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.434 ' N ' ' ND2' ' A' ' 19' ' ' ASN . 0.0 OUTLIER -142.69 121.44 12.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 10.0 109.281 179.994 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.523 ' CE1' HD11 ' A' ' 18' ' ' ILE . 1.9 m-30 -95.82 102.41 14.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 10.0 110.99 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -108.14 119.58 39.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 10.0 110.292 -179.984 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -117.11 79.39 1.33 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 10.0 110.285 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.2 mttm -74.07 60.24 0.77 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 10.0 109.265 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.498 ' O ' ' CB ' ' A' ' 25' ' ' SER . 0.0 OUTLIER -154.86 -54.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 10.0 110.287 179.97 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 2.6 t 84.92 -9.87 0.84 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 10.0 109.994 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -157.33 25.95 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 10.0 109.333 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -133.64 -150.47 6.29 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.489 1.118 . . . . 10.0 110.987 -179.997 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.5 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 18.2 Cg_endo -75.03 170.49 20.3 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.481 1.78 . . . . 10.0 110.971 -179.964 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 27.7 t -115.75 119.19 61.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 10.0 109.333 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.9 mttm -74.37 93.44 2.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 10.0 109.316 179.977 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 40.8 t -84.65 133.31 29.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 10.0 109.325 179.978 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.472 ' CD1' ' N ' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -167.03 162.68 15.65 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.015 -1.106 . . . . 10.0 108.015 -179.992 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.472 ' N ' ' CD1' ' A' ' 32' ' ' TRP . . . 173.86 -164.61 36.09 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.523 1.139 . . . . 10.0 111.002 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -155.87 121.93 5.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 0.743 . . . . 10.0 110.066 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.49 ' HA ' ' CA ' ' A' ' 16' ' ' GLY . 0.2 OUTLIER -83.54 165.14 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 10.0 109.323 -179.971 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.454 ' HG2' ' O ' ' A' ' 35' ' ' ILE . 36.5 mttt -152.02 118.5 5.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 10.0 109.265 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.466 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 124.95 -38.98 2.19 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.525 1.141 . . . . 10.0 111.019 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.477 ' CD1' HG23 ' A' ' 35' ' ' ILE . 0.2 OUTLIER -52.8 -169.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 0.77 . . . . 10.0 109.295 179.995 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 27.6 p -137.32 149.91 47.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 10.0 110.401 179.965 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.478 ' HA ' ' CB ' ' A' ' 89' ' ' ALA . 0.2 OUTLIER -51.33 112.25 0.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 10.0 110.275 179.999 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.446 ' O ' ' NE2' ' A' ' 43' ' ' HIS . . . 160.17 167.67 21.06 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.492 1.12 . . . . 10.0 111.044 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.3 mt -71.44 151.42 44.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.445 0.732 . . . . 10.0 109.326 -179.992 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.446 ' NE2' ' O ' ' A' ' 41' ' ' GLY . 5.5 m80 -138.01 168.96 18.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 10.0 109.551 -179.938 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.481 ' CA ' ' HB2' ' A' ' 120' ' ' HIS . . . -83.43 -172.65 49.0 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.554 1.159 . . . . 10.0 111.023 179.958 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.807 ' CE1' ' CE1' ' A' ' 80' ' ' HIS . 26.2 m-85 -78.51 173.66 12.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 0.778 . . . . 10.0 111.01 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.572 ' CE1' HD13 ' A' ' 117' ' ' LEU . 0.5 OUTLIER -145.78 66.63 1.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 10.0 109.593 -179.999 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 43.0 t -123.65 113.51 37.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 10.0 109.266 -179.994 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.547 ' ND1' ' CG1' ' A' ' 118' ' ' VAL . 17.9 m80 -142.06 60.26 1.46 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 10.0 109.627 179.955 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -40.19 97.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 10.0 110.297 -179.966 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 48' ' ' HIS . 4.0 tm-20 -159.54 137.48 10.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 10.0 110.273 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -132.02 -60.85 0.9 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 10.0 110.311 179.977 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 66.17 177.37 0.22 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 10.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -99.03 -7.52 26.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 10.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.451 ' CG2' ' N ' ' A' ' 55' ' ' ALA . 12.2 t -112.44 -50.56 2.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 10.0 110.366 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.451 ' N ' ' CG2' ' A' ' 54' ' ' THR . . . 78.28 117.94 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 10.0 109.318 -179.977 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -172.97 43.37 0.16 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.496 1.123 . . . . 10.0 110.995 179.978 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 1.021 ' SG ' ' SG ' ' A' ' 146' ' ' CYS . 0.1 OUTLIER 47.77 72.03 0.29 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.3 -1.0 . . . . 10.0 108.3 179.999 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 10.5 p -128.77 -143.19 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 10.0 110.383 -179.994 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 61' ' ' GLY . 55.4 m -114.76 -64.39 1.32 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 10.0 109.994 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . 66.57 -72.76 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 10.0 109.29 179.975 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 59' ' ' SER . . . -147.37 97.01 0.18 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.488 1.118 . . . . 10.0 110.945 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 116.36 4.56 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.493 1.786 . . . . 10.0 110.996 179.979 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 8.3 m80 -112.0 -66.55 1.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 10.0 109.641 179.993 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 51.09 -166.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 10.0 111.026 179.964 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -84.5 120.77 74.64 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 10.0 109.356 179.971 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 85.74 1.5 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.543 1.812 . . . . 10.0 111.017 -179.992 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.464 ' O ' ' N ' ' A' ' 69' ' ' ARG . 1.0 OUTLIER -176.62 -51.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 10.0 109.283 179.964 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.486 ' O ' ' HB2' ' A' ' 69' ' ' ARG . 2.2 t 39.06 -96.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 10.0 110.037 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.486 ' HB2' ' O ' ' A' ' 68' ' ' SER . 5.7 mmt180 68.65 -65.36 0.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 10.0 110.295 180.0 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 68' ' ' SER . 0.8 OUTLIER -175.49 165.57 3.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.102 . . . . 10.0 109.307 179.988 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.597 ' CG ' ' N ' ' A' ' 72' ' ' GLY . 8.9 t60 -87.69 171.1 10.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 10.0 109.587 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.597 ' N ' ' CG ' ' A' ' 71' ' ' HIS . . . -154.43 -86.24 0.05 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.463 1.102 . . . . 10.0 110.985 -179.973 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -151.49 -116.03 0.7 Allowed Glycine 0 CA--C 1.531 1.051 0 N-CA-C 110.96 -0.856 . . . . 10.0 110.96 -179.979 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.532 ' O ' ' C ' ' A' ' 75' ' ' LYS . 18.2 Cg_endo -74.97 46.66 1.57 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.522 1.801 . . . . 10.0 110.977 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.532 ' C ' ' O ' ' A' ' 74' ' ' PRO . 0.0 OUTLIER 29.4 62.02 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 10.0 109.312 179.994 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -95.91 -65.12 0.99 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 10.0 109.324 179.975 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -112.37 9.83 19.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 10.0 110.27 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.435 ' HG3' ' N ' ' A' ' 72' ' ' GLY . 14.4 pm0 -124.54 178.47 5.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 10.0 110.274 -179.973 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.39 108.98 4.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 10.0 110.243 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.807 ' CE1' ' CE1' ' A' ' 45' ' ' PHE . 6.7 p80 -84.48 47.67 1.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 10.0 109.565 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.419 ' O ' ' CG2' ' A' ' 81' ' ' VAL . 5.2 p 40.54 34.49 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 10.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.482 ' O ' ' C ' ' A' ' 83' ' ' ASP . . . 171.19 40.87 0.03 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.53 1.144 . . . . 10.0 110.999 180.0 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.482 ' C ' ' O ' ' A' ' 82' ' ' GLY . 1.1 m-20 -34.51 127.9 0.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 0.793 . . . . 10.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.444 HD23 ' CD2' ' A' ' 46' ' ' HIS . 2.3 tt -173.39 -50.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 10.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 118.43 163.53 12.63 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.499 1.124 . . . . 10.0 111.018 -179.997 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -85.24 130.08 34.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 0.729 . . . . 10.0 109.266 -179.939 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 16.4 m -98.53 144.46 11.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 10.0 109.28 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 59.9 m -123.94 152.77 42.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.095 . . . . 10.0 110.434 179.989 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.478 ' CB ' ' HA ' ' A' ' 40' ' ' GLU . . . -84.92 163.03 19.22 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.546 1.154 . . . . 10.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.435 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 11.0 t0 -79.03 -96.14 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 10.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.435 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 2.6 pttt -136.2 9.32 3.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 10.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -153.81 24.83 0.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 10.0 109.318 -179.975 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.462 ' HA2' ' CB ' ' A' ' 89' ' ' ALA . . . 91.32 -35.39 3.95 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.524 1.14 . . . . 10.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.461 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 21.5 t -39.76 98.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.487 0.757 . . . . 10.0 109.276 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 93' ' ' GLY . . . -104.18 115.29 30.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 10.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -107.84 143.63 36.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 10.0 109.323 -179.997 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 38.6 t -115.34 164.58 11.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 10.0 109.314 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 31.2 t -173.07 86.34 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 10.0 109.994 179.989 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.435 ' CG2' ' N ' ' A' ' 100' ' ' GLU . 3.7 mt -133.21 166.35 29.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 10.0 109.262 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.435 ' N ' ' CG2' ' A' ' 99' ' ' ILE . 35.9 tt0 -134.7 98.24 4.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 10.0 110.271 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.5 ' O ' ' CB ' ' A' ' 28' ' ' PRO . 1.1 t70 -92.28 142.64 27.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 10.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 45.2 p -119.5 -41.66 2.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 10.0 109.964 -179.994 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 40.5 t -48.38 -24.33 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 10.0 109.327 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.434 ' C ' ' CD1' ' A' ' 104' ' ' ILE . 1.9 pp -114.66 156.89 15.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 10.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 10.7 t -148.88 160.44 43.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 10.0 109.996 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 3.0 mt -68.07 -24.19 65.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 10.0 109.278 -179.978 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -136.88 175.07 9.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 10.0 110.017 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 101.47 -142.4 15.69 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.547 1.154 . . . . 10.0 110.98 179.992 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -94.0 30.49 1.85 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 0.794 . . . . 10.0 109.257 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 70.1 m80 -131.5 -61.37 0.91 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.138 . . . . 10.0 109.588 179.969 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 15.1 t 52.56 84.96 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 10.0 110.005 179.986 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.449 HD12 ' CE2' ' A' ' 20' ' ' PHE . 12.7 pt -92.47 -4.46 10.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 10.0 109.341 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 18.4 mm -62.13 101.97 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 10.0 109.255 179.99 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 127.31 39.09 0.39 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.495 1.122 . . . . 10.0 110.989 179.983 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.473 ' HB2' ' CG1' ' A' ' 149' ' ' ILE . 5.5 mtp180 -84.61 101.89 12.49 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.526 0.78 . . . . 10.0 110.301 179.996 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.483 ' CG2' ' HB3' ' A' ' 146' ' ' CYS . 93.9 m -71.16 62.78 0.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 10.0 110.373 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.572 HD13 ' CE1' ' A' ' 46' ' ' HIS . 0.7 OUTLIER -41.77 111.62 0.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.158 . . . . 10.0 109.311 179.962 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.547 ' CG1' ' ND1' ' A' ' 48' ' ' HIS . 2.8 p -128.24 105.03 12.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 10.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.473 HG21 ' CD1' ' A' ' 35' ' ' ILE . 20.8 t -56.54 147.71 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 10.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.481 ' HB2' ' CA ' ' A' ' 44' ' ' GLY . 0.5 OUTLIER -85.01 140.59 30.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 10.0 109.546 -179.936 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.7 -49.9 67.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.099 . . . . 10.0 110.293 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -124.4 -163.65 1.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 10.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -107.24 152.08 24.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 10.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -75.72 -4.52 40.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 10.0 109.296 180.0 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 13.2 t0 55.4 31.14 16.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 10.0 109.256 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 9.1 mt 53.61 20.52 2.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 10.0 109.291 179.982 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 100.18 119.96 4.44 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.533 1.146 . . . . 10.0 111.043 -179.94 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.35 -24.23 15.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 0.781 . . . . 10.0 109.347 179.983 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 89.63 38.36 6.61 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 10.0 110.981 179.973 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -83.05 -146.21 6.37 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.063 -0.815 . . . . 10.0 111.063 179.966 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 65.4 m-80 -151.06 134.5 16.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 0.751 . . . . 10.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 51.19 22.62 1.37 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.561 1.163 . . . . 10.0 110.311 179.989 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -138.09 -72.12 0.42 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 10.0 110.281 -180.0 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 10.8 m -78.67 -26.14 44.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 10.0 110.004 -179.986 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 71.6 p -72.48 -6.28 42.65 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.478 1.111 . . . . 10.0 110.384 -179.982 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 16.8 mtmt -120.09 -43.62 2.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 10.0 109.301 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 41.7 p -127.64 -92.37 0.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 10.0 110.377 -179.999 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 177.37 39.84 0.06 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.506 1.129 . . . . 10.0 110.995 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 44.84 34.94 1.31 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 0.771 . . . . 10.0 109.267 179.992 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -152.19 24.66 0.63 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 10.0 109.312 -179.979 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -83.51 94.75 1.82 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.472 1.108 . . . . 10.0 110.978 -179.979 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 142' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 143' ' ' ARG . 0.6 OUTLIER -150.15 93.1 1.96 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 0.749 . . . . 10.0 110.044 179.952 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . 0.401 ' O ' ' O ' ' A' ' 142' ' ' SER . 0.5 OUTLIER -44.82 169.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 10.0 110.248 -179.941 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -168.51 -58.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 10.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -107.1 168.57 9.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 10.0 109.339 179.98 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 146' ' ' CYS . . . . . 1.021 ' SG ' ' SG ' ' A' ' 57' ' ' CYS . 68.5 m -155.17 66.47 0.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 10.0 108.29 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . 0.476 ' CA ' ' HA ' ' A' ' 8' ' ' LEU . . . -45.98 -51.81 10.58 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.49 1.119 . . . . 10.0 111.001 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . 0.409 ' HB ' ' O ' ' A' ' 147' ' ' GLY . 2.8 t 66.09 136.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.55 0.794 . . . . 10.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 149' ' ' ILE . . . . . 0.473 ' CG1' ' HB2' ' A' ' 115' ' ' ARG . 5.0 mm -81.24 136.74 22.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 10.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -144.29 99.46 0.22 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.514 1.134 . . . . 10.0 111.003 179.97 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . 0.472 ' CD1' HG23 ' A' ' 2' ' ' THR . 17.2 mm -40.05 138.3 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.471 0.747 . . . . 10.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -126.57 175.25 8.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 10.0 109.312 179.978 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.145 . . . . 10.0 110.292 -179.986 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.0 p . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.365 -0.235 . . . . 10.0 110.365 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.1 tttp -111.56 88.32 2.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 10.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.945 ' HB3' ' HB2' ' A' ' 20' ' ' PHE . . . -84.85 164.68 18.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 10.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.6 HG23 ' HB3' ' A' ' 152' ' ' ALA . 2.1 t -144.39 155.53 15.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 10.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.576 ' HB3' HG23 ' A' ' 18' ' ' ILE . . . -155.47 93.45 1.49 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 10.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 58.4 t -81.6 99.58 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 10.0 109.278 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.586 HD12 ' CB ' ' A' ' 145' ' ' ALA . 3.6 mm? -46.24 145.34 1.69 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 10.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 17.7 tttt -178.29 136.1 0.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 10.0 109.286 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 11' ' ' ASP . . . 171.55 -95.08 0.1 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.532 1.145 . . . . 10.0 110.964 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 10' ' ' GLY . 53.0 t0 -38.44 -46.04 1.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 0.73 . . . . 10.0 109.266 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 143.95 -60.96 0.51 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.535 1.147 . . . . 10.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -39.05 1.32 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.475 1.776 . . . . 10.0 111.009 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 40.2 t -60.04 92.78 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 10.0 109.276 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -120.5 35.57 4.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 10.0 110.28 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.517 ' CA ' ' HB2' ' A' ' 8' ' ' LEU . . . -45.55 168.93 0.03 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.546 1.153 . . . . 10.0 111.021 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 57.7 mt -142.16 103.6 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.435 0.726 . . . . 10.0 109.323 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 1.069 HD12 ' N ' ' A' ' 19' ' ' ASN . 0.0 OUTLIER -115.41 128.66 72.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 10.0 109.266 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 1.069 ' N ' HD12 ' A' ' 18' ' ' ILE . 0.1 OUTLIER -123.79 145.89 48.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 10.0 109.31 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.945 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 5.3 m-85 -114.73 111.86 21.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 10.0 110.975 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -115.11 140.23 49.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 10.0 110.332 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.645 ' HG3' HG22 ' A' ' 29' ' ' VAL . 2.2 tt0 -142.21 62.35 1.43 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 10.0 110.314 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.3 mttt -75.08 59.83 0.98 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 10.0 109.287 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -154.5 139.17 16.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 10.0 110.307 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.3 m -87.32 -12.25 47.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 10.0 109.965 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -152.97 34.31 0.48 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 10.0 109.28 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -123.26 167.9 15.5 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.479 1.112 . . . . 10.0 111.018 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.406 ' HB3' ' N ' ' A' ' 102' ' ' SER . 18.2 Cg_endo -74.98 168.92 23.76 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.516 1.798 . . . . 10.0 111.023 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.645 HG22 ' HG3' ' A' ' 22' ' ' GLN . 37.5 t -89.98 113.56 26.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 10.0 109.268 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.405 ' O ' ' CE3' ' A' ' 32' ' ' TRP . 0.1 OUTLIER -68.85 97.58 0.85 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 10.0 109.291 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.463 HG22 ' CD2' ' A' ' 20' ' ' PHE . 54.4 t -94.94 124.69 47.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 10.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.418 ' HA ' ' O ' ' A' ' 97' ' ' VAL . 8.0 p90 -159.06 143.2 15.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 10.0 107.982 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.419 ' O ' ' HA ' ' A' ' 96' ' ' ASP . . . -157.23 -168.81 20.3 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.513 1.133 . . . . 10.0 110.982 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 74.0 m -157.0 122.83 4.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 0.772 . . . . 10.0 109.989 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.508 HG21 HD13 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -83.0 164.8 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 10.0 109.313 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.488 ' N ' HG23 ' A' ' 35' ' ' ILE . 16.9 mttt -155.8 105.74 2.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 10.0 109.308 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.455 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 144.04 -45.51 0.87 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.535 1.147 . . . . 10.0 110.966 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.625 HD22 ' CG ' ' A' ' 43' ' ' HIS . 0.6 OUTLIER -52.67 -170.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 0.799 . . . . 10.0 109.32 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.461 ' O ' ' N ' ' A' ' 41' ' ' GLY . 12.1 p -139.57 144.21 37.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 10.0 110.357 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.662 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 10.0 tt0 -40.42 95.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 10.0 110.277 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 39' ' ' THR . . . -177.48 -160.34 24.03 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.507 1.129 . . . . 10.0 111.018 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.461 HD12 ' C ' ' A' ' 41' ' ' GLY . 5.4 mp -104.79 136.4 44.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 0.769 . . . . 10.0 109.322 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.677 ' NE2' HG23 ' A' ' 87' ' ' VAL . 1.5 p80 -139.46 125.71 20.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 10.0 109.582 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.429 ' HA3' ' CG ' ' A' ' 120' ' ' HIS . . . -37.83 153.99 0.02 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.481 1.113 . . . . 10.0 110.987 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.477 ' CE2' HG12 ' A' ' 87' ' ' VAL . 0.2 OUTLIER -83.68 157.36 22.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 0.724 . . . . 10.0 110.985 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.649 ' CG ' HG23 ' A' ' 47' ' ' VAL . 0.1 OUTLIER -59.76 173.2 0.6 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 10.0 109.602 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.649 HG23 ' CG ' ' A' ' 46' ' ' HIS . 57.3 t 65.24 77.63 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 10.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.436 ' ND1' ' O ' ' A' ' 45' ' ' PHE . 55.2 m80 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 10.0 109.593 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.031 0 N-CA-C 111.005 -0.838 . . . . 10.0 111.005 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -123.74 89.06 3.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 0.791 . . . . 10.0 109.325 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -93.28 -73.09 0.57 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.105 . . . . 10.0 109.336 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -177.37 -87.62 0.07 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.476 1.11 . . . . 10.0 110.999 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -148.09 161.47 41.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 0.778 . . . . 10.0 109.325 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.677 HG23 ' NE2' ' A' ' 43' ' ' HIS . 5.1 m -117.58 -156.57 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 10.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.462 ' N ' HG23 ' A' ' 87' ' ' VAL . 0.7 OUTLIER -155.05 144.04 20.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.428 1.08 . . . . 10.0 110.392 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.662 ' HB3' ' HA ' ' A' ' 40' ' ' GLU . . . -85.37 175.11 9.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 10.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.431 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 9.1 t70 -82.96 -97.59 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 10.0 109.328 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.431 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 18.1 mtmt -136.25 9.61 3.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 10.0 109.362 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -153.41 23.2 0.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.165 . . . . 10.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.569 ' CA ' ' HB1' ' A' ' 89' ' ' ALA . . . 91.14 -34.29 4.35 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.428 1.08 . . . . 10.0 111.021 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.474 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 19.6 t -39.93 101.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.492 0.76 . . . . 10.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.495 ' HB3' ' HB ' ' A' ' 35' ' ' ILE . . . -104.49 116.4 32.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 10.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.419 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 1.3 t70 -105.09 150.26 25.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 10.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.418 ' O ' ' HA ' ' A' ' 32' ' ' TRP . 76.9 t -127.39 157.73 38.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 10.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 25.4 p -164.44 100.98 0.82 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 10.0 110.004 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.9 mt -144.11 165.52 13.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 10.0 109.307 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -133.5 107.31 7.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 10.0 110.292 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -103.55 128.1 50.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 10.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.406 ' N ' ' HB3' ' A' ' 28' ' ' PRO . 0.0 OUTLIER -111.89 -43.6 3.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 10.0 110.04 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 75.7 t -48.43 -42.14 11.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 10.0 109.345 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.788 ' C ' HD12 ' A' ' 104' ' ' ILE . 1.5 pp -77.8 174.92 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 10.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.42 140.43 15.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.421 1.076 . . . . 10.0 110.027 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.715 HD12 HD11 ' A' ' 113' ' ' ILE . 4.1 mm? -47.31 -45.73 24.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 10.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 12.3 p -143.61 153.18 42.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.429 1.081 . . . . 10.0 110.046 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 131.09 -130.72 6.16 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.486 1.116 . . . . 10.0 111.017 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.8 -42.65 49.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 0.774 . . . . 10.0 109.324 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 40.2 m80 -112.38 63.55 0.63 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 10.0 109.579 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 99.3 p -68.2 110.91 4.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 10.0 109.994 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.568 HD13 HD13 ' A' ' 104' ' ' ILE . 24.7 pt -88.39 -9.77 10.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 10.0 109.25 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.715 HD11 HD12 ' A' ' 106' ' ' LEU . 12.8 mm -64.14 100.38 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.502 1.126 . . . . 10.0 109.232 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 130.23 39.92 0.27 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.51 1.131 . . . . 10.0 110.988 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.432 ' O ' ' N ' ' A' ' 117' ' ' LEU . 14.8 mmm-85 -103.42 94.66 5.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 0.731 . . . . 10.0 110.317 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.814 HG23 ' SG ' ' A' ' 146' ' ' CYS . 57.9 m -58.72 85.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 10.0 110.414 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.541 HD22 HD21 ' A' ' 8' ' ' LEU . 0.7 OUTLIER -67.77 114.16 6.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 10.0 109.323 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.466 HG22 ' N ' ' A' ' 119' ' ' VAL . 2.0 p -135.78 164.59 32.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 10.0 109.304 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.466 ' N ' HG22 ' A' ' 118' ' ' VAL . 11.9 m -116.91 146.34 21.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 10.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' HIS . . . . . 0.429 ' CG ' ' HA3' ' A' ' 44' ' ' GLY . 10.5 m170 -84.82 141.68 30.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 10.0 109.605 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.615 ' HB2' HD11 ' A' ' 144' ' ' LEU . 1.5 tt0 -94.51 67.89 3.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 10.0 110.35 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.694 ' HB2' ' HB1' ' A' ' 140' ' ' ALA . 0.1 OUTLIER 168.27 177.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 10.0 109.304 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -115.77 115.65 26.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 10.0 109.305 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -64.61 -12.2 43.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 10.0 109.303 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 55.55 32.81 19.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 10.0 109.266 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.8 mt 52.33 22.47 2.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 10.0 109.268 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 129.53 128.93 3.08 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.512 1.132 . . . . 10.0 110.992 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.34 -25.11 31.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 0.771 . . . . 10.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 115.61 -46.0 1.22 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.503 1.127 . . . . 10.0 111.008 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -68.18 -162.51 2.27 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 110.979 -0.848 . . . . 10.0 110.979 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' ASN . . . . . 0.526 ' O ' ' CB ' ' A' ' 132' ' ' GLU . 14.8 p30 -143.63 147.9 35.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 0.747 . . . . 10.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.526 ' CB ' ' O ' ' A' ' 131' ' ' ASN . 7.0 tt0 88.47 31.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 10.0 110.311 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -159.82 -64.64 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 10.0 110.344 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 2.2 p -82.76 -12.49 57.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 10.0 110.029 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 61.9 p -79.82 -21.27 44.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 10.0 110.368 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.39 -40.24 4.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 10.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 47.0 p -124.04 -105.39 0.36 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 10.0 110.367 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -171.83 40.81 0.17 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.566 1.167 . . . . 10.0 110.966 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 139' ' ' ASN . . . . . 0.459 ' O ' ' HB2' ' A' ' 140' ' ' ALA . 25.9 t30 44.19 64.08 1.42 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 0.764 . . . . 10.0 109.315 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.694 ' HB1' ' HB2' ' A' ' 122' ' ' LYS . . . 177.75 -61.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.117 . . . . 10.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 141' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 140' ' ' ALA . . . 35.73 90.08 0.01 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.509 1.131 . . . . 10.0 111.028 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 142' ' ' SER . . . . . 0.459 ' CB ' ' HB3' ' A' ' 121' ' ' GLU . 0.6 OUTLIER -130.86 93.0 3.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 0.744 . . . . 10.0 110.012 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 143' ' ' ARG . . . . . 0.429 ' NH1' ' HB2' ' A' ' 143' ' ' ARG . 13.4 mtp-105 -71.83 138.51 48.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 10.0 110.307 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.615 HD11 ' HB2' ' A' ' 121' ' ' GLU . 9.6 mt -141.94 -70.44 0.35 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 10.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 145' ' ' ALA . . . . . 0.586 ' CB ' HD12 ' A' ' 8' ' ' LEU . . . -73.84 172.03 12.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 10.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 146' ' ' CYS . . . . . 0.814 ' SG ' HG23 ' A' ' 116' ' ' THR . 5.2 t -156.1 68.88 0.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.117 . . . . 10.0 108.286 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 147' ' ' GLY . . . . . 0.554 ' O ' ' HB1' ' A' ' 6' ' ' ALA . . . -80.05 68.18 3.31 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.482 1.114 . . . . 10.0 111.003 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.487 HG23 ' SG ' ' A' ' 146' ' ' CYS . 3.0 t -59.88 136.67 23.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.496 0.762 . . . . 10.0 109.319 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 149' ' ' ILE . . . . . 0.539 HG12 ' CD1' ' A' ' 20' ' ' PHE . 3.4 tp -88.46 113.06 24.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 10.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -131.86 148.22 18.97 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.461 1.101 . . . . 10.0 110.987 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 38.7 mm -59.84 144.01 13.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.479 0.753 . . . . 10.0 109.307 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 152' ' ' ALA . . . . . 0.6 ' HB3' HG23 ' A' ' 5' ' ' VAL . . . -146.19 169.18 19.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 10.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 10.0 110.259 -179.964 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.727 HG23 HD12 ' A' ' 151' ' ' ILE . 2.9 m . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.363 -0.236 . . . . 10.0 110.363 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 60.0 tttt -111.97 136.63 51.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.107 . . . . 10.0 109.293 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.996 ' HB3' ' HB2' ' A' ' 20' ' ' PHE . . . -111.93 158.0 20.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 10.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.637 HG23 ' HB3' ' A' ' 152' ' ' ALA . 2.0 t -138.01 151.3 25.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 10.0 109.318 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.718 ' HB1' ' O ' ' A' ' 147' ' ' GLY . . . -155.27 90.0 1.24 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.424 1.078 . . . . 10.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.457 ' O ' HG23 ' A' ' 7' ' ' VAL . 28.6 m -81.22 108.16 14.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 10.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.496 HD22 ' HA3' ' A' ' 147' ' ' GLY . 0.2 OUTLIER -52.12 138.96 24.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 10.0 109.346 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.9 tttt -173.0 117.26 0.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 10.0 109.269 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -171.32 -84.39 0.06 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.493 1.121 . . . . 10.0 111.034 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.522 ' HB3' HG12 ' A' ' 14' ' ' VAL . 18.1 t70 -40.39 -42.62 1.62 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 0.748 . . . . 10.0 109.342 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 135.95 -61.43 0.62 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.443 1.09 . . . . 10.0 111.052 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -51.04 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.553 1.817 . . . . 10.0 111.02 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.598 HG23 HD12 ' A' ' 38' ' ' LEU . 14.4 p -53.25 101.49 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 10.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.73 50.31 1.63 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 10.0 110.295 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.489 ' CA ' ' HA ' ' A' ' 35' ' ' ILE . . . -56.71 165.36 5.18 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.466 1.104 . . . . 10.0 110.968 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 30.7 mt -140.47 101.8 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 0.75 . . . . 10.0 109.29 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.798 HD13 ' C ' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -119.48 138.96 48.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 10.0 109.286 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.598 ' N ' HD13 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -128.43 169.05 14.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 10.0 109.335 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.996 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 1.8 m-85 -125.89 133.45 51.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 10.0 111.021 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -123.64 124.56 43.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 10.0 110.289 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.582 ' HG3' HG22 ' A' ' 29' ' ' VAL . 1.9 tt0 -155.15 81.04 1.06 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.108 . . . . 10.0 110.287 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.3 mtpt -85.53 48.82 1.65 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 10.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.417 ' HB3' ' N ' ' A' ' 27' ' ' GLY . 6.5 mm-40 -155.39 141.63 18.48 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.117 . . . . 10.0 110.279 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.81 -10.51 59.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 10.0 110.004 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 49.8 p30 -154.61 33.42 0.41 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 10.0 109.306 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.417 ' N ' ' HB3' ' A' ' 24' ' ' GLU . . . -111.43 -179.17 20.18 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.484 1.115 . . . . 10.0 111.027 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.462 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 18.2 Cg_endo -75.06 156.86 42.76 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.539 1.81 . . . . 10.0 110.989 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.669 ' O ' HG23 ' A' ' 31' ' ' VAL . 24.8 t -109.72 97.07 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 10.0 109.278 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 34.9 mttt -66.0 93.49 0.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 10.0 109.301 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 29' ' ' VAL . 13.0 t -92.62 138.17 20.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 10.0 109.286 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.421 ' HA ' ' O ' ' A' ' 97' ' ' VAL . 7.1 p90 -161.1 152.82 19.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 10.0 108.016 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.403 ' O ' ' HA ' ' A' ' 96' ' ' ASP . . . -169.3 -174.04 37.42 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.556 1.16 . . . . 10.0 110.996 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 25.6 p -157.53 124.97 5.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 0.756 . . . . 10.0 110.003 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.677 HG21 HD13 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -84.79 163.16 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 10.0 109.275 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.507 ' CG ' ' O ' ' A' ' 35' ' ' ILE . 26.4 mttm -157.13 106.59 2.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 10.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.406 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 141.19 -39.99 1.38 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.503 1.127 . . . . 10.0 110.941 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.702 HD11 HG11 ' A' ' 119' ' ' VAL . 0.3 OUTLIER -54.02 -170.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 0.759 . . . . 10.0 109.325 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.3 p -130.62 136.33 48.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 10.0 110.388 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.784 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -39.21 122.16 1.23 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 10.0 110.282 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.485 ' C ' HD13 ' A' ' 42' ' ' LEU . . . 155.1 -147.45 16.47 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.449 1.093 . . . . 10.0 111.002 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.485 HD13 ' C ' ' A' ' 41' ' ' GLY . 0.3 OUTLIER -102.81 150.7 23.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 0.782 . . . . 10.0 109.284 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.639 ' CG ' HD22 ' A' ' 38' ' ' LEU . 41.3 m-70 -151.28 115.95 5.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 10.0 109.594 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.538 ' CA ' ' HB2' ' A' ' 120' ' ' HIS . . . -71.28 78.23 0.56 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.53 1.144 . . . . 10.0 111.018 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.639 ' CZ ' ' CB ' ' A' ' 117' ' ' LEU . 1.0 OUTLIER -72.92 114.39 11.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.442 0.731 . . . . 10.0 110.981 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.411 ' NE2' ' CE1' ' A' ' 120' ' ' HIS . 13.0 p80 -175.93 176.14 1.85 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 10.0 109.594 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.506 HG22 ' O ' ' A' ' 116' ' ' THR . 9.5 t -77.91 160.19 4.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 10.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.603 ' CD2' ' O ' ' A' ' 142' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 10.0 109.575 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 111.042 -0.823 . . . . 10.0 111.042 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -51.98 136.24 29.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 0.752 . . . . 10.0 109.27 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 14.3 tp -164.21 47.29 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 10.0 109.277 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 38.58 -157.48 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.496 1.123 . . . . 10.0 110.975 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.488 ' HB2' HD23 ' A' ' 126' ' ' LEU . 3.8 m-20 -127.65 175.71 8.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 0.745 . . . . 10.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 23.6 m -130.33 -164.54 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 10.0 109.331 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.438 ' HA ' ' O ' ' A' ' 41' ' ' GLY . 23.3 m -151.05 138.3 19.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 10.0 110.404 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.784 ' HB3' ' HA ' ' A' ' 40' ' ' GLU . . . -84.99 175.08 9.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 10.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.448 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 15.4 t0 -86.95 -98.63 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 10.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.448 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 19.9 pttt -136.9 9.75 3.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 10.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -146.59 18.58 1.32 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 10.0 109.269 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.452 ' CA ' ' HB1' ' A' ' 89' ' ' ALA . . . 90.04 -24.62 14.94 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.493 1.121 . . . . 10.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.524 HG13 ' O ' ' A' ' 35' ' ' ILE . 15.1 t -48.03 110.39 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.543 0.79 . . . . 10.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -118.15 121.39 40.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 10.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.403 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 3.8 p-10 -112.28 152.64 28.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 10.0 109.305 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.421 ' O ' ' HA ' ' A' ' 32' ' ' TRP . 55.7 t -134.37 159.76 41.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 10.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 93.2 p -164.48 99.42 0.81 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 10.0 109.968 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 4.3 mt -125.75 146.36 31.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 10.0 109.302 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -131.22 90.34 2.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 10.0 110.285 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.462 ' O ' ' CB ' ' A' ' 28' ' ' PRO . 0.4 OUTLIER -113.03 162.37 15.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 10.0 109.268 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 26.8 p -134.06 31.18 3.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 10.0 110.04 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -105.84 -42.12 6.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 10.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.424 ' HA ' ' CG ' ' A' ' 110' ' ' HIS . 0.0 OUTLIER -70.34 177.31 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 10.0 109.303 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 105' ' ' SER . . . . . 0.606 ' O ' HG23 ' A' ' 112' ' ' ILE . 3.2 m -150.97 146.99 26.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 10.0 109.962 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.543 HD22 HD11 ' A' ' 113' ' ' ILE . 12.7 mt -62.74 -53.8 48.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 10.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 5.5 t -144.99 68.67 1.24 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 10.0 110.002 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -141.58 -144.28 4.37 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.448 1.092 . . . . 10.0 111.012 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -55.82 -32.13 63.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 0.768 . . . . 10.0 109.292 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' HIS . . . . . 0.424 ' CG ' ' HA ' ' A' ' 104' ' ' ILE . 10.9 m80 -94.37 -55.8 3.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 10.0 109.607 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 4.5 t 53.39 99.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 10.0 109.97 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.775 HD13 ' CE2' ' A' ' 20' ' ' PHE . 1.3 pp -89.96 -26.16 5.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 10.0 109.328 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.543 HD11 HD22 ' A' ' 106' ' ' LEU . 18.0 mm -50.25 122.57 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 10.0 109.351 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 107.17 8.02 31.95 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.557 1.16 . . . . 10.0 110.976 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.939 ' O ' HD12 ' A' ' 149' ' ' ILE . 18.4 mtt180 -98.13 148.8 23.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 0.801 . . . . 10.0 110.284 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.543 HG23 ' CG2' ' A' ' 118' ' ' VAL . 8.1 t -142.22 134.72 28.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 10.0 110.392 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.639 ' CB ' ' CZ ' ' A' ' 45' ' ' PHE . 0.3 OUTLIER -90.73 76.55 6.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 10.0 109.332 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 1.02 HG13 ' O ' ' A' ' 145' ' ' ALA . 2.7 t -72.3 99.61 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 10.0 109.279 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.702 HG11 HD11 ' A' ' 38' ' ' LEU . 21.1 m -41.61 146.66 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 10.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' HIS . . . . . 0.541 ' CD2' ' HB3' ' A' ' 140' ' ' ALA . 0.0 OUTLIER -84.52 115.68 22.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 10.0 109.588 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.591 ' HA ' HD11 ' A' ' 144' ' ' LEU . 3.5 tm-20 -38.57 -28.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 10.0 110.342 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 120' ' ' HIS . 1.6 ttmt -151.78 155.53 38.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 10.0 109.301 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -50.26 176.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 10.0 109.278 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.408 ' CG ' ' O ' ' A' ' 127' ' ' GLY . 57.0 t0 -138.61 44.9 2.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 10.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 47.11 27.79 0.84 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 10.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.488 HD23 ' HB2' ' A' ' 86' ' ' ASN . 25.6 mt 54.86 19.6 2.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 10.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 127' ' ' GLY . . . . . 0.408 ' O ' ' CG ' ' A' ' 124' ' ' ASP . . . -175.28 -109.07 0.23 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.506 1.129 . . . . 10.0 111.02 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 44.8 mtmt -123.11 -77.2 0.59 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 0.754 . . . . 10.0 109.264 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 86.13 -38.41 3.07 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.485 1.116 . . . . 10.0 111.011 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -106.32 -155.24 21.05 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.008 -0.837 . . . . 10.0 111.008 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -149.32 143.96 26.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 0.749 . . . . 10.0 109.266 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 51.97 28.14 4.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 10.0 110.292 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -153.29 -78.81 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 10.0 110.328 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 134' ' ' SER . . . . . 0.47 ' HA ' ' CA ' ' A' ' 138' ' ' GLY . 39.8 m -62.65 -22.61 66.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 10.0 110.008 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 23.5 p -68.24 -34.8 76.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 10.0 110.389 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 16.7 pttt -96.58 -24.44 16.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 10.0 109.321 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 137' ' ' THR . . . . . 0.428 ' OG1' ' N ' ' A' ' 138' ' ' GLY . 81.1 p -136.36 -100.84 0.21 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 10.0 110.416 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 138' ' ' GLY . . . . . 0.47 ' CA ' ' HA ' ' A' ' 134' ' ' SER . . . 174.24 36.93 0.04 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.54 1.15 . . . . 10.0 110.96 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 139' ' ' ASN . . . . . 0.422 ' C ' ' O ' ' A' ' 138' ' ' GLY . 51.4 t30 37.41 32.89 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 0.764 . . . . 10.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.541 ' HB3' ' CD2' ' A' ' 120' ' ' HIS . . . -115.26 -63.15 1.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 10.0 109.334 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 116.71 68.91 0.41 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.474 1.108 . . . . 10.0 111.001 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 142' ' ' SER . . . . . 0.603 ' O ' ' CD2' ' A' ' 48' ' ' HIS . 68.8 p -58.07 101.38 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 0.756 . . . . 10.0 110.017 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 143' ' ' ARG . . . . . 0.686 ' C ' HD12 ' A' ' 144' ' ' LEU . 6.4 mtt85 -165.19 93.71 0.61 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 10.0 110.271 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.686 HD12 ' C ' ' A' ' 143' ' ' ARG . 5.6 mp -152.94 -103.18 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 10.0 109.27 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 145' ' ' ALA . . . . . 1.02 ' O ' HG13 ' A' ' 118' ' ' VAL . . . -77.14 175.56 9.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 10.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -153.48 68.44 0.79 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 10.0 108.309 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 147' ' ' GLY . . . . . 0.718 ' O ' ' HB1' ' A' ' 6' ' ' ALA . . . -68.27 60.83 0.41 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.498 1.124 . . . . 10.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.448 ' CG2' ' HB ' ' A' ' 116' ' ' THR . 2.9 t -57.41 104.6 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.52 0.776 . . . . 10.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 149' ' ' ILE . . . . . 0.939 HD12 ' O ' ' A' ' 115' ' ' ARG . 4.2 mp -56.31 122.47 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 10.0 109.267 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -142.72 137.5 7.78 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.514 1.133 . . . . 10.0 110.968 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 151' ' ' ILE . . . . . 0.727 HD12 HG23 ' A' ' 2' ' ' THR . 27.4 mm -52.6 146.87 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.463 0.743 . . . . 10.0 109.312 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 152' ' ' ALA . . . . . 0.637 ' HB3' HG23 ' A' ' 5' ' ' VAL . . . -150.22 174.81 12.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 10.0 109.279 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 10.0 110.322 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.788 ' HB ' HD22 ' A' ' 106' ' ' LEU . 54.0 m . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 110.371 -0.233 . . . . 10.0 110.371 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.415 ' N ' HG22 ' A' ' 2' ' ' THR . 0.5 OUTLIER -115.3 99.24 7.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 10.0 109.304 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.96 ' HB3' ' HB2' ' A' ' 20' ' ' PHE . . . -84.82 169.32 14.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 10.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.425 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -148.08 145.34 18.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 10.0 109.358 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.888 ' HB3' ' CG1' ' A' ' 18' ' ' ILE . . . -138.3 104.72 5.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 10.0 109.306 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 70.2 t -84.3 88.14 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 10.0 109.266 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.586 HD22 ' HA3' ' A' ' 147' ' ' GLY . 2.2 mm? -40.7 146.93 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 10.0 109.273 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.44 129.06 0.2 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 10.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.434 ' O ' ' C ' ' A' ' 11' ' ' ASP . . . -178.62 -91.92 0.08 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.485 1.115 . . . . 10.0 111.034 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 10' ' ' GLY . 33.9 t0 -38.11 -36.16 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 0.762 . . . . 10.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 137.04 -64.55 0.57 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.515 1.135 . . . . 10.0 110.983 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.469 ' O ' ' N ' ' A' ' 15' ' ' GLN . 18.3 Cg_endo -75.0 -37.08 2.18 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.5 1.789 . . . . 10.0 110.965 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.733 HG12 ' O ' ' A' ' 14' ' ' VAL . 1.9 t -54.9 88.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 10.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 13' ' ' PRO . 0.2 OUTLIER -113.5 35.28 4.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 10.0 110.32 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.53 ' CA ' ' HB2' ' A' ' 8' ' ' LEU . . . -47.29 163.17 0.22 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.46 1.1 . . . . 10.0 110.994 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.405 HG13 ' C ' ' A' ' 16' ' ' GLY . 64.4 mt -142.5 105.98 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.538 0.787 . . . . 10.0 109.25 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.888 ' CG1' ' HB3' ' A' ' 6' ' ' ALA . 0.6 OUTLIER -99.3 159.45 3.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 10.0 109.283 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.584 ' N ' HD12 ' A' ' 18' ' ' ILE . 0.1 OUTLIER -144.05 116.76 8.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 10.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.96 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 1.9 m-30 -95.07 96.45 9.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 10.0 111.014 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -107.61 122.99 47.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 10.0 110.299 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.652 ' HB2' HG13 ' A' ' 29' ' ' VAL . 9.0 tt0 -135.39 59.26 1.73 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 10.0 110.276 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -73.0 63.07 0.64 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 10.0 109.307 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.461 ' O ' ' CB ' ' A' ' 25' ' ' SER . 31.2 mm-40 -132.69 -52.49 0.93 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 10.0 110.339 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.461 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 0.2 OUTLIER 83.39 -10.03 1.01 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 10.0 110.028 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -157.35 26.0 0.3 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 10.0 109.325 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -133.93 -174.43 13.52 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.506 1.129 . . . . 10.0 110.972 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.458 ' HA ' ' O ' ' A' ' 101' ' ' ASP . 18.2 Cg_endo -75.03 157.4 42.67 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.535 1.808 . . . . 10.0 110.979 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.652 HG13 ' HB2' ' A' ' 22' ' ' GLN . 24.3 t -88.51 120.64 37.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 10.0 109.343 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.0 tttt -69.79 91.22 0.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 10.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.579 HG13 ' CE1' ' A' ' 20' ' ' PHE . 92.6 t -88.58 119.23 35.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 10.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -159.67 160.42 34.16 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.03 -1.1 . . . . 10.0 108.03 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.421 ' O ' ' HA ' ' A' ' 96' ' ' ASP . . . 179.43 -162.84 29.86 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.488 1.117 . . . . 10.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.9 p -156.58 124.17 5.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 0.785 . . . . 10.0 110.043 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.497 HG23 ' N ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -84.26 166.06 2.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.111 . . . . 10.0 109.293 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.497 ' N ' HG23 ' A' ' 35' ' ' ILE . 12.0 mttt -152.05 96.36 2.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 10.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.448 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 148.77 -34.14 1.14 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.456 1.098 . . . . 10.0 111.015 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.679 HD12 ' CG ' ' A' ' 43' ' ' HIS . 0.2 OUTLIER -53.04 -170.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 0.742 . . . . 10.0 109.319 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.416 ' O ' ' N ' ' A' ' 41' ' ' GLY . 20.4 p -137.43 142.82 41.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 10.0 110.425 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.452 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 8.0 tm-20 -39.04 98.22 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.142 . . . . 10.0 110.348 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 39' ' ' THR . . . 161.76 176.59 34.01 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.484 1.115 . . . . 10.0 110.972 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.401 ' HA ' ' O ' ' A' ' 87' ' ' VAL . 1.0 OUTLIER -74.72 146.45 42.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 0.775 . . . . 10.0 109.322 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.679 ' CG ' HD12 ' A' ' 38' ' ' LEU . 7.5 p80 -153.25 151.14 29.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.401 1.063 . . . . 10.0 109.61 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -82.25 159.45 39.16 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.528 1.142 . . . . 10.0 111.021 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.58 ' CZ ' ' HB3' ' A' ' 117' ' ' LEU . 58.3 t80 -169.03 97.45 0.36 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.428 0.722 . . . . 10.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.469 ' CD2' ' HB3' ' A' ' 48' ' ' HIS . 3.4 p-80 -167.42 175.56 7.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 10.0 109.566 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.688 HG21 ' HG3' ' A' ' 115' ' ' ARG . 3.5 t -95.11 109.58 22.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 10.0 109.299 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.469 ' HB3' ' CD2' ' A' ' 46' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 10.0 109.575 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.437 ' O ' ' C ' ' A' ' 83' ' ' ASP . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 110.958 -0.857 . . . . 10.0 110.958 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.799 ' O ' HD12 ' A' ' 84' ' ' LEU . 9.1 p-10 36.59 82.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 0.784 . . . . 10.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.799 HD12 ' O ' ' A' ' 83' ' ' ASP . 0.0 OUTLIER 172.18 114.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 10.0 109.312 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -54.4 -167.16 0.03 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.493 1.121 . . . . 10.0 110.982 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 64.6 m-20 -94.02 163.32 13.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 0.774 . . . . 10.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.429 HG12 ' H ' ' A' ' 88' ' ' THR . 2.5 t -127.63 167.93 21.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 10.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.429 ' H ' HG12 ' A' ' 87' ' ' VAL . 92.7 m -139.96 150.67 44.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 10.0 110.408 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.581 ' HB1' ' CA ' ' A' ' 93' ' ' GLY . . . -87.6 164.43 16.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 10.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.437 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 5.6 t70 -79.65 -94.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 10.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.513 ' CG ' ' O ' ' A' ' 91' ' ' LYS . 11.9 tttt -139.47 12.99 2.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 10.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -152.84 22.9 0.58 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.085 . . . . 10.0 109.269 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.581 ' CA ' ' HB1' ' A' ' 89' ' ' ALA . . . 93.1 -35.57 4.05 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.48 1.112 . . . . 10.0 111.033 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.452 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 55.6 t -41.55 108.74 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 0.766 . . . . 10.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -114.53 118.36 33.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.116 . . . . 10.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.421 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 4.1 p-10 -102.06 146.21 28.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.138 . . . . 10.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.429 HG12 ' N ' ' A' ' 98' ' ' SER . 30.6 t -114.5 163.58 11.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 10.0 109.345 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.429 ' N ' HG12 ' A' ' 97' ' ' VAL . 90.6 p -168.34 96.06 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 10.0 110.02 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.8 mt -143.56 159.25 16.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.497 1.123 . . . . 10.0 109.304 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -122.0 105.18 10.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.136 . . . . 10.0 110.259 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.458 ' O ' ' HA ' ' A' ' 28' ' ' PRO . 1.5 m-20 -84.35 109.46 17.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.453 1.095 . . . . 10.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 62.9 p -92.82 -7.08 47.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 10.0 109.95 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 77.1 t -86.48 -84.03 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 10.0 109.311 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.747 ' C ' HD12 ' A' ' 104' ' ' ILE . 1.7 pp -57.58 173.91 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 10.0 109.269 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 20.2 p 179.98 179.86 0.51 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.559 1.162 . . . . 10.0 110.004 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.788 HD22 ' HB ' ' A' ' 2' ' ' THR . 0.9 OUTLIER -99.01 48.76 0.96 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 10.0 109.274 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.465 ' O ' ' N ' ' A' ' 109' ' ' ASP . 0.3 OUTLIER -105.68 60.97 0.66 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 10.0 109.992 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.473 ' O ' ' CB ' ' A' ' 111' ' ' SER . . . 52.52 -87.52 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.511 1.132 . . . . 10.0 111.0 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 107' ' ' SER . 0.3 OUTLIER -55.43 -34.63 64.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 0.745 . . . . 10.0 109.333 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 110' ' ' HIS . . . . . 0.464 ' O ' ' C ' ' A' ' 111' ' ' SER . 12.4 m80 -84.53 -16.76 41.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 10.0 109.572 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.473 ' CB ' ' O ' ' A' ' 108' ' ' GLY . 76.3 p -33.52 116.96 0.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 10.0 110.008 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.686 HG21 HD13 ' A' ' 104' ' ' ILE . 0.1 OUTLIER -85.97 -12.81 11.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 10.0 109.304 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.524 HD13 HG22 ' A' ' 149' ' ' ILE . 34.8 mm -40.07 113.77 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 10.0 109.327 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 116.63 20.66 4.94 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.556 1.16 . . . . 10.0 111.019 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.814 ' HB3' HD13 ' A' ' 149' ' ' ILE . 0.0 OUTLIER -84.72 106.95 16.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 0.78 . . . . 10.0 110.261 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.645 ' C ' HG22 ' A' ' 47' ' ' VAL . 5.4 m -89.98 83.0 6.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 10.0 110.419 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.58 ' HB3' ' CZ ' ' A' ' 45' ' ' PHE . 2.7 mm? -71.09 76.6 0.68 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 10.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.551 HG13 ' O ' ' A' ' 145' ' ' ALA . 2.7 t -66.97 139.47 21.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 10.0 109.271 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.548 HG12 ' HD1' ' A' ' 45' ' ' PHE . 1.9 m -99.64 133.17 43.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 10.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' HIS . . . . . 0.416 ' ND1' ' HA2' ' A' ' 141' ' ' GLY . 10.6 m-70 -91.3 140.71 29.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 10.0 109.613 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -46.87 -25.99 0.88 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 10.0 110.278 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 3.1 tttp -145.29 -171.89 3.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 10.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.466 ' HB2' ' N ' ' A' ' 43' ' ' HIS . . . -111.82 -166.07 1.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 10.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.415 ' C ' ' N ' ' A' ' 126' ' ' LEU . 4.9 t70 -101.16 5.1 42.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 10.0 109.262 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 48.12 24.06 0.6 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 10.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.415 ' N ' ' C ' ' A' ' 124' ' ' ASP . 7.5 mt 59.89 15.8 5.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.117 . . . . 10.0 109.295 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 172.32 -46.75 0.17 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.483 1.115 . . . . 10.0 111.03 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 129' ' ' GLY . 0.0 OUTLIER 49.48 23.64 0.94 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 0.799 . . . . 10.0 109.278 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 0.426 ' C ' ' O ' ' A' ' 128' ' ' LYS . . . 35.73 45.32 0.76 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.492 1.12 . . . . 10.0 110.972 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 130' ' ' GLY . . . . . 0.497 ' O ' HG23 ' A' ' 135' ' ' THR . . . -133.89 160.63 24.14 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.047 -0.821 . . . . 10.0 111.047 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -138.55 134.09 33.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 0.777 . . . . 10.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 73.05 7.66 5.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.567 1.167 . . . . 10.0 110.292 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -132.7 -66.66 0.67 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 10.0 110.285 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 134' ' ' SER . . . . . 0.442 ' HA ' ' CA ' ' A' ' 138' ' ' GLY . 95.0 p -83.98 -23.57 30.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 10.0 110.007 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 135' ' ' THR . . . . . 0.497 HG23 ' O ' ' A' ' 130' ' ' GLY . 1.2 p -66.65 -16.4 64.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 10.0 110.391 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.502 ' HG3' HG23 ' A' ' 137' ' ' THR . 3.0 pttt -109.06 -46.08 3.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 10.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 137' ' ' THR . . . . . 0.502 HG23 ' HG3' ' A' ' 136' ' ' LYS . 19.5 p -117.88 -82.05 0.63 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 10.0 110.408 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 138' ' ' GLY . . . . . 0.442 ' CA ' ' HA ' ' A' ' 134' ' ' SER . . . 160.85 42.68 0.02 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.498 1.124 . . . . 10.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 39.45 33.07 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 0.766 . . . . 10.0 109.334 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.4 ' N ' ' C ' ' A' ' 138' ' ' GLY . . . -154.49 24.89 0.46 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 10.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 141' ' ' GLY . . . . . 0.416 ' HA2' ' ND1' ' A' ' 120' ' ' HIS . . . -80.52 81.34 1.58 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.498 1.124 . . . . 10.0 111.027 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 142' ' ' SER . . . . . 0.409 ' O ' ' O ' ' A' ' 143' ' ' ARG . 4.9 t -111.3 -14.82 13.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 0.786 . . . . 10.0 109.964 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 143' ' ' ARG . . . . . 0.409 ' HB3' HG11 ' A' ' 118' ' ' VAL . 6.5 mtm180 60.69 132.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 10.0 110.288 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.639 ' O ' ' HB2' ' A' ' 145' ' ' ALA . 0.4 OUTLIER -170.08 58.44 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 10.0 109.329 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 145' ' ' ALA . . . . . 0.639 ' HB2' ' O ' ' A' ' 144' ' ' LEU . . . 166.57 149.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 10.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 146' ' ' CYS . . . . . 0.534 ' HB3' HG23 ' A' ' 116' ' ' THR . 9.0 m -155.01 60.51 0.65 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.095 . . . . 10.0 108.304 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 147' ' ' GLY . . . . . 0.586 ' HA3' HD22 ' A' ' 8' ' ' LEU . . . -43.89 -51.14 7.18 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.483 1.115 . . . . 10.0 111.0 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 2.3 t 65.56 123.88 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.487 0.757 . . . . 10.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 149' ' ' ILE . . . . . 0.943 HG23 ' HB1' ' A' ' 4' ' ' ALA . 1.8 mp -79.01 129.46 37.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 10.0 109.256 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -132.83 152.44 20.31 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.512 1.132 . . . . 10.0 110.941 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 151' ' ' ILE . . . . . 0.574 HD12 HG21 ' A' ' 2' ' ' THR . 45.3 mm -69.45 133.21 32.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.541 0.789 . . . . 10.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -90.88 174.62 7.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.109 . . . . 10.0 109.315 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 3.7 pp0? . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 10.0 110.243 -179.972 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.736 HG21 HD12 ' A' ' 151' ' ' ILE . 94.4 m . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.356 -0.239 . . . . 10.0 110.356 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.749 ' O ' ' HB3' ' A' ' 152' ' ' ALA . 4.6 tttt -87.61 110.35 20.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 10.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.866 ' HB3' ' HB2' ' A' ' 20' ' ' PHE . . . -93.09 167.61 11.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 10.0 109.345 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.639 HG22 ' HB2' ' A' ' 152' ' ' ALA . 0.0 OUTLIER -144.59 141.43 23.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 10.0 109.3 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.955 ' HB3' ' CG1' ' A' ' 18' ' ' ILE . . . -134.56 105.76 6.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 10.0 109.286 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.55 ' O ' HG13 ' A' ' 7' ' ' VAL . 9.3 p -83.59 96.96 4.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 10.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.497 HD13 ' O ' ' A' ' 117' ' ' LEU . 0.3 OUTLIER -43.21 145.24 0.56 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.113 . . . . 10.0 109.238 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 29.2 tttt -166.31 117.51 1.0 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.084 . . . . 10.0 109.346 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 11' ' ' ASP . . . -154.1 -107.55 0.3 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.492 1.12 . . . . 10.0 110.95 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.426 ' OD1' ' C ' ' A' ' 11' ' ' ASP . 3.8 t0 -38.87 -59.19 0.99 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 0.747 . . . . 10.0 109.332 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.483 ' N ' ' CD ' ' A' ' 13' ' ' PRO . . . 165.53 -52.3 0.27 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.45 1.093 . . . . 10.0 111.05 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.483 ' CD ' ' N ' ' A' ' 12' ' ' GLY . 18.4 Cg_endo -74.99 -26.43 10.94 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.498 1.789 . . . . 10.0 111.022 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.634 HG11 ' HB2' ' A' ' 145' ' ' ALA . 34.8 t -66.4 89.07 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 10.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -116.82 31.21 6.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 10.0 110.322 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.482 ' N ' ' HB2' ' A' ' 8' ' ' LEU . . . -46.66 162.54 0.18 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.448 1.092 . . . . 10.0 110.97 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 36.5 mt -140.64 102.87 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 0.769 . . . . 10.0 109.321 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.955 ' CG1' ' HB3' ' A' ' 6' ' ' ALA . 0.8 OUTLIER -96.5 162.02 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 10.0 109.278 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.507 ' N ' HD12 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -142.01 119.46 11.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 10.0 109.288 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.866 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 1.6 m-85 -95.0 108.52 20.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 10.0 111.037 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.09 121.36 44.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.1 . . . . 10.0 110.332 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -123.05 71.92 1.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 10.0 110.323 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.7 mttt -72.12 61.46 0.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.107 . . . . 10.0 109.266 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.504 ' O ' ' CB ' ' A' ' 25' ' ' SER . 0.6 OUTLIER -155.87 -47.03 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 10.0 110.316 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 2.6 t 85.15 -12.52 0.7 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 10.0 110.014 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 41.6 p30 -159.22 26.89 0.2 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 10.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -125.47 -150.67 7.79 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.521 1.138 . . . . 10.0 111.013 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.475 ' HB3' ' CA ' ' A' ' 102' ' ' SER . 18.1 Cg_endo -75.0 165.23 31.75 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.51 1.795 . . . . 10.0 110.984 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.754 ' O ' HG23 ' A' ' 31' ' ' VAL . 43.4 t -113.11 99.18 8.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 10.0 109.273 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.4 mttt -52.62 92.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 10.0 109.277 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.754 HG23 ' O ' ' A' ' 29' ' ' VAL . 97.2 t -84.87 127.07 40.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 10.0 109.299 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.482 ' CD1' ' N ' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -162.46 163.35 27.63 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.979 -1.119 . . . . 10.0 107.979 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.482 ' N ' ' CD1' ' A' ' 32' ' ' TRP . . . 168.74 -164.59 38.19 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.523 1.139 . . . . 10.0 111.006 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 88.0 p -157.2 120.21 4.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 0.776 . . . . 10.0 109.991 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.997 HG21 HD13 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -83.97 167.93 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 10.0 109.286 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.542 ' N ' HG23 ' A' ' 35' ' ' ILE . 15.5 mttt -153.92 115.85 4.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 10.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.472 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 127.23 -39.52 1.93 Allowed Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.543 1.152 . . . . 10.0 111.03 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.997 HD13 HG21 ' A' ' 35' ' ' ILE . 1.0 OUTLIER -52.63 -169.22 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 0.742 . . . . 10.0 109.301 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 70.2 p -128.15 150.61 49.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 10.0 110.435 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.729 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 7.4 pt-20 -57.07 117.59 4.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 10.0 110.31 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 145.9 158.36 7.69 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.452 1.095 . . . . 10.0 111.002 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.837 HD23 ' OG1' ' A' ' 88' ' ' THR . 6.6 mt -51.33 161.34 0.46 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 0.793 . . . . 10.0 109.331 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.471 ' HB2' ' CG2' ' A' ' 87' ' ' VAL . 80.2 m-70 -142.6 175.28 9.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.137 . . . . 10.0 109.605 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.447 ' C ' ' CD1' ' A' ' 45' ' ' PHE . . . -70.34 -131.83 0.08 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.501 1.126 . . . . 10.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.566 ' CD1' ' N ' ' A' ' 45' ' ' PHE . 1.1 m-85 -139.55 174.37 10.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 0.788 . . . . 10.0 111.008 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.605 ' HB2' HD13 ' A' ' 117' ' ' LEU . 0.0 OUTLIER -107.92 174.31 5.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 10.0 109.589 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.442 HG13 ' HD2' ' A' ' 115' ' ' ARG . 15.0 t 71.61 126.79 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 10.0 109.309 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.547 ' CG ' ' O ' ' A' ' 48' ' ' HIS . 14.2 p-80 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 10.0 109.599 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.01 -0.836 . . . . 10.0 111.01 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 10.7 t70 49.88 96.07 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 0.757 . . . . 10.0 109.311 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -159.53 -81.61 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 10.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 161.54 168.75 23.88 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.507 1.129 . . . . 10.0 110.997 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.561 ' OD1' ' CE2' ' A' ' 45' ' ' PHE . 0.7 OUTLIER -86.88 148.34 25.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.398 0.705 . . . . 10.0 109.286 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.471 ' CG2' ' HB2' ' A' ' 43' ' ' HIS . 4.0 m -109.21 177.3 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 10.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.837 ' OG1' HD23 ' A' ' 42' ' ' LEU . 85.7 m -149.9 157.25 42.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 10.0 110.42 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.729 ' HB3' ' HA ' ' A' ' 40' ' ' GLU . . . -99.44 161.03 13.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 10.0 109.267 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.451 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 13.0 t0 -73.74 -97.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 10.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.451 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 8.7 ptmt -138.82 12.63 2.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 10.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -151.08 21.95 0.76 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 10.0 109.257 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.552 ' CA ' ' HB1' ' A' ' 89' ' ' ALA . . . 91.06 -32.11 5.32 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.506 1.129 . . . . 10.0 110.978 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.456 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 57.9 t -44.54 95.09 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.541 0.789 . . . . 10.0 109.344 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.473 ' N ' ' O ' ' A' ' 93' ' ' GLY . . . -98.61 117.89 34.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 10.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.429 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 3.8 p-10 -108.61 146.08 33.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 10.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.461 HG12 ' N ' ' A' ' 98' ' ' SER . 33.3 t -115.17 165.32 10.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 10.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.461 ' N ' HG12 ' A' ' 97' ' ' VAL . 6.4 p 179.66 75.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 10.0 109.996 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.539 HG22 ' N ' ' A' ' 100' ' ' GLU . 8.7 mt -129.21 168.31 22.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 10.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.539 ' N ' HG22 ' A' ' 99' ' ' ILE . 10.7 mp0 -133.06 102.71 5.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 10.0 110.308 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.464 ' O ' ' HA ' ' A' ' 28' ' ' PRO . 11.0 t0 -99.97 111.72 24.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 10.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.475 ' CA ' ' HB3' ' A' ' 28' ' ' PRO . 11.0 p -97.83 61.7 1.58 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 10.0 109.995 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 53.1 t -138.2 -47.41 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 10.0 109.223 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -82.97 -170.96 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 10.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.7 p 179.9 151.25 0.4 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 10.0 109.977 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.77 ' N ' HD23 ' A' ' 106' ' ' LEU . 0.1 OUTLIER -99.9 36.77 1.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 10.0 109.318 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -120.28 176.55 5.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 10.0 110.046 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.58 88.03 0.05 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.466 1.104 . . . . 10.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 165.95 -73.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 0.768 . . . . 10.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 29.4 m80 -108.1 20.35 18.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 10.0 109.568 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 26.2 p -39.02 101.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 10.0 109.983 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.415 ' H ' ' CD1' ' A' ' 112' ' ' ILE . 0.1 OUTLIER -85.32 -8.12 11.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 10.0 109.291 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.4 ' C ' ' O ' ' A' ' 112' ' ' ILE . 40.1 mm -39.81 105.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 10.0 109.337 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 118.13 30.0 1.85 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.509 1.13 . . . . 10.0 110.997 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.442 ' HD2' HG13 ' A' ' 47' ' ' VAL . 2.9 mmt-85 -85.07 119.38 25.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 0.746 . . . . 10.0 110.324 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.456 HG23 ' HA ' ' A' ' 146' ' ' CYS . 1.9 m -80.18 95.02 6.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 10.0 110.343 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.605 HD13 ' HB2' ' A' ' 46' ' ' HIS . 2.9 mm? -75.28 94.79 3.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 10.0 109.263 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 145' ' ' ALA . 12.3 p -113.07 171.14 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 10.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.788 HG21 HD11 ' A' ' 38' ' ' LEU . 18.4 m -130.0 -167.62 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 10.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -134.76 154.52 51.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 10.0 109.58 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -57.51 -39.64 76.95 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.526 1.141 . . . . 10.0 110.269 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.56 ' C ' ' HB1' ' A' ' 140' ' ' ALA . 0.0 OUTLIER -130.34 -168.62 2.0 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 10.0 109.289 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.635 ' HB2' ' C ' ' A' ' 42' ' ' LEU . . . -99.31 157.71 16.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 10.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.55 -10.61 58.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 10.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.0 t70 64.81 24.68 12.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.11 . . . . 10.0 109.301 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 13.4 mt 65.21 11.84 7.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.455 1.097 . . . . 10.0 109.334 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 105.7 124.27 5.32 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.493 1.121 . . . . 10.0 111.05 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.478 ' CE ' ' HB3' ' A' ' 139' ' ' ASN . 0.1 OUTLIER -97.87 -38.31 9.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 0.773 . . . . 10.0 109.256 -179.916 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 100.2 11.43 42.37 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.474 1.109 . . . . 10.0 110.928 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -59.18 -150.19 0.01 OUTLIER Glycine 0 CA--C 1.531 1.049 0 N-CA-C 110.977 -0.849 . . . . 10.0 110.977 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' ASN . . . . . 0.408 ' HA ' HG21 ' A' ' 135' ' ' THR . 6.0 m120 -145.04 139.8 27.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 0.798 . . . . 10.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 50.29 22.13 0.93 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 10.0 110.345 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -140.71 -75.14 0.33 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 10.0 110.357 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.55 -13.36 59.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 10.0 109.971 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 135' ' ' THR . . . . . 0.408 HG21 ' HA ' ' A' ' 131' ' ' ASN . 30.6 p -81.14 -19.93 42.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 10.0 110.385 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.06 -33.08 6.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 10.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 76.9 p -134.0 -97.58 0.27 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 10.0 110.373 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 138' ' ' GLY . . . . . 0.432 ' C ' ' N ' ' A' ' 140' ' ' ALA . . . -178.72 35.3 0.08 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.496 1.123 . . . . 10.0 111.022 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 139' ' ' ASN . . . . . 0.478 ' HB3' ' CE ' ' A' ' 128' ' ' LYS . 0.1 OUTLIER 43.54 27.54 0.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 0.762 . . . . 10.0 109.307 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.56 ' HB1' ' C ' ' A' ' 122' ' ' LYS . . . -83.84 -62.53 1.55 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 10.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 176.32 -96.96 0.11 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.487 1.117 . . . . 10.0 110.971 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 6.6 t -173.4 172.98 3.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 0.775 . . . . 10.0 110.007 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 143' ' ' ARG . . . . . 0.472 ' HB3' HG21 ' A' ' 118' ' ' VAL . 1.6 mpp_? -64.58 159.73 21.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 10.0 110.327 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.466 ' O ' ' HB2' ' A' ' 145' ' ' ALA . 0.7 OUTLIER -170.97 46.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 10.0 109.299 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 145' ' ' ALA . . . . . 0.634 ' HB2' HG11 ' A' ' 14' ' ' VAL . . . 177.55 155.04 0.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 10.0 109.339 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 146' ' ' CYS . . . . . 0.633 ' SG ' HG23 ' A' ' 148' ' ' VAL . 5.4 t -157.61 61.75 0.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 10.0 108.303 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -49.59 -50.68 30.1 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.523 1.139 . . . . 10.0 110.986 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.633 HG23 ' SG ' ' A' ' 146' ' ' CYS . 3.5 t 64.46 129.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.436 0.727 . . . . 10.0 109.314 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 149' ' ' ILE . . . . . 0.549 HD13 ' HB2' ' A' ' 6' ' ' ALA . 19.4 mm -66.98 140.1 19.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 10.0 109.31 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 150' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 151' ' ' ILE . . . -141.14 102.55 0.31 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.48 1.113 . . . . 10.0 110.997 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 151' ' ' ILE . . . . . 0.736 HD12 HG21 ' A' ' 2' ' ' THR . 17.4 mm -38.82 123.84 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 0.774 . . . . 10.0 109.23 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 152' ' ' ALA . . . . . 0.749 ' HB3' ' O ' ' A' ' 3' ' ' LYS . . . -84.89 175.37 9.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 10.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 10.0 110.27 -179.956 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.733 HG21 HD12 ' A' ' 151' ' ' ILE . 2.2 m . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.424 -0.213 . . . . 10.0 110.424 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.971 ' O ' ' HB3' ' A' ' 152' ' ' ALA . 0.1 OUTLIER -86.2 105.03 16.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 10.0 109.3 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.504 ' HB1' HG22 ' A' ' 149' ' ' ILE . . . -89.04 158.27 18.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 10.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.801 HG23 ' HB2' ' A' ' 152' ' ' ALA . 1.8 t -128.7 151.54 35.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 10.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.631 ' HB2' HD13 ' A' ' 149' ' ' ILE . . . -149.29 90.17 1.71 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 10.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.666 HG12 HG23 ' A' ' 17' ' ' ILE . 33.8 m -83.89 108.02 15.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 10.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.683 HD11 ' O ' ' A' ' 117' ' ' LEU . 4.3 mm? -53.87 140.85 29.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 10.0 109.359 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 39.3 pttt -177.12 130.38 0.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 10.0 109.326 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 171.18 -85.2 0.08 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.462 1.101 . . . . 10.0 111.01 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -41.2 -40.93 1.7 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 0.778 . . . . 10.0 109.334 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.402 ' N ' ' CD ' ' A' ' 13' ' ' PRO . . . 126.29 -56.89 0.71 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.508 1.13 . . . . 10.0 111.008 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.402 ' CD ' ' N ' ' A' ' 12' ' ' GLY . 18.3 Cg_endo -74.98 -27.31 10.17 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.441 1.758 . . . . 10.0 110.989 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.444 ' CG1' ' HB2' ' A' ' 145' ' ' ALA . 24.1 t -81.73 109.17 15.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.128 . . . . 10.0 109.349 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -128.65 37.48 4.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.421 1.076 . . . . 10.0 110.315 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.479 ' CA ' ' HB2' ' A' ' 8' ' ' LEU . . . -53.27 167.15 1.36 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.448 1.092 . . . . 10.0 111.004 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.666 HG23 HG12 ' A' ' 7' ' ' VAL . 8.9 mt -145.11 109.72 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.465 0.744 . . . . 10.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.478 HD11 ' CE1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -130.59 142.27 44.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 10.0 109.273 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -122.71 164.57 18.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 10.0 109.302 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.804 ' CD1' HD12 ' A' ' 149' ' ' ILE . 1.7 m-85 -130.3 104.97 7.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 10.0 110.982 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 30' ' ' LYS . 15.9 tt0 -115.67 133.92 55.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 10.0 110.284 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.645 ' OE1' HG22 ' A' ' 29' ' ' VAL . 31.7 tt0 -128.51 59.5 1.53 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 10.0 110.273 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.76 66.31 0.35 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 10.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.518 ' O ' ' CB ' ' A' ' 25' ' ' SER . 0.7 OUTLIER -144.75 -57.0 0.35 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.558 1.161 . . . . 10.0 110.32 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.518 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 2.6 t 86.23 -14.45 0.52 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 10.0 110.013 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 12.1 m-20 -154.09 24.1 0.49 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 10.0 109.292 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -134.0 -171.13 12.5 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.509 1.131 . . . . 10.0 110.989 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.469 ' HA ' ' O ' ' A' ' 101' ' ' ASP . 18.3 Cg_endo -74.98 157.95 42.55 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.547 1.814 . . . . 10.0 110.987 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.645 HG22 ' OE1' ' A' ' 22' ' ' GLN . 47.7 t -87.54 126.85 41.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.102 . . . . 10.0 109.282 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 21' ' ' GLU . 35.0 mttt -78.11 94.77 4.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 10.0 109.306 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.56 HG13 ' CE1' ' A' ' 20' ' ' PHE . 7.9 t -95.84 127.32 48.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.525 1.14 . . . . 10.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.403 ' HA ' ' C ' ' A' ' 97' ' ' VAL . 0.5 OUTLIER -157.31 156.48 32.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 10.0 108.001 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.424 ' O ' ' HA ' ' A' ' 96' ' ' ASP . . . 177.73 -167.69 38.76 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.557 1.161 . . . . 10.0 110.994 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 64.0 p -156.78 121.15 4.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 0.753 . . . . 10.0 109.969 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.689 HG21 HD13 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -84.4 165.37 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 10.0 109.299 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.495 ' CG ' ' O ' ' A' ' 35' ' ' ILE . 18.8 mttt -156.27 114.92 3.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 10.0 109.318 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.44 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 135.91 -48.53 0.92 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.49 1.119 . . . . 10.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.837 HD11 HG21 ' A' ' 119' ' ' VAL . 1.1 mp -53.87 -169.21 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.542 0.789 . . . . 10.0 109.295 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.435 ' O ' ' C ' ' A' ' 40' ' ' GLU . 53.4 p -137.52 145.74 43.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 10.0 110.416 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.757 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -35.83 125.43 0.71 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 10.0 110.292 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 135.04 179.87 16.96 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.551 1.157 . . . . 10.0 110.993 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.57 HD22 HD11 ' A' ' 126' ' ' LEU . 6.9 mp -80.62 155.82 26.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 0.748 . . . . 10.0 109.352 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.703 ' CD2' HD22 ' A' ' 38' ' ' LEU . 90.4 m-70 -150.27 75.8 1.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.098 . . . . 10.0 109.564 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.519 ' HA3' ' CG ' ' A' ' 120' ' ' HIS . . . 35.06 -143.31 0.08 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.51 1.131 . . . . 10.0 111.018 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -152.58 159.56 43.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 0.764 . . . . 10.0 111.003 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.712 ' C ' HG23 ' A' ' 47' ' ' VAL . 2.0 p80 -62.58 174.75 0.92 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 10.0 109.648 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.712 HG23 ' C ' ' A' ' 46' ' ' HIS . 1.9 t 77.06 71.89 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 10.0 109.274 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.515 ' CE1' ' NE2' ' A' ' 120' ' ' HIS . 41.7 m80 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 10.0 109.589 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 111.033 -0.827 . . . . 10.0 111.033 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.37 103.6 3.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 0.752 . . . . 10.0 109.335 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.97 -77.88 0.07 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 10.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.405 ' O ' ' OD1' ' A' ' 86' ' ' ASN . . . -141.25 -113.85 1.05 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.484 1.115 . . . . 10.0 110.954 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.405 ' OD1' ' O ' ' A' ' 85' ' ' GLY . 4.5 m-20 -146.09 166.64 25.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 0.784 . . . . 10.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' A' ' 42' ' ' LEU . 6.2 m -107.63 -176.74 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 10.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.9 m -151.84 142.65 22.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 10.0 110.422 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.757 ' HB3' ' HA ' ' A' ' 40' ' ' GLU . . . -85.3 162.49 19.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 10.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.439 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 12.2 t0 -71.17 -96.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 10.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.439 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -136.16 8.85 3.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 10.0 109.276 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -157.47 26.31 0.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 10.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.66 ' CA ' ' HB1' ' A' ' 89' ' ' ALA . . . 97.89 -43.85 1.89 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.546 1.154 . . . . 10.0 110.986 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.481 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 20.5 t -38.37 102.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.468 0.746 . . . . 10.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.516 ' HB3' ' HB ' ' A' ' 35' ' ' ILE . . . -103.79 117.1 33.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 10.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.424 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 4.8 p-10 -98.07 150.45 21.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 10.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.403 ' C ' ' HA ' ' A' ' 32' ' ' TRP . 80.2 t -120.52 155.67 23.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 10.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.6 t -179.74 78.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 10.0 110.008 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.519 HG22 ' H ' ' A' ' 100' ' ' GLU . 9.6 mt -136.01 170.59 18.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.418 1.074 . . . . 10.0 109.35 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.519 ' H ' HG22 ' A' ' 99' ' ' ILE . 0.1 OUTLIER -127.15 104.89 8.21 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 10.0 110.278 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.469 ' O ' ' HA ' ' A' ' 28' ' ' PRO . 5.2 m-20 -84.95 111.0 19.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 10.0 109.275 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 83.6 p -91.46 9.88 30.03 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.532 1.145 . . . . 10.0 110.012 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.458 HG12 ' N ' ' A' ' 104' ' ' ILE . 25.4 t -104.41 -80.88 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.093 . . . . 10.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.458 ' N ' HG12 ' A' ' 103' ' ' VAL . 2.8 pp -53.99 164.31 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 10.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' SER . . . . . 0.656 ' O ' HG23 ' A' ' 112' ' ' ILE . 0.3 OUTLIER -170.49 172.34 6.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 10.0 110.044 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.581 HD22 ' HB ' ' A' ' 2' ' ' THR . 3.5 mp -97.8 40.73 1.15 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 10.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 25.2 m -111.22 169.67 8.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 10.0 110.015 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -78.05 52.98 3.73 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.511 1.132 . . . . 10.0 110.983 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -153.12 -51.91 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 0.765 . . . . 10.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' HIS . . . . . 0.404 ' O ' ' O ' ' A' ' 111' ' ' SER . 25.4 m80 -95.6 -52.43 4.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 10.0 109.574 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.404 ' O ' ' O ' ' A' ' 110' ' ' HIS . 1.0 OUTLIER 54.74 106.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 10.0 110.021 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.786 HD12 ' CD2' ' A' ' 20' ' ' PHE . 0.6 OUTLIER -86.16 -34.64 8.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.163 . . . . 10.0 109.3 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 22.6 mm -41.17 130.9 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 10.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 93.96 -0.2 66.72 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.512 1.133 . . . . 10.0 110.976 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 2.6 mmm180 -92.11 59.26 3.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 0.745 . . . . 10.0 110.353 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.649 HG23 HG13 ' A' ' 118' ' ' VAL . 5.8 t -46.0 152.13 0.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 10.0 110.379 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.683 ' O ' HD11 ' A' ' 8' ' ' LEU . 0.7 OUTLIER -104.6 61.59 0.71 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 10.0 109.339 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.649 HG13 HG23 ' A' ' 116' ' ' THR . 22.0 m -71.32 171.7 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 10.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.837 HG21 HD11 ' A' ' 38' ' ' LEU . 5.5 m -141.43 158.51 22.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 10.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' HIS . . . . . 0.519 ' CG ' ' HA3' ' A' ' 44' ' ' GLY . 7.6 m170 -84.97 169.8 13.67 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.465 1.103 . . . . 10.0 109.606 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.462 ' HA ' HD11 ' A' ' 144' ' ' LEU . 0.2 OUTLIER -81.65 -22.6 37.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 10.0 110.299 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.507 ' HB3' ' HB1' ' A' ' 140' ' ' ALA . 3.3 tmtt? -155.48 163.47 39.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 10.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -49.96 169.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 10.0 109.283 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.486 ' CB ' ' HA3' ' A' ' 138' ' ' GLY . 4.7 p-10 169.7 82.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 10.0 109.239 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 126' ' ' LEU . 0.2 OUTLIER 179.1 -41.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 10.0 109.321 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.57 HD11 HD22 ' A' ' 42' ' ' LEU . 0.3 OUTLIER -38.76 -54.75 1.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 10.0 109.302 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 117.76 74.1 0.48 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.516 1.135 . . . . 10.0 111.042 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 1.4 pttm -55.17 -23.57 22.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 0.779 . . . . 10.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 161.26 -28.67 0.3 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.51 1.131 . . . . 10.0 110.992 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 102.03 111.6 3.5 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.976 -0.85 . . . . 10.0 110.976 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' ASN . . . . . 0.545 ' O ' ' N ' ' A' ' 135' ' ' THR . 0.7 OUTLIER -145.88 151.26 37.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 0.754 . . . . 10.0 109.357 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -38.64 -29.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 10.0 110.347 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 131' ' ' ASN . 0.0 OUTLIER -90.01 -52.0 5.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 10.0 110.308 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 134' ' ' SER . . . . . 0.425 ' HA ' ' N ' ' A' ' 138' ' ' GLY . 2.3 t -64.13 -51.15 65.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 10.0 109.963 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 135' ' ' THR . . . . . 0.545 ' N ' ' O ' ' A' ' 131' ' ' ASN . 0.6 OUTLIER -45.16 -24.86 0.29 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 10.0 110.443 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.403 ' N ' ' C ' ' A' ' 134' ' ' SER . 0.6 OUTLIER -103.16 -30.26 10.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 10.0 109.306 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 137' ' ' THR . . . . . 0.415 ' N ' ' O ' ' A' ' 134' ' ' SER . 75.9 p -137.41 -100.47 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 10.0 110.34 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 138' ' ' GLY . . . . . 0.486 ' HA3' ' CB ' ' A' ' 124' ' ' ASP . . . 173.17 39.64 0.04 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.511 1.132 . . . . 10.0 111.011 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 34.0 t-20 57.88 18.55 5.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 0.793 . . . . 10.0 109.274 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.507 ' HB1' ' HB3' ' A' ' 122' ' ' LYS . . . -155.14 68.83 0.7 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.429 1.08 . . . . 10.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -108.79 94.14 0.83 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.481 1.113 . . . . 10.0 111.023 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -151.5 78.39 1.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 0.785 . . . . 10.0 110.015 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 143' ' ' ARG . . . . . 0.62 ' O ' HD23 ' A' ' 144' ' ' LEU . 0.0 OUTLIER -44.99 157.76 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 10.0 110.33 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.62 HD23 ' O ' ' A' ' 143' ' ' ARG . 17.4 mt -144.75 154.0 42.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 10.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 145' ' ' ALA . . . . . 0.517 ' O ' HG12 ' A' ' 118' ' ' VAL . . . 54.88 168.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 10.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 146' ' ' CYS . . . . . 0.503 ' HA ' HG12 ' A' ' 118' ' ' VAL . 32.0 p -155.48 71.21 0.76 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.49 1.119 . . . . 10.0 108.254 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 147' ' ' GLY . . . . . 0.433 ' H ' HD13 ' A' ' 8' ' ' LEU . . . -51.59 -54.41 24.7 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.471 1.107 . . . . 10.0 110.986 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.531 HG22 ' HB ' ' A' ' 116' ' ' THR . 45.0 t 66.08 129.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.574 0.808 . . . . 10.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 149' ' ' ILE . . . . . 0.804 HD12 ' CD1' ' A' ' 20' ' ' PHE . 8.4 mm -78.73 120.44 29.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.119 . . . . 10.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -123.92 126.1 6.06 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.496 1.123 . . . . 10.0 110.995 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 151' ' ' ILE . . . . . 0.733 HD12 HG21 ' A' ' 2' ' ' THR . 19.2 mm -47.62 141.11 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.531 0.783 . . . . 10.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 152' ' ' ALA . . . . . 0.971 ' HB3' ' O ' ' A' ' 3' ' ' LYS . . . -138.31 170.81 15.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.159 . . . . 10.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 10.0 110.33 -179.997 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.428 ' CG2' HD22 ' A' ' 106' ' ' LEU . 8.5 m . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.371 -0.233 . . . . 10.0 110.371 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.405 ' HA ' ' O ' ' A' ' 20' ' ' PHE . 5.9 ttmt -103.8 110.78 23.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 10.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.638 ' HB1' HG22 ' A' ' 149' ' ' ILE . . . -114.78 170.3 8.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 10.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.633 HG22 ' HB2' ' A' ' 152' ' ' ALA . 0.0 OUTLIER -149.86 164.18 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 10.0 109.292 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.637 ' HB1' ' C ' ' A' ' 147' ' ' GLY . . . -150.89 106.29 3.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 10.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 73.2 t -84.36 91.04 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.122 . . . . 10.0 109.271 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.511 HD21 ' CG2' ' A' ' 18' ' ' ILE . 0.2 OUTLIER -42.11 138.37 1.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 10.0 109.242 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.8 tttt -178.17 127.41 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.113 . . . . 10.0 109.296 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 175.07 -92.56 0.09 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.473 1.108 . . . . 10.0 111.013 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -41.29 -56.73 2.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 0.734 . . . . 10.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.429 ' N ' ' CD ' ' A' ' 13' ' ' PRO . . . 151.69 -54.84 0.46 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.511 1.132 . . . . 10.0 111.034 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.461 ' O ' ' N ' ' A' ' 15' ' ' GLN . 18.3 Cg_endo -75.0 -56.1 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.479 1.779 . . . . 10.0 111.016 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 57.9 t -56.04 87.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 10.0 109.352 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' A' ' 13' ' ' PRO . 0.0 OUTLIER -132.09 52.51 2.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 10.0 110.325 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.424 ' N ' ' HB2' ' A' ' 8' ' ' LEU . . . -82.92 -168.45 42.9 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.52 1.137 . . . . 10.0 111.03 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.419 HG13 ' C ' ' A' ' 16' ' ' GLY . 71.4 mt -141.86 117.57 6.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 0.772 . . . . 10.0 109.255 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.979 HD12 ' N ' ' A' ' 19' ' ' ASN . 0.1 OUTLIER -113.0 129.56 68.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 10.0 109.31 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.979 ' N ' HD12 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -111.99 141.85 45.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 10.0 109.272 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.787 ' CZ ' HG11 ' A' ' 31' ' ' VAL . 1.9 m-85 -118.45 109.69 16.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.084 . . . . 10.0 110.985 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.479 ' HB2' ' CH2' ' A' ' 32' ' ' TRP . 1.7 tt0 -113.29 143.1 45.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 10.0 110.283 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.629 ' HG3' HG22 ' A' ' 29' ' ' VAL . 7.2 tt0 -155.65 77.78 0.98 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 10.0 110.311 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.0 mtpt -72.82 59.28 0.48 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 10.0 109.303 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.484 ' O ' ' CB ' ' A' ' 25' ' ' SER . 0.0 OUTLIER -155.62 -50.1 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 10.0 110.297 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.484 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 0.6 OUTLIER 84.35 -9.73 0.91 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.157 . . . . 10.0 110.037 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -161.09 28.05 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 10.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -131.94 -146.28 5.69 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.527 1.142 . . . . 10.0 110.993 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 136.01 19.81 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.519 1.799 . . . . 10.0 110.993 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.629 HG22 ' HG3' ' A' ' 22' ' ' GLN . 94.3 t -102.33 113.62 39.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 10.0 109.247 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 21' ' ' GLU . 15.2 mttt -79.52 95.11 5.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 10.0 109.258 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.787 HG11 ' CZ ' ' A' ' 20' ' ' PHE . 0.9 OUTLIER -101.39 132.58 46.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.565 1.166 . . . . 10.0 109.313 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.502 ' NE1' ' ND2' ' A' ' 19' ' ' ASN . 23.8 p90 -156.53 148.0 22.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 10.0 107.957 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.407 ' O ' ' HA ' ' A' ' 96' ' ' ASP . . . -166.61 -168.92 29.52 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.523 1.139 . . . . 10.0 110.978 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 65.7 p -155.89 120.19 4.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 0.739 . . . . 10.0 109.974 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.471 ' HB ' ' HB3' ' A' ' 95' ' ' ALA . 1.3 mp -87.78 159.86 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.143 . . . . 10.0 109.278 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.42 ' O ' ' O ' ' A' ' 13' ' ' PRO . 14.9 mttt -143.07 109.51 5.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 10.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.44 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 130.47 -26.12 4.16 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.484 1.115 . . . . 10.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.557 HD22 ' CD2' ' A' ' 43' ' ' HIS . 3.1 mt -55.21 -164.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 0.765 . . . . 10.0 109.279 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 41' ' ' GLY . 2.3 p -149.32 142.99 25.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 10.0 110.373 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.555 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 28.0 tt0 -43.44 95.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 10.0 110.31 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 39' ' ' THR . . . 165.48 177.93 38.18 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.44 1.088 . . . . 10.0 110.985 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.828 ' O ' ' HB2' ' A' ' 123' ' ' ALA . 2.1 mp -89.27 146.77 24.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 0.784 . . . . 10.0 109.345 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.557 ' CD2' HD22 ' A' ' 38' ' ' LEU . 2.7 m-70 -155.37 130.94 9.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 10.0 109.619 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.425 ' N ' ' HB2' ' A' ' 120' ' ' HIS . . . -42.36 154.96 0.13 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.474 1.109 . . . . 10.0 111.036 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.604 ' HB3' ' CD2' ' A' ' 46' ' ' HIS . 0.0 OUTLIER -164.36 144.23 7.72 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 0.769 . . . . 10.0 111.03 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.737 ' CE1' HD13 ' A' ' 117' ' ' LEU . 0.2 OUTLIER 56.94 159.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 10.0 109.637 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.571 HG23 ' C ' ' A' ' 46' ' ' HIS . 0.0 OUTLIER 49.91 176.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.54 1.15 . . . . 10.0 109.292 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.557 ' CG ' ' O ' ' A' ' 47' ' ' VAL . 4.6 m170 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 10.0 109.558 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 N-CA-C 111.029 -0.828 . . . . 10.0 111.029 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -62.81 140.68 58.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 0.768 . . . . 10.0 109.252 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.405 ' HG ' ' N ' ' A' ' 85' ' ' GLY . 38.2 tp -177.98 -92.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 10.0 109.331 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.405 ' N ' ' HG ' ' A' ' 84' ' ' LEU . . . 176.51 -154.95 17.71 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.518 1.137 . . . . 10.0 111.0 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -143.18 171.78 13.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 0.772 . . . . 10.0 109.294 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.431 ' C ' ' HG1' ' A' ' 88' ' ' THR . 3.0 m -118.2 -166.22 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 10.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.431 ' HG1' ' C ' ' A' ' 87' ' ' VAL . 42.1 m -155.23 145.01 21.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 10.0 110.416 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.555 ' HB3' ' HA ' ' A' ' 40' ' ' GLU . . . -85.08 164.94 17.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.56 1.162 . . . . 10.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.437 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 16.0 t0 -74.57 -98.64 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.456 1.098 . . . . 10.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.437 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 0.5 OUTLIER -137.49 10.04 2.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 10.0 109.296 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -148.6 19.91 1.04 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 10.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.546 ' CA ' ' HB1' ' A' ' 89' ' ' ALA . . . 95.29 -35.52 4.24 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.512 1.133 . . . . 10.0 111.04 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.464 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 25.6 t -41.39 103.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.52 0.776 . . . . 10.0 109.331 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.471 ' HB3' ' HB ' ' A' ' 35' ' ' ILE . . . -103.45 113.45 26.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 10.0 109.305 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.407 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 3.6 p-10 -110.02 148.42 31.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 10.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.419 ' CG1' HD12 ' A' ' 99' ' ' ILE . 36.3 t -117.29 161.26 16.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.09 . . . . 10.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.402 ' H ' HD12 ' A' ' 99' ' ' ILE . 0.3 OUTLIER -177.24 75.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 10.0 109.973 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.478 HG22 ' N ' ' A' ' 100' ' ' GLU . 3.6 mp -130.38 164.3 33.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 10.0 109.34 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.478 ' N ' HG22 ' A' ' 99' ' ' ILE . 1.4 mt-10 -122.48 94.58 4.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 10.0 110.306 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -85.84 122.74 30.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 10.0 109.259 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 71.2 p -103.33 -41.02 6.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.102 . . . . 10.0 110.003 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 65.0 t -42.97 -75.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 10.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.702 ' C ' HD12 ' A' ' 104' ' ' ILE . 1.8 pp -52.21 -179.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.107 . . . . 10.0 109.327 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -171.04 157.67 5.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 10.0 110.018 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.91 HD23 HG12 ' A' ' 113' ' ' ILE . 1.8 mp -99.07 46.07 0.99 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 10.0 109.36 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 109' ' ' ASP . 0.6 OUTLIER -143.19 179.08 7.28 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 10.0 109.935 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.03 80.6 0.02 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.44 1.088 . . . . 10.0 111.044 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 107' ' ' SER . 2.9 m-20 -179.07 -67.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 0.745 . . . . 10.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' HIS . . . . . 0.411 ' CB ' ' HA ' ' A' ' 104' ' ' ILE . 11.8 m80 -127.29 37.2 4.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 10.0 109.619 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 87.3 p -39.22 106.51 0.05 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 10.0 110.022 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.481 HG23 ' HB ' ' A' ' 104' ' ' ILE . 6.3 pt -84.95 -35.38 9.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 10.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.91 HG12 HD23 ' A' ' 106' ' ' LEU . 3.0 mm -41.73 112.32 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 10.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 122.43 4.84 8.86 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.494 1.121 . . . . 10.0 111.005 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.512 ' O ' ' CD2' ' A' ' 117' ' ' LEU . 4.2 mmm-85 -86.24 72.28 10.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 0.787 . . . . 10.0 110.295 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.636 HG23 HG13 ' A' ' 118' ' ' VAL . 14.5 t -38.06 148.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 10.0 110.392 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.737 HD13 ' CE1' ' A' ' 46' ' ' HIS . 0.1 OUTLIER -103.52 75.8 1.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 10.0 109.295 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 1.056 HG12 ' O ' ' A' ' 145' ' ' ALA . 33.8 m -93.88 125.75 46.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 10.0 109.303 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.579 HG22 ' CZ ' ' A' ' 45' ' ' PHE . 4.3 t -89.6 168.36 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 10.0 109.313 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' HIS . . . . . 0.435 ' H ' HG12 ' A' ' 119' ' ' VAL . 1.0 OUTLIER -113.25 142.92 45.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 10.0 109.556 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.413 ' CB ' ' HA3' ' A' ' 141' ' ' GLY . 1.6 tt0 -50.84 -29.01 10.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 10.0 110.316 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -156.84 -176.62 6.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.138 . . . . 10.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.828 ' HB2' ' O ' ' A' ' 42' ' ' LEU . . . -81.72 173.13 12.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 10.0 109.292 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -117.3 94.47 4.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 10.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -52.23 -22.59 4.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 10.0 109.306 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 9.5 mt 60.5 14.78 5.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 10.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -93.05 -127.45 4.48 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.475 1.109 . . . . 10.0 110.995 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -142.95 43.13 1.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 0.746 . . . . 10.0 109.265 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -80.13 49.89 3.85 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.499 1.124 . . . . 10.0 110.986 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 152.69 -156.13 26.53 Favored Glycine 0 CA--C 1.531 1.04 0 N-CA-C 110.977 -0.849 . . . . 10.0 110.977 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -151.36 126.22 9.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 0.779 . . . . 10.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 69.75 6.74 5.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 10.0 110.265 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -130.27 -67.37 0.74 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.159 . . . . 10.0 110.291 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 58.4 m -73.94 -20.15 60.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 10.0 110.011 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 82.8 p -70.82 -20.52 62.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 10.0 110.419 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.87 ' HG3' HG23 ' A' ' 137' ' ' THR . 2.2 pttt -106.92 -34.05 7.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 10.0 109.265 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 137' ' ' THR . . . . . 0.87 HG23 ' HG3' ' A' ' 136' ' ' LYS . 31.7 p -122.97 -89.31 0.6 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 10.0 110.432 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 156.5 46.27 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.429 1.081 . . . . 10.0 110.983 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 64.24 14.28 8.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 0.768 . . . . 10.0 109.286 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -47.1 -68.99 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 10.0 109.343 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 141' ' ' GLY . . . . . 0.413 ' HA3' ' CB ' ' A' ' 121' ' ' GLU . . . 148.28 -96.27 0.17 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.507 1.129 . . . . 10.0 111.006 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 142' ' ' SER . . . . . 0.577 ' O ' HD23 ' A' ' 144' ' ' LEU . 1.1 t -163.6 161.83 24.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 0.768 . . . . 10.0 109.998 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.81 123.2 25.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 10.0 110.308 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.693 ' O ' ' HB3' ' A' ' 145' ' ' ALA . 0.4 OUTLIER -123.6 148.39 46.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.45 1.094 . . . . 10.0 109.283 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 145' ' ' ALA . . . . . 1.056 ' O ' HG12 ' A' ' 118' ' ' VAL . . . 83.77 168.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 10.0 109.349 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 146' ' ' CYS . . . . . 0.409 ' HA ' ' OG1' ' A' ' 116' ' ' THR . 26.1 p -155.86 71.34 0.74 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 10.0 108.344 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 147' ' ' GLY . . . . . 0.637 ' C ' ' HB1' ' A' ' 6' ' ' ALA . . . -83.62 64.61 4.27 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.515 1.134 . . . . 10.0 111.036 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 41.6 t -62.46 121.31 10.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.517 0.775 . . . . 10.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 149' ' ' ILE . . . . . 0.697 ' H ' HD12 ' A' ' 149' ' ' ILE . 3.8 mp -68.91 114.68 6.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 10.0 109.292 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -122.69 138.55 11.91 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.537 1.148 . . . . 10.0 110.993 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 25.3 mm -46.99 137.29 2.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.522 0.778 . . . . 10.0 109.283 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 152' ' ' ALA . . . . . 0.633 ' HB2' HG22 ' A' ' 5' ' ' VAL . . . -96.1 168.79 10.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 10.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 10.0 110.294 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.549 HG23 ' CD1' ' A' ' 151' ' ' ILE . 2.2 m . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.391 -0.226 . . . . 10.0 110.391 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.7 ttmt -156.05 89.98 1.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 10.0 109.325 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.852 ' HB3' ' HB2' ' A' ' 20' ' ' PHE . . . -84.48 161.76 20.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 10.0 109.274 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.6 t -146.29 158.87 11.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 10.0 109.242 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.809 ' HB1' ' O ' ' A' ' 147' ' ' GLY . . . -155.12 92.67 1.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 10.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.471 ' O ' HG23 ' A' ' 7' ' ' VAL . 27.3 m -82.88 107.58 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 10.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.548 HD22 ' HA3' ' A' ' 147' ' ' GLY . 1.6 mm? -53.11 159.92 1.14 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 10.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.494 ' CB ' ' O ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER 163.93 106.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 10.0 109.274 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -156.38 -89.58 0.07 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.469 1.106 . . . . 10.0 110.976 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.907 ' HB2' HD12 ' A' ' 144' ' ' LEU . 31.7 t0 -43.23 -65.5 0.48 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 0.78 . . . . 10.0 109.257 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 170.17 -62.79 0.17 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.484 1.115 . . . . 10.0 111.03 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.456 ' O ' ' N ' ' A' ' 15' ' ' GLN . 18.1 Cg_endo -75.03 -40.64 0.83 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.478 1.778 . . . . 10.0 110.981 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.638 HG12 ' O ' ' A' ' 14' ' ' VAL . 2.2 t -53.62 90.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 10.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 13' ' ' PRO . 0.0 OUTLIER -119.82 45.29 2.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 10.0 110.278 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.492 ' N ' ' HB2' ' A' ' 8' ' ' LEU . . . -56.6 164.34 5.6 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.515 1.134 . . . . 10.0 111.02 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 55.0 mt -141.37 101.35 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.488 0.758 . . . . 10.0 109.313 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.991 HD12 ' N ' ' A' ' 19' ' ' ASN . 0.1 OUTLIER -110.62 130.79 63.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 10.0 109.331 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.991 ' N ' HD12 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -122.17 146.77 46.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 10.0 109.329 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.852 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 2.8 m-85 -113.62 134.09 54.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 10.0 110.987 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.407 ' O ' ' HA ' ' A' ' 29' ' ' VAL . 12.6 mm-40 -124.91 128.97 49.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 10.0 110.261 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.528 ' OE1' HG21 ' A' ' 2' ' ' THR . 1.3 tt0 -155.13 60.0 0.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 10.0 110.325 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -76.94 65.71 2.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 10.0 109.307 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.512 ' O ' ' CB ' ' A' ' 25' ' ' SER . 0.0 OUTLIER -152.59 -45.28 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 10.0 110.313 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.512 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 1.6 t 85.77 -14.18 0.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 10.0 110.019 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 17.4 p30 -154.79 24.18 0.45 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 10.0 109.32 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -118.74 -159.24 11.03 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.498 1.124 . . . . 10.0 111.006 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.434 ' HA ' ' O ' ' A' ' 101' ' ' ASP . 18.2 Cg_endo -75.02 166.37 29.33 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.481 1.779 . . . . 10.0 111.003 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.462 ' O ' HG23 ' A' ' 31' ' ' VAL . 13.2 t -123.47 89.51 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 10.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.5 mttt -60.53 93.32 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 10.0 109.253 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 29' ' ' VAL . 55.2 t -96.6 128.93 47.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 10.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 3.2 p90 -157.18 144.02 18.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 10.0 107.999 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -158.79 -171.63 24.86 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.501 1.126 . . . . 10.0 111.027 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.4 p -156.94 122.29 4.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 0.748 . . . . 10.0 109.979 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.691 ' HB ' ' HB3' ' A' ' 95' ' ' ALA . 1.1 mp -85.11 160.38 3.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 10.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.449 ' HG2' ' O ' ' A' ' 35' ' ' ILE . 22.1 mttt -147.37 92.87 2.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 10.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.44 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 153.4 -36.54 0.75 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.473 1.108 . . . . 10.0 110.991 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.561 ' CD2' HG22 ' A' ' 14' ' ' VAL . 0.4 OUTLIER -53.63 -168.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 0.739 . . . . 10.0 109.31 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 40' ' ' GLU . 4.8 p -144.34 131.51 20.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 10.0 110.403 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.739 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 5.3 pt-20 -37.45 110.12 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 10.0 110.341 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 153.05 161.14 10.11 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.489 1.118 . . . . 10.0 111.007 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.76 164.04 0.62 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 0.763 . . . . 10.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.401 ' N ' ' O ' ' A' ' 87' ' ' VAL . 95.6 m-70 -149.37 155.77 41.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 10.0 109.573 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.481 ' CA ' ' HB2' ' A' ' 120' ' ' HIS . . . -59.31 -152.63 0.01 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.469 1.105 . . . . 10.0 110.962 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.597 ' CE2' ' OD1' ' A' ' 86' ' ' ASN . 4.5 m-85 -107.74 161.14 15.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 0.775 . . . . 10.0 111.0 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.736 ' C ' HG23 ' A' ' 47' ' ' VAL . 0.2 OUTLIER -106.2 176.36 5.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 10.0 109.558 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.736 HG23 ' C ' ' A' ' 46' ' ' HIS . 2.6 t 84.35 126.37 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 10.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.981 ' CD2' HG21 ' A' ' 118' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 10.0 109.573 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 110.999 -0.84 . . . . 10.0 110.999 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -50.05 160.9 0.3 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 0.775 . . . . 10.0 109.306 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.514 HD13 ' N ' ' A' ' 85' ' ' GLY . 3.3 tm? -142.85 -82.96 0.18 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.514 1.134 . . . . 10.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.514 ' N ' HD13 ' A' ' 84' ' ' LEU . . . -163.21 171.79 39.03 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.507 1.129 . . . . 10.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.597 ' OD1' ' CE2' ' A' ' 45' ' ' PHE . 48.8 m-20 -92.64 129.83 38.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 0.753 . . . . 10.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.741 HG21 HG12 ' A' ' 119' ' ' VAL . 14.0 m -98.24 169.41 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 10.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 3.8 m -139.1 148.05 42.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 10.0 110.376 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.739 ' HB3' ' HA ' ' A' ' 40' ' ' GLU . . . -84.63 170.68 13.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 10.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.455 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 13.3 t0 -74.11 -97.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 10.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.455 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 37.3 pttt -136.83 8.12 3.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 10.0 109.322 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -156.06 24.4 0.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 10.0 109.337 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.591 ' CA ' ' HB1' ' A' ' 89' ' ' ALA . . . 98.89 -43.88 1.79 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.494 1.121 . . . . 10.0 110.994 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.461 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 32.1 t -39.41 103.24 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.485 0.756 . . . . 10.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.691 ' HB3' ' HB ' ' A' ' 35' ' ' ILE . . . -98.55 112.63 24.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 10.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -96.21 148.33 22.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 10.0 109.339 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 21.6 t -120.1 149.99 22.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 10.0 109.262 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 42.2 p -168.34 95.59 0.39 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.457 1.098 . . . . 10.0 109.972 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -139.33 119.49 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 10.0 109.359 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -112.51 81.97 1.57 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 10.0 110.325 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.434 ' O ' ' HA ' ' A' ' 28' ' ' PRO . 1.0 OUTLIER -91.32 152.74 20.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.412 1.07 . . . . 10.0 109.262 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 24.6 p -131.9 65.1 1.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 10.0 110.012 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 80.5 t -150.89 -46.71 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.096 . . . . 10.0 109.327 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.654 HG13 HG21 ' A' ' 112' ' ' ILE . 0.2 OUTLIER -68.28 177.51 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 10.0 109.313 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.7 m -167.41 119.6 0.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 10.0 109.99 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.667 ' HG ' HD11 ' A' ' 112' ' ' ILE . 3.2 mp -49.79 -37.27 29.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 10.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.3 m -125.55 140.65 52.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 10.0 109.994 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 132.54 -89.71 0.27 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.499 1.124 . . . . 10.0 110.95 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -138.47 -47.33 0.51 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 0.78 . . . . 10.0 109.275 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 3.2 m80 -85.4 55.84 3.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 10.0 109.608 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 96.2 p -60.5 111.48 1.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 10.0 109.984 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.667 HD11 ' HG ' ' A' ' 106' ' ' LEU . 8.6 pt -84.74 -21.88 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 10.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 3.7 mt -58.68 141.39 15.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.54 1.15 . . . . 10.0 109.25 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 112.26 -7.39 26.83 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.511 1.132 . . . . 10.0 111.03 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.905 ' O ' HD12 ' A' ' 149' ' ' ILE . 11.5 mmt180 -87.02 164.98 16.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 0.776 . . . . 10.0 110.275 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.86 HG23 HG23 ' A' ' 118' ' ' VAL . 2.2 t -153.94 126.62 8.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 10.0 110.418 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.865 HD12 HG13 ' A' ' 119' ' ' VAL . 0.1 OUTLIER -72.7 74.12 1.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 10.0 109.278 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.981 HG21 ' CD2' ' A' ' 48' ' ' HIS . 19.6 t -84.13 70.84 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 10.0 109.304 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.865 HG13 HD12 ' A' ' 117' ' ' LEU . 1.2 m -50.05 133.98 9.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 10.0 109.344 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' HIS . . . . . 0.527 ' CE1' ' CA ' ' A' ' 141' ' ' GLY . 4.0 m170 -84.48 134.96 34.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 10.0 109.581 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -46.4 -64.75 0.68 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 10.0 110.33 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 3.7 mttt -100.98 -178.27 3.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 10.0 109.339 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -89.76 -178.26 5.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 10.0 109.295 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.433 ' OD2' ' CE1' ' A' ' 45' ' ' PHE . 1.4 m-20 -133.86 95.85 3.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 10.0 109.267 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.26 -21.27 5.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 10.0 109.337 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.567 HD11 ' HZ ' ' A' ' 45' ' ' PHE . 7.6 mt 61.36 19.3 10.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 10.0 109.338 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 178.61 91.97 0.08 OUTLIER Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.505 1.128 . . . . 10.0 111.006 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -121.3 -42.79 2.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 0.743 . . . . 10.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -178.68 36.63 0.08 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.448 1.093 . . . . 10.0 111.004 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 41.7 92.21 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.033 -0.827 . . . . 10.0 111.033 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' ASN . . . . . 0.615 ' C ' HG23 ' A' ' 135' ' ' THR . 2.4 t30 -141.51 148.43 39.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 0.753 . . . . 10.0 109.275 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 131' ' ' ASN . 0.9 OUTLIER -37.81 -29.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 10.0 110.259 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 133' ' ' GLN . . . . . 0.478 ' N ' ' O ' ' A' ' 131' ' ' ASN . 0.0 OUTLIER -91.71 -43.47 9.56 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.554 1.159 . . . . 10.0 110.313 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 134' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 131' ' ' ASN . 0.0 OUTLIER -70.7 -50.73 33.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 10.0 110.039 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 135' ' ' THR . . . . . 0.615 HG23 ' C ' ' A' ' 131' ' ' ASN . 41.0 p -35.6 -36.27 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 10.0 110.423 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 134' ' ' SER . 32.3 pttt -101.9 -41.43 6.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 10.0 109.29 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 137' ' ' THR . . . . . 0.428 ' C ' ' HA ' ' A' ' 134' ' ' SER . 61.9 p -133.68 -106.61 0.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 10.0 110.409 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 138' ' ' GLY . . . . . 0.434 ' CA ' ' HA ' ' A' ' 134' ' ' SER . . . -144.82 -66.41 0.02 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.513 1.133 . . . . 10.0 110.977 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 10.1 p-10 169.84 42.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 0.792 . . . . 10.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 142' ' ' SER . . . -146.12 -52.47 0.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 10.0 109.29 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 141' ' ' GLY . . . . . 0.527 ' CA ' ' CE1' ' A' ' 120' ' ' HIS . . . -40.57 94.75 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.512 1.133 . . . . 10.0 110.976 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 142' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 140' ' ' ALA . 0.4 OUTLIER -127.68 11.79 6.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 0.729 . . . . 10.0 109.999 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 143' ' ' ARG . . . . . 0.711 ' O ' HD22 ' A' ' 144' ' ' LEU . 2.1 mpt_? 62.02 138.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 10.0 110.331 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.907 HD12 ' HB2' ' A' ' 11' ' ' ASP . 1.8 mm? -127.97 -96.79 0.4 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 10.0 109.345 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 145' ' ' ALA . . . . . 0.907 ' O ' HG13 ' A' ' 118' ' ' VAL . . . -64.99 175.1 1.65 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.103 . . . . 10.0 109.323 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 146' ' ' CYS . . . . . 0.552 ' HA ' HG22 ' A' ' 118' ' ' VAL . 0.8 OUTLIER -154.32 69.74 0.78 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 10.0 108.273 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 147' ' ' GLY . . . . . 0.809 ' O ' ' HB1' ' A' ' 6' ' ' ALA . . . -79.3 68.3 3.16 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.496 1.123 . . . . 10.0 111.009 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.473 ' CG2' ' HB ' ' A' ' 116' ' ' THR . 2.3 t -59.1 127.11 17.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.491 0.759 . . . . 10.0 109.348 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 149' ' ' ILE . . . . . 0.905 HD12 ' O ' ' A' ' 115' ' ' ARG . 1.0 OUTLIER -81.22 123.64 37.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 10.0 109.291 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -140.75 139.37 9.61 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.515 1.135 . . . . 10.0 111.02 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 151' ' ' ILE . . . . . 0.549 ' CD1' HG23 ' A' ' 2' ' ' THR . 13.8 mm -46.46 145.05 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.543 0.79 . . . . 10.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -136.42 172.14 13.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 10.0 109.294 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 10.0 110.267 -179.968 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.884 HG22 HD12 ' A' ' 151' ' ' ILE . 1.4 m . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.405 -0.22 . . . . 10.0 110.405 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -99.92 128.65 45.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 10.0 109.344 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.83 ' HB3' ' HB2' ' A' ' 20' ' ' PHE . . . -107.88 162.08 14.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 10.0 109.337 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.785 HG22 ' HB2' ' A' ' 152' ' ' ALA . 0.0 OUTLIER -140.12 141.91 32.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 10.0 109.306 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.82 ' HB3' HG23 ' A' ' 18' ' ' ILE . . . -137.07 106.63 6.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 10.0 109.266 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.488 ' O ' HG23 ' A' ' 7' ' ' VAL . 19.5 m -82.48 90.35 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 10.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.783 HD22 ' HA3' ' A' ' 147' ' ' GLY . 1.5 mm? -37.79 135.43 0.63 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.578 1.174 . . . . 10.0 109.345 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.27 -54.57 6.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 10.0 109.268 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.407 ' HA3' ' O ' ' A' ' 14' ' ' VAL . . . 76.9 120.29 0.18 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.44 1.088 . . . . 10.0 111.029 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -57.8 -20.9 38.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 0.763 . . . . 10.0 109.259 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -176.43 -67.34 0.06 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.49 1.118 . . . . 10.0 111.035 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.435 ' HB2' ' CA ' ' A' ' 37' ' ' GLY . 18.4 Cg_endo -74.97 -60.97 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.487 1.782 . . . . 10.0 111.038 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.71 HG11 ' HB2' ' A' ' 145' ' ' ALA . 21.8 t -38.73 145.11 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.47 1.106 . . . . 10.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 171.85 65.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 10.0 110.328 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.478 ' C ' ' CG1' ' A' ' 17' ' ' ILE . . . -107.46 -153.0 18.27 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.434 1.084 . . . . 10.0 110.986 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.478 ' CG1' ' C ' ' A' ' 16' ' ' GLY . 1.0 OUTLIER -153.25 126.13 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 0.768 . . . . 10.0 109.307 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.898 HG21 HD13 ' A' ' 117' ' ' LEU . 0.0 OUTLIER -123.26 126.52 73.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.15 . . . . 10.0 109.276 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.441 ' HA ' ' O ' ' A' ' 4' ' ' ALA . 0.1 OUTLIER -111.04 158.11 19.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 10.0 109.337 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.83 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 1.7 m-85 -130.88 91.14 3.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 10.0 111.02 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 30' ' ' LYS . 16.6 tt0 -105.81 141.77 36.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 10.0 110.286 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.449 ' HB2' HG13 ' A' ' 29' ' ' VAL . 0.1 OUTLIER -131.95 59.55 1.7 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 10.0 110.283 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.96 63.54 0.48 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 10.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -144.25 169.77 17.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 10.0 110.307 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.1 m -71.28 56.75 0.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 10.0 109.996 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 65.27 26.05 12.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 10.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -84.05 -138.39 3.75 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.505 1.128 . . . . 10.0 110.992 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.4 ' HA ' ' HA ' ' A' ' 102' ' ' SER . 18.2 Cg_endo -74.97 151.34 39.55 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.472 1.775 . . . . 10.0 110.99 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.739 ' HB ' HD11 ' A' ' 104' ' ' ILE . 41.8 t -92.59 133.7 33.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 10.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 21' ' ' GLU . 6.7 mttt -77.85 95.51 4.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 10.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.806 HG22 ' CE2' ' A' ' 20' ' ' PHE . 89.7 t -89.53 119.82 37.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 10.0 109.33 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -159.02 148.52 18.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 10.0 108.044 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.443 ' HA3' ' HA ' ' A' ' 18' ' ' ILE . . . -173.95 -159.49 20.48 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.521 1.138 . . . . 10.0 110.969 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.422 ' O ' ' HA3' ' A' ' 16' ' ' GLY . 0.1 OUTLIER -152.93 150.71 29.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 0.786 . . . . 10.0 109.998 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.951 HG21 HG11 ' A' ' 119' ' ' VAL . 1.2 mt -143.83 99.83 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 10.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.908 ' CB ' HG22 ' A' ' 94' ' ' VAL . 3.5 ptpt -105.13 120.29 41.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 10.0 109.313 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.435 ' CA ' ' HB2' ' A' ' 13' ' ' PRO . . . 164.32 -39.66 0.31 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.47 1.106 . . . . 10.0 110.998 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.64 HD11 HG21 ' A' ' 119' ' ' VAL . 3.4 mp -68.76 -130.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 0.773 . . . . 10.0 109.252 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.613 HG23 ' O ' ' A' ' 38' ' ' LEU . 3.0 p -157.55 141.19 15.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 10.0 110.405 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.881 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -40.24 110.17 0.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 10.0 110.304 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 168.95 -176.06 43.22 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.522 1.139 . . . . 10.0 110.992 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.636 HD23 HD11 ' A' ' 126' ' ' LEU . 9.5 mp -77.7 152.17 33.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.551 0.795 . . . . 10.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.501 ' HB2' HG23 ' A' ' 87' ' ' VAL . 23.1 m-70 -148.47 146.9 28.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 10.0 109.599 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -60.39 -161.91 0.11 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.485 1.115 . . . . 10.0 111.045 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -105.73 167.68 9.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 0.768 . . . . 10.0 111.039 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.489 ' CB ' ' HG ' ' A' ' 117' ' ' LEU . 7.2 p80 -99.27 77.89 2.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 10.0 109.588 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 4.7 t -149.81 134.11 9.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 10.0 109.285 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 10.0 109.592 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.983 -0.847 . . . . 10.0 110.983 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -151.67 -167.64 2.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 0.756 . . . . 10.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -171.01 -59.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 10.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.42 ' C ' ' OD1' ' A' ' 86' ' ' ASN . . . -122.05 -162.58 11.64 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.528 1.142 . . . . 10.0 110.983 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.42 ' OD1' ' C ' ' A' ' 85' ' ' GLY . 2.5 m-20 -140.02 132.5 28.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 0.759 . . . . 10.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.501 HG23 ' HB2' ' A' ' 43' ' ' HIS . 14.4 m -108.16 135.55 46.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 10.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 98.8 m -107.8 144.59 34.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 10.0 110.344 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.881 ' HB3' ' HA ' ' A' ' 40' ' ' GLU . . . -84.99 168.19 15.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 10.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.441 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 9.0 t0 -83.13 -95.48 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 10.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.441 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 15.2 pttt -138.15 12.42 2.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 10.0 109.319 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -153.54 24.33 0.52 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.455 1.097 . . . . 10.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.544 ' CA ' ' HB1' ' A' ' 89' ' ' ALA . . . 87.26 -17.17 44.48 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.45 1.094 . . . . 10.0 110.973 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.908 HG22 ' CB ' ' A' ' 36' ' ' LYS . 21.3 t -53.63 90.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 0.768 . . . . 10.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 93' ' ' GLY . . . -95.25 119.6 34.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.163 . . . . 10.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.406 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 1.5 p30 -113.2 151.13 31.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 10.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.71 ' CG1' HD12 ' A' ' 99' ' ' ILE . 21.5 t -118.96 170.95 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 10.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.536 ' N ' HG12 ' A' ' 97' ' ' VAL . 52.8 p -176.97 83.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.574 1.171 . . . . 10.0 109.974 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.71 HD12 ' CG1' ' A' ' 97' ' ' VAL . 2.9 mt -135.93 167.67 24.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 10.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.532 ' N ' HG22 ' A' ' 99' ' ' ILE . 0.3 OUTLIER -123.59 95.8 4.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 10.0 110.316 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.444 ' HB2' ' CG1' ' A' ' 104' ' ' ILE . 8.2 m-20 -85.76 134.03 33.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 10.0 109.263 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.4 ' HA ' ' HA ' ' A' ' 28' ' ' PRO . 9.3 p -110.01 -21.76 12.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 10.0 110.03 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 50.9 t -72.8 -7.72 10.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 10.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.892 HD13 HG21 ' A' ' 112' ' ' ILE . 2.3 pp -118.48 166.46 12.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 10.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' SER . . . . . 0.745 ' O ' HG23 ' A' ' 112' ' ' ILE . 8.2 t -160.39 162.82 33.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 10.0 110.008 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.977 HD12 HD11 ' A' ' 151' ' ' ILE . 2.2 mm? -71.82 -42.17 67.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 10.0 109.327 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -144.04 159.61 42.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 10.0 109.984 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 130.77 -100.33 0.46 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.486 1.116 . . . . 10.0 110.98 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.91 -43.59 2.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 0.781 . . . . 10.0 109.342 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 22.5 m80 -104.11 66.92 0.84 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 10.0 109.599 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 82.6 p -66.22 137.0 56.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 10.0 110.014 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.892 HG21 HD13 ' A' ' 104' ' ' ILE . 2.1 pp -85.15 -17.4 9.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 10.0 109.298 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.486 HD11 HG12 ' A' ' 151' ' ' ILE . 9.6 mm -67.58 107.98 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 10.0 109.272 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 123.48 -0.58 9.48 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.453 1.096 . . . . 10.0 110.995 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 9.7 mmm180 -84.92 67.25 10.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 0.781 . . . . 10.0 110.27 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.587 HG22 ' O ' ' A' ' 116' ' ' THR . 0.3 OUTLIER -39.35 104.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 10.0 110.405 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.898 HD13 HG21 ' A' ' 18' ' ' ILE . 5.1 tt -78.81 116.46 19.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 10.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.427 ' HB ' ' O ' ' A' ' 145' ' ' ALA . 0.9 OUTLIER -135.71 128.31 46.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 10.0 109.302 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.951 HG11 HG21 ' A' ' 35' ' ' ILE . 4.9 m -75.53 150.39 6.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 10.0 109.356 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' HIS . . . . . 0.546 ' CG ' ' OD2' ' A' ' 124' ' ' ASP . 2.5 m-70 -84.56 127.67 34.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 10.0 109.656 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -38.46 -52.84 1.57 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 10.0 110.341 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.462 ' HB3' ' CB ' ' A' ' 140' ' ' ALA . 6.8 tmtt? -139.73 161.8 36.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 10.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -47.4 142.7 3.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 10.0 109.273 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.546 ' OD2' ' CG ' ' A' ' 120' ' ' HIS . 0.6 OUTLIER -153.38 87.31 1.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 10.0 109.301 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 125' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 126' ' ' LEU . 0.1 OUTLIER 177.02 -39.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 10.0 109.262 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.636 HD11 HD23 ' A' ' 42' ' ' LEU . 0.3 OUTLIER -39.13 -54.4 1.75 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 10.0 109.271 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 110.12 63.13 0.52 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.472 1.108 . . . . 10.0 111.038 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.422 ' HE2' ' ND2' ' A' ' 139' ' ' ASN . 2.8 pttp -54.31 -20.43 7.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 0.752 . . . . 10.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 155.67 -23.3 0.55 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.523 1.14 . . . . 10.0 110.983 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' GLY . . . . . 0.463 ' HA2' ' CB ' ' A' ' 134' ' ' SER . . . 57.85 96.68 0.01 OUTLIER Glycine 0 CA--C 1.531 1.036 0 N-CA-C 111.008 -0.837 . . . . 10.0 111.008 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 131' ' ' ASN . . . . . 0.462 ' O ' ' N ' ' A' ' 133' ' ' GLN . 38.6 m-80 -155.44 104.8 2.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 0.792 . . . . 10.0 109.339 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.482 ' O ' ' NE2' ' A' ' 133' ' ' GLN . 1.6 mp0 37.26 31.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 10.0 110.289 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 133' ' ' GLN . . . . . 0.482 ' NE2' ' O ' ' A' ' 132' ' ' GLU . 0.0 OUTLIER -160.9 -61.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 10.0 110.281 -179.939 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 134' ' ' SER . . . . . 0.463 ' CB ' ' HA2' ' A' ' 130' ' ' GLY . 1.6 m -91.3 -21.21 21.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 10.0 110.039 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 135' ' ' THR . . . . . 0.454 ' N ' ' HA2' ' A' ' 130' ' ' GLY . 6.6 t -65.27 -23.99 67.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 10.0 110.382 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 7.9 mttt -107.48 -32.9 7.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 10.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 137' ' ' THR . . . . . 0.428 ' OG1' ' N ' ' A' ' 138' ' ' GLY . 81.3 p -137.34 -100.5 0.19 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 10.0 110.408 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 138' ' ' GLY . . . . . 0.481 ' HA3' ' CB ' ' A' ' 124' ' ' ASP . . . -174.71 43.89 0.13 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.523 1.139 . . . . 10.0 111.008 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 139' ' ' ASN . . . . . 0.422 ' ND2' ' HE2' ' A' ' 128' ' ' LYS . 54.3 t30 43.03 30.16 0.24 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 0.765 . . . . 10.0 109.309 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.462 ' CB ' ' HB3' ' A' ' 122' ' ' LYS . . . -159.53 42.31 0.22 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 10.0 109.287 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 141' ' ' GLY . . . . . 0.458 ' HA2' ' CE1' ' A' ' 120' ' ' HIS . . . -107.27 104.24 2.1 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.553 1.158 . . . . 10.0 111.005 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 1.8 t -162.31 94.6 0.9 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 0.774 . . . . 10.0 110.005 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.19 128.81 6.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 10.0 110.25 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.1 mp -120.51 -67.75 0.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 10.0 109.301 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 145' ' ' ALA . . . . . 0.71 ' HB2' HG11 ' A' ' 14' ' ' VAL . . . -77.42 175.64 9.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 10.0 109.265 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 146' ' ' CYS . . . . . 0.407 ' O ' ' SG ' ' A' ' 146' ' ' CYS . 2.1 t -157.77 72.83 0.67 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 10.0 108.32 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 147' ' ' GLY . . . . . 0.783 ' HA3' HD22 ' A' ' 8' ' ' LEU . . . -89.48 69.74 2.49 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.521 1.138 . . . . 10.0 110.969 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.522 HG23 ' OG1' ' A' ' 116' ' ' THR . 2.7 t -57.86 118.36 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.517 0.775 . . . . 10.0 109.262 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 149' ' ' ILE . . . . . 0.674 HG21 ' CD1' ' A' ' 20' ' ' PHE . 2.2 mp -70.88 133.7 31.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 10.0 109.272 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -148.88 130.42 3.38 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.492 1.12 . . . . 10.0 110.972 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 151' ' ' ILE . . . . . 0.977 HD11 HD12 ' A' ' 106' ' ' LEU . 22.7 mm -42.95 155.92 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.521 0.777 . . . . 10.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 152' ' ' ALA . . . . . 0.785 ' HB2' HG22 ' A' ' 5' ' ' VAL . . . -113.34 175.94 5.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 10.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 10.0 110.298 -179.996 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.724 HG21 HG23 ' A' ' 151' ' ' ILE . 82.4 m . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 110.405 -0.22 . . . . 10.0 110.405 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.501 ' H ' HG22 ' A' ' 2' ' ' THR . 5.9 tmtt? -112.83 94.83 5.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 10.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.599 ' HB1' HG23 ' A' ' 149' ' ' ILE . . . -84.4 154.92 22.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 10.0 109.273 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.615 HG23 ' CB ' ' A' ' 152' ' ' ALA . 11.1 t -131.06 155.68 42.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 10.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.738 ' HB1' ' O ' ' A' ' 147' ' ' GLY . . . -155.47 89.14 1.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 10.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.439 ' O ' HG13 ' A' ' 7' ' ' VAL . 7.4 p -84.31 108.79 16.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 10.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.55 HD22 ' HA3' ' A' ' 147' ' ' GLY . 0.2 OUTLIER -54.89 137.57 45.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 10.0 109.304 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.2 tttt -173.29 116.46 0.27 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 10.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -172.3 -84.43 0.06 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.527 1.142 . . . . 10.0 111.001 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -42.46 -41.98 3.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.438 0.728 . . . . 10.0 109.301 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 132.27 -58.85 0.69 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.468 1.105 . . . . 10.0 111.012 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -32.63 5.21 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.477 1.777 . . . . 10.0 110.973 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.47 HG12 ' O ' ' A' ' 14' ' ' VAL . 2.5 t -71.34 99.02 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 10.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -122.26 41.63 3.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 10.0 110.289 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.469 ' CA ' ' HA ' ' A' ' 35' ' ' ILE . . . -56.71 163.41 6.26 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.526 1.141 . . . . 10.0 111.026 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.439 HG12 HG23 ' A' ' 7' ' ' VAL . 59.2 mt -139.15 101.09 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.499 0.764 . . . . 10.0 109.261 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.768 HD11 ' CE1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -125.45 136.7 60.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.543 1.152 . . . . 10.0 109.31 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.41 ' ND2' HG13 ' A' ' 5' ' ' VAL . 0.1 OUTLIER -123.61 169.71 11.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 10.0 109.309 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.768 ' CE1' HD11 ' A' ' 18' ' ' ILE . 4.2 m-85 -138.39 98.5 3.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.418 1.074 . . . . 10.0 110.973 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 30' ' ' LYS . 44.9 tt0 -117.5 135.86 53.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 10.0 110.341 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.679 ' HB2' HG22 ' A' ' 29' ' ' VAL . 3.6 tt0 -137.22 59.38 1.68 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 10.0 110.278 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -76.47 66.15 2.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 10.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.507 ' O ' ' CB ' ' A' ' 25' ' ' SER . 20.7 mm-40 -127.92 -53.18 1.32 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.142 . . . . 10.0 110.287 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.507 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 0.7 OUTLIER 85.69 -16.93 0.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 10.0 110.03 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 51.5 p30 -154.48 23.64 0.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 10.0 109.279 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -133.52 -175.9 14.15 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.464 1.103 . . . . 10.0 111.013 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.442 ' HA ' ' HA ' ' A' ' 102' ' ' SER . 18.3 Cg_endo -75.0 170.07 21.23 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.503 1.791 . . . . 10.0 111.003 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.679 HG22 ' HB2' ' A' ' 22' ' ' GLN . 84.1 t -93.84 130.39 42.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 10.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 21' ' ' GLU . 8.2 mttt -75.72 98.0 3.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 10.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.626 HG22 ' CE2' ' A' ' 20' ' ' PHE . 95.1 t -101.8 115.41 43.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 10.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.416 ' HA ' ' O ' ' A' ' 97' ' ' VAL . 1.2 p90 -152.08 155.15 37.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 10.0 107.999 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.43 ' O ' ' HA ' ' A' ' 96' ' ' ASP . . . -176.84 -173.92 42.84 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.456 1.097 . . . . 10.0 110.952 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 59.8 p -156.7 120.3 4.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 0.779 . . . . 10.0 110.036 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.665 HG21 HD13 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -83.25 163.83 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 10.0 109.252 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.504 ' CG ' ' O ' ' A' ' 35' ' ' ILE . 8.0 mttt -157.32 106.33 2.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 10.0 109.277 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 144.81 -45.31 0.85 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.525 1.141 . . . . 10.0 110.98 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.84 HD11 HG11 ' A' ' 119' ' ' VAL . 0.5 OUTLIER -53.06 -171.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 0.776 . . . . 10.0 109.303 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.524 ' O ' ' CE1' ' A' ' 43' ' ' HIS . 1.9 p -132.01 134.61 45.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 10.0 110.413 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.861 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 15.2 pt-20 -37.57 123.01 0.97 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 10.0 110.291 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 147.27 -157.91 27.55 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.474 1.109 . . . . 10.0 111.031 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.785 HD23 ' ND2' ' A' ' 86' ' ' ASN . 9.5 mp -77.19 147.41 36.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 0.786 . . . . 10.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.642 ' CG ' HD22 ' A' ' 38' ' ' LEU . 55.6 m-70 -147.15 114.61 6.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 10.0 109.581 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.443 ' CA ' ' HB2' ' A' ' 120' ' ' HIS . . . -54.52 148.68 20.92 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.471 1.107 . . . . 10.0 111.002 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -118.01 109.33 16.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 0.773 . . . . 10.0 111.026 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.665 ' O ' HG23 ' A' ' 47' ' ' VAL . 54.7 m170 -90.35 173.22 8.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 10.0 109.601 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.665 HG23 ' O ' ' A' ' 46' ' ' HIS . 32.4 t -159.44 76.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 10.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.5 ' CG ' ' HB ' ' A' ' 116' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.553 1.158 . . . . 10.0 109.57 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 111.039 -0.824 . . . . 10.0 111.039 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.95 142.18 38.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 0.734 . . . . 10.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -133.09 14.97 4.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 10.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 82.54 -99.21 2.06 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.501 1.126 . . . . 10.0 110.974 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.785 ' ND2' HD23 ' A' ' 42' ' ' LEU . 21.5 p30 -151.48 152.24 32.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 0.788 . . . . 10.0 109.345 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.571 HG23 ' N ' ' A' ' 88' ' ' THR . 9.8 m -99.64 -147.17 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 10.0 109.28 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.571 ' N ' HG23 ' A' ' 87' ' ' VAL . 42.6 m -155.35 128.86 8.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 10.0 110.397 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.861 ' HB3' ' HA ' ' A' ' 40' ' ' GLU . . . -84.2 175.37 9.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 10.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.449 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 13.2 t0 -80.85 -97.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 10.0 109.342 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.449 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 9.7 pttt -138.05 10.7 2.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 10.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -154.26 23.56 0.48 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 10.0 109.237 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.471 ' CA ' ' HB1' ' A' ' 89' ' ' ALA . . . 90.47 -32.04 5.19 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.508 1.13 . . . . 10.0 111.025 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.51 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 21.1 t -41.77 103.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.49 0.759 . . . . 10.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.441 ' HB3' ' HB ' ' A' ' 35' ' ' ILE . . . -105.93 117.37 33.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 10.0 109.298 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.43 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 2.0 p-10 -103.38 153.35 20.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 10.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 32' ' ' TRP . 57.4 t -133.39 155.87 41.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 10.0 109.279 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.412 ' C ' ' CG1' ' A' ' 99' ' ' ILE . 92.0 p -172.53 97.02 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 10.0 109.986 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.412 ' CG1' ' C ' ' A' ' 98' ' ' SER . 0.8 OUTLIER -149.03 170.92 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 10.0 109.262 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.439 ' HB3' ' CG ' ' A' ' 28' ' ' PRO . 0.6 OUTLIER -124.01 94.82 4.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 10.0 110.289 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -96.38 117.82 31.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 10.0 109.28 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.45 ' C ' ' N ' ' A' ' 104' ' ' ILE . 80.7 p -98.4 -32.09 11.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 10.0 110.012 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 53.4 t -41.1 -28.95 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 10.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.7 ' HB ' HG21 ' A' ' 112' ' ' ILE . 2.6 pp -121.26 170.35 11.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.103 . . . . 10.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' SER . . . . . 0.863 ' C ' HD23 ' A' ' 106' ' ' LEU . 27.9 p -170.8 -179.81 2.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 10.0 109.997 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.863 HD23 ' C ' ' A' ' 105' ' ' SER . 0.2 OUTLIER -108.93 39.69 1.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 10.0 109.34 179.939 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -106.3 159.69 15.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 10.0 109.964 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -66.23 77.39 0.12 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.487 1.117 . . . . 10.0 110.999 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 172.09 -51.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 0.754 . . . . 10.0 109.271 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' HIS . . . . . 0.722 ' O ' HG23 ' A' ' 112' ' ' ILE . 11.3 m80 -115.12 11.69 16.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 10.0 109.565 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 43.5 p -40.69 111.92 0.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 10.0 109.968 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.722 HG23 ' O ' ' A' ' 110' ' ' HIS . 1.2 pt -103.6 20.24 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 10.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.545 HG22 ' O ' ' A' ' 113' ' ' ILE . 17.5 mm -70.6 70.49 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.432 1.083 . . . . 10.0 109.267 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 170.87 39.23 0.03 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.495 1.122 . . . . 10.0 111.016 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.948 ' HB2' HD13 ' A' ' 149' ' ' ILE . 16.7 mtt180 -100.12 88.6 3.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 0.755 . . . . 10.0 110.296 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.763 HG23 HG23 ' A' ' 148' ' ' VAL . 14.2 m -68.94 61.21 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 10.0 110.427 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.402 ' N ' ' O ' ' A' ' 115' ' ' ARG . 1.7 tp -45.63 110.02 0.22 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 10.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.839 HG12 ' O ' ' A' ' 145' ' ' ALA . 0.0 OUTLIER -116.55 97.52 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 10.0 109.32 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.84 HG11 HD11 ' A' ' 38' ' ' LEU . 17.6 t -46.28 171.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.121 . . . . 10.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' HIS . . . . . 0.538 ' H ' HG12 ' A' ' 119' ' ' VAL . 1.0 OUTLIER -99.42 123.45 43.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 10.0 109.586 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -44.7 -34.36 2.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 10.0 110.329 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.46 ' N ' ' HB1' ' A' ' 140' ' ' ALA . 0.0 OUTLIER -148.41 175.12 11.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 10.0 109.281 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.31 -166.1 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.089 . . . . 10.0 109.277 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -154.47 93.9 1.64 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 10.0 109.286 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.61 -25.24 67.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 10.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.561 HD23 ' O ' ' A' ' 134' ' ' SER . 3.5 mt 56.65 18.28 3.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 10.0 109.255 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -178.4 62.07 0.08 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.446 1.091 . . . . 10.0 111.0 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.2 -77.19 0.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 0.774 . . . . 10.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -163.99 29.79 0.24 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.499 1.124 . . . . 10.0 111.024 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -152.04 -173.75 22.0 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.973 -0.851 . . . . 10.0 110.973 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' ASN . . . . . 0.524 ' O ' ' CB ' ' A' ' 132' ' ' GLU . 35.2 m-20 -153.54 149.7 27.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 0.749 . . . . 10.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.524 ' CB ' ' O ' ' A' ' 131' ' ' ASN . 7.9 tt0 88.14 11.81 0.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 10.0 110.283 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -134.98 -81.7 0.43 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 10.0 110.318 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 134' ' ' SER . . . . . 0.561 ' O ' HD23 ' A' ' 126' ' ' LEU . 4.8 m -58.19 -26.04 62.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.165 . . . . 10.0 110.004 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 31.8 p -63.41 -35.02 79.05 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.436 1.085 . . . . 10.0 110.378 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 9.2 pttt -94.19 -32.92 13.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 10.0 109.289 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 32.8 p -125.77 -98.2 0.41 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.155 . . . . 10.0 110.367 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 138' ' ' GLY . . . . . 0.452 ' N ' ' HA ' ' A' ' 134' ' ' SER . . . 166.14 40.83 0.02 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.514 1.133 . . . . 10.0 110.993 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 48.5 24.74 0.79 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 0.783 . . . . 10.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.46 ' HB1' ' N ' ' A' ' 122' ' ' LYS . . . -145.32 21.92 1.52 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 10.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -75.79 85.52 0.87 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.475 1.11 . . . . 10.0 110.96 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.38 1.06 11.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 0.746 . . . . 10.0 110.007 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 143' ' ' ARG . . . . . 0.431 ' HG2' HG21 ' A' ' 118' ' ' VAL . 0.1 OUTLIER 65.63 -84.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 10.0 110.31 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.404 ' O ' ' O ' ' A' ' 143' ' ' ARG . 16.2 mt 61.63 143.78 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 10.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 145' ' ' ALA . . . . . 0.839 ' O ' HG12 ' A' ' 118' ' ' VAL . . . 56.07 168.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 10.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 146' ' ' CYS . . . . . 0.428 ' O ' ' N ' ' A' ' 148' ' ' VAL . 11.0 p -155.56 68.17 0.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 10.0 108.321 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 147' ' ' GLY . . . . . 0.738 ' O ' ' HB1' ' A' ' 6' ' ' ALA . . . -67.98 60.52 0.37 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.547 1.155 . . . . 10.0 111.018 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.763 HG23 HG23 ' A' ' 116' ' ' THR . 3.3 t -61.28 131.77 26.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 0.77 . . . . 10.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 149' ' ' ILE . . . . . 0.948 HD13 ' HB2' ' A' ' 115' ' ' ARG . 4.6 mp -86.15 112.84 23.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 10.0 109.292 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 150' ' ' GLY . . . . . 0.407 ' O ' ' HA ' ' A' ' 4' ' ' ALA . . . -126.78 154.2 19.16 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.531 1.145 . . . . 10.0 110.976 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 151' ' ' ILE . . . . . 0.724 HG23 HG21 ' A' ' 2' ' ' THR . 18.9 mm -57.72 138.53 18.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.547 0.792 . . . . 10.0 109.328 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 152' ' ' ALA . . . . . 0.615 ' CB ' HG23 ' A' ' 5' ' ' VAL . . . -141.13 157.5 45.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.155 . . . . 10.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 1.6 pm0 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 10.0 110.32 179.975 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.954 ' CG2' HD12 ' A' ' 151' ' ' ILE . 41.4 m . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.406 -0.22 . . . . 10.0 110.406 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.4 tmtt? -138.98 110.79 7.17 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.485 1.115 . . . . 10.0 109.288 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.929 ' HB3' ' HB2' ' A' ' 20' ' ' PHE . . . -84.54 159.91 20.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.415 1.072 . . . . 10.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.459 HG23 ' HB3' ' A' ' 152' ' ' ALA . 1.9 t -143.45 155.35 16.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 10.0 109.326 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.967 ' HB3' HG23 ' A' ' 18' ' ' ILE . . . -146.8 91.76 2.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 10.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.495 ' O ' HG13 ' A' ' 7' ' ' VAL . 7.7 p -83.7 92.87 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 10.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.678 HD12 ' HB3' ' A' ' 145' ' ' ALA . 3.3 mm? -44.04 131.93 5.66 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 10.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.9 tttm -168.01 102.58 0.46 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 10.0 109.314 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 11' ' ' ASP . . . -163.26 -93.28 0.09 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.472 1.107 . . . . 10.0 110.97 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 10' ' ' GLY . 24.9 t70 -38.59 -65.46 0.35 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 0.791 . . . . 10.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 155.02 -59.36 0.38 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.501 1.126 . . . . 10.0 111.022 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.407 ' O ' ' O ' ' A' ' 36' ' ' LYS . 18.0 Cg_endo -75.05 -34.51 3.72 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.478 1.778 . . . . 10.0 110.962 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.97 HG21 HD13 ' A' ' 144' ' ' LEU . 31.2 t -71.21 94.75 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 10.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -120.85 47.13 1.87 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 10.0 110.281 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.491 ' N ' ' HB2' ' A' ' 8' ' ' LEU . . . -59.52 166.7 8.87 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.544 1.152 . . . . 10.0 110.987 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 22.0 mt -139.39 99.35 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.499 0.764 . . . . 10.0 109.272 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.993 HD12 ' N ' ' A' ' 19' ' ' ASN . 0.1 OUTLIER -108.34 135.2 47.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 10.0 109.341 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.993 ' N ' HD12 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -131.23 145.32 51.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 10.0 109.291 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.929 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 5.5 m-85 -115.62 135.75 53.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 10.0 110.948 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.467 ' HB2' ' CH2' ' A' ' 32' ' ' TRP . 4.3 tp10 -130.49 128.1 40.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 10.0 110.29 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.906 ' HB2' HG13 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -145.27 64.62 1.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.426 1.079 . . . . 10.0 110.295 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 22.3 mtmt -72.78 63.95 0.64 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.562 1.164 . . . . 10.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.51 ' O ' ' CB ' ' A' ' 25' ' ' SER . 0.2 OUTLIER -153.72 -49.41 0.09 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.451 1.094 . . . . 10.0 110.307 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.51 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 0.3 OUTLIER 85.65 -13.44 0.61 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 10.0 109.971 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -156.21 24.65 0.36 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.137 . . . . 10.0 109.345 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -124.17 -159.5 10.46 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.537 1.148 . . . . 10.0 110.997 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.43 ' HA ' ' O ' ' A' ' 101' ' ' ASP . 18.2 Cg_endo -75.05 142.52 27.8 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.469 1.773 . . . . 10.0 110.999 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.906 HG13 ' HB2' ' A' ' 22' ' ' GLN . 10.9 t -101.48 103.0 14.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.424 1.077 . . . . 10.0 109.271 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.511 ' O ' ' CZ3' ' A' ' 32' ' ' TRP . 59.6 mttt -73.23 100.11 3.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 10.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.615 HG13 ' CD1' ' A' ' 20' ' ' PHE . 40.4 t -101.27 143.41 14.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 10.0 109.253 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.511 ' CZ3' ' O ' ' A' ' 30' ' ' LYS . 35.6 p90 -164.11 145.19 8.54 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.996 -1.113 . . . . 10.0 107.996 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.45 ' O ' ' HA ' ' A' ' 96' ' ' ASP . . . -158.58 -174.21 27.98 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.51 1.131 . . . . 10.0 111.015 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 21.5 p -157.14 120.42 4.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 0.753 . . . . 10.0 110.029 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.552 HG21 HD13 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -83.93 165.83 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 10.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.518 ' CG ' ' O ' ' A' ' 35' ' ' ILE . 14.6 mttm -157.1 111.56 2.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 10.0 109.267 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.437 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 142.1 -48.47 0.79 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.496 1.123 . . . . 10.0 111.02 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.732 HD22 ' CG ' ' A' ' 43' ' ' HIS . 0.8 OUTLIER -52.88 -172.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 0.782 . . . . 10.0 109.334 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.561 ' O ' ' CE1' ' A' ' 43' ' ' HIS . 20.0 p -129.64 139.46 51.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 10.0 110.411 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.76 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 1.5 pt-20 -36.42 130.77 0.68 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 10.0 110.271 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.43 ' O ' ' HA ' ' A' ' 88' ' ' THR . . . 139.33 -161.01 26.05 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.51 1.131 . . . . 10.0 111.019 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.456 ' O ' ' ND1' ' A' ' 43' ' ' HIS . 0.4 OUTLIER -77.32 142.99 39.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 0.776 . . . . 10.0 109.28 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.732 ' CG ' HD22 ' A' ' 38' ' ' LEU . 21.4 m-70 -141.75 123.21 14.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 10.0 109.586 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.711 ' O ' HG12 ' A' ' 119' ' ' VAL . . . -59.12 172.05 4.6 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.536 1.147 . . . . 10.0 111.0 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -138.12 68.95 1.39 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.539 0.788 . . . . 10.0 110.978 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.766 ' O ' HG23 ' A' ' 47' ' ' VAL . 57.1 m170 -52.78 174.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 10.0 109.63 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.766 HG23 ' O ' ' A' ' 46' ' ' HIS . 8.2 t -161.73 74.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 10.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.818 ' CG ' HG22 ' A' ' 116' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 10.0 109.6 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.463 ' O ' ' N ' ' A' ' 47' ' ' VAL . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.995 -0.842 . . . . 10.0 110.995 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -90.93 158.66 16.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 0.774 . . . . 10.0 109.274 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.486 ' O ' HD23 ' A' ' 84' ' ' LEU . 2.4 tt -147.64 50.77 1.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 10.0 109.294 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 65.93 -160.73 44.82 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.507 1.129 . . . . 10.0 111.007 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -126.38 175.33 7.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 0.753 . . . . 10.0 109.291 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.645 HG23 ' N ' ' A' ' 88' ' ' THR . 5.1 m -133.37 -147.04 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 10.0 109.266 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.645 ' N ' HG23 ' A' ' 87' ' ' VAL . 3.8 m -154.91 135.99 13.87 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.504 1.127 . . . . 10.0 110.392 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.76 ' HB3' ' HA ' ' A' ' 40' ' ' GLU . . . -85.18 175.58 8.88 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 10.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.439 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 12.1 t0 -84.26 -96.08 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 10.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.439 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 8.9 pttt -138.48 12.04 2.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 10.0 109.274 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -157.78 26.08 0.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 10.0 109.286 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.491 ' CA ' ' HB1' ' A' ' 89' ' ' ALA . . . 92.07 -34.79 4.25 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.496 1.122 . . . . 10.0 111.008 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.507 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 20.5 t -38.98 100.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.485 0.756 . . . . 10.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -105.65 117.98 35.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 10.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.45 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 2.8 p-10 -106.87 152.93 23.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.108 . . . . 10.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 97.7 t -127.63 159.28 38.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 10.0 109.311 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 59.6 p -165.39 90.69 0.49 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 10.0 109.975 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 6.7 mt -120.34 149.84 23.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 10.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -141.76 88.62 2.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 10.0 110.316 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.43 ' O ' ' HA ' ' A' ' 28' ' ' PRO . 0.6 OUTLIER -128.03 156.84 42.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 10.0 109.265 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 89.0 p -120.11 28.83 7.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 10.0 110.023 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 95.7 t -90.55 -36.84 8.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 10.0 109.302 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.566 HG13 HG21 ' A' ' 112' ' ' ILE . 0.2 OUTLIER -83.25 -171.16 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.16 . . . . 10.0 109.288 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 105' ' ' SER . . . . . 0.581 ' O ' HG23 ' A' ' 112' ' ' ILE . 17.6 t -160.79 170.59 20.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 10.0 110.008 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.468 ' HA ' ' CD1' ' A' ' 112' ' ' ILE . 9.0 mp -92.15 -42.94 9.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 10.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.46 80.09 1.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 10.0 110.001 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -151.15 -99.75 0.2 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.477 1.11 . . . . 10.0 110.97 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -113.92 -34.02 5.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 0.781 . . . . 10.0 109.25 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 11.5 m80 -119.7 65.15 0.81 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.57 1.169 . . . . 10.0 109.614 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 97.7 p -68.81 125.19 25.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 10.0 109.968 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.581 HG23 ' O ' ' A' ' 105' ' ' SER . 0.2 OUTLIER -83.98 -3.25 7.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 10.0 109.283 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.441 HD13 HG12 ' A' ' 151' ' ' ILE . 5.2 mt -72.92 150.67 8.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 10.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 65.03 24.83 70.51 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.49 1.119 . . . . 10.0 110.981 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 23.2 mtp180 -116.0 59.66 0.73 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 0.78 . . . . 10.0 110.315 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.818 HG22 ' CG ' ' A' ' 48' ' ' HIS . 1.2 t -56.66 166.51 0.92 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 10.0 110.404 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.979 HD22 ' O ' ' A' ' 117' ' ' LEU . 0.0 OUTLIER -130.35 115.04 16.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 10.0 109.307 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.7 HG12 ' H ' ' A' ' 144' ' ' LEU . 0.1 OUTLIER -113.08 78.61 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.127 . . . . 10.0 109.29 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.837 HG23 HD12 ' A' ' 144' ' ' LEU . 1.5 m -49.43 145.96 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 10.0 109.297 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' HIS . . . . . 0.604 ' CD2' ' O ' ' A' ' 122' ' ' LYS . 0.8 OUTLIER -83.85 161.86 20.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 10.0 109.645 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.502 ' O ' ' CB ' ' A' ' 122' ' ' LYS . 5.8 tt0 -96.45 54.14 1.35 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 10.0 110.258 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.604 ' O ' ' CD2' ' A' ' 120' ' ' HIS . 0.3 OUTLIER 164.18 157.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 10.0 109.272 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -92.19 129.18 38.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.572 1.17 . . . . 10.0 109.279 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -62.46 -13.82 34.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 10.0 109.31 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 22.4 t0 60.84 26.92 16.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 10.0 109.283 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 7.0 mt 53.57 20.33 2.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 10.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 123.44 86.74 0.77 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.542 1.151 . . . . 10.0 110.951 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.78 -33.5 4.46 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.557 0.798 . . . . 10.0 109.273 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 103.03 -5.49 50.14 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.51 1.131 . . . . 10.0 110.965 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -69.73 -164.23 4.25 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.996 -0.842 . . . . 10.0 110.996 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' ASN . . . . . 0.471 ' O ' ' CB ' ' A' ' 132' ' ' GLU . 7.9 m120 -148.42 127.67 12.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 0.758 . . . . 10.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.471 ' CB ' ' O ' ' A' ' 131' ' ' ASN . 13.0 tt0 84.01 -11.07 0.88 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 10.0 110.265 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -118.0 -57.87 2.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.417 1.073 . . . . 10.0 110.284 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 134' ' ' SER . . . . . 0.546 ' HA ' ' CA ' ' A' ' 138' ' ' GLY . 0.0 OUTLIER -84.34 -29.57 26.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 10.0 110.007 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.84 -4.27 23.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 10.0 110.398 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.617 ' HG2' HG23 ' A' ' 137' ' ' THR . 2.4 ttpt -105.59 -59.75 1.72 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 10.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 137' ' ' THR . . . . . 0.617 HG23 ' HG2' ' A' ' 136' ' ' LYS . 23.4 p -117.73 -32.98 4.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.088 . . . . 10.0 110.39 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 138' ' ' GLY . . . . . 0.546 ' CA ' ' HA ' ' A' ' 134' ' ' SER . . . 120.89 8.8 7.86 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.518 1.136 . . . . 10.0 110.976 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 139' ' ' ASN . . . . . 0.509 ' CB ' ' O ' ' A' ' 138' ' ' GLY . 1.0 OUTLIER 83.76 25.18 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 0.775 . . . . 10.0 109.344 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.421 ' O ' ' ND1' ' A' ' 120' ' ' HIS . . . -161.44 79.12 0.58 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 10.0 109.317 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -147.43 81.54 0.2 Allowed Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.495 1.122 . . . . 10.0 111.024 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.81 5.9 5.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.413 0.714 . . . . 10.0 109.992 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 59.27 -175.99 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 10.0 110.263 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.97 HD13 HG21 ' A' ' 14' ' ' VAL . 15.4 mt -155.35 -99.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 10.0 109.364 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 145' ' ' ALA . . . . . 0.678 ' HB3' HD12 ' A' ' 8' ' ' LEU . . . -108.84 156.81 19.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 10.0 109.323 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 1.2 p -121.2 72.63 1.0 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 10.0 108.307 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 147' ' ' GLY . . . . . 0.584 ' H ' HD13 ' A' ' 8' ' ' LEU . . . -51.7 -45.16 54.97 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.475 1.11 . . . . 10.0 111.009 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.513 ' N ' ' OG1' ' A' ' 116' ' ' THR . 2.2 t 66.89 114.98 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 0.772 . . . . 10.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 149' ' ' ILE . . . . . 0.606 HG13 ' HB2' ' A' ' 6' ' ' ALA . 4.2 mp -84.01 93.53 3.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.501 1.126 . . . . 10.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -113.96 158.41 14.32 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.483 1.114 . . . . 10.0 110.996 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 151' ' ' ILE . . . . . 0.954 HD12 ' CG2' ' A' ' 2' ' ' THR . 35.1 mm -66.28 147.47 12.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.433 0.725 . . . . 10.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 152' ' ' ALA . . . . . 0.459 ' HB3' HG23 ' A' ' 5' ' ' VAL . . . -143.06 167.48 21.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 10.0 109.298 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 10.0 110.268 -179.961 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.9 p . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.412 -0.218 . . . . 10.0 110.412 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.803 ' O ' ' HB3' ' A' ' 152' ' ' ALA . 0.0 OUTLIER -94.76 131.67 40.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 10.0 109.267 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.508 ' CB ' HG22 ' A' ' 149' ' ' ILE . . . -107.43 163.54 12.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 10.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.863 HG23 ' HB2' ' A' ' 152' ' ' ALA . 14.0 t -130.4 159.7 42.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 10.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.761 ' HB1' ' O ' ' A' ' 147' ' ' GLY . . . -155.99 91.67 1.3 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 10.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 56.6 t -82.42 98.45 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 10.0 109.325 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.575 HD22 ' HA3' ' A' ' 147' ' ' GLY . 3.1 mm? -41.09 144.06 0.33 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 10.0 109.294 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.714 ' H ' ' HB1' ' A' ' 145' ' ' ALA . 9.0 tttt 178.2 125.13 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 10.0 109.299 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 170.82 -91.73 0.1 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.57 1.169 . . . . 10.0 110.995 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.434 ' OD2' HD23 ' A' ' 144' ' ' LEU . 26.5 t0 -40.04 -66.32 0.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 0.77 . . . . 10.0 109.271 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.401 ' N ' ' CD ' ' A' ' 13' ' ' PRO . . . 157.49 -56.55 0.37 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.502 1.126 . . . . 10.0 110.994 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.41 ' O ' ' O ' ' A' ' 36' ' ' LYS . 18.3 Cg_endo -74.99 -52.37 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.518 1.799 . . . . 10.0 111.016 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.478 HG22 HD12 ' A' ' 38' ' ' LEU . 71.7 t -62.38 94.7 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 10.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -133.87 50.3 2.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 10.0 110.277 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.497 ' N ' ' HB2' ' A' ' 8' ' ' LEU . . . -75.61 -171.62 30.72 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.474 1.109 . . . . 10.0 110.982 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.423 HG13 ' C ' ' A' ' 16' ' ' GLY . 65.0 mt -142.98 116.97 3.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.531 0.783 . . . . 10.0 109.315 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.774 HD13 ' C ' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -122.61 133.34 69.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 10.0 109.291 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -122.65 150.66 42.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 10.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.814 ' CE2' HG22 ' A' ' 31' ' ' VAL . 2.9 m-85 -123.93 94.13 4.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 10.0 110.99 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.473 ' HA ' ' CB ' ' A' ' 3' ' ' LYS . 32.9 tt0 -83.75 122.89 29.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 10.0 110.275 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.869 ' CG ' HG22 ' A' ' 29' ' ' VAL . 0.3 OUTLIER -150.41 61.62 0.96 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.453 1.095 . . . . 10.0 110.324 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.87 65.18 2.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 10.0 109.3 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.433 ' HB3' ' N ' ' A' ' 27' ' ' GLY . 1.2 mt-10 -155.6 138.82 15.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 10.0 110.325 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 53.5 m -77.02 -7.49 55.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 10.0 110.02 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 12.0 m-20 -155.47 28.94 0.39 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 10.0 109.262 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.433 ' N ' ' HB3' ' A' ' 24' ' ' GLU . . . -108.53 156.01 15.9 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.468 1.105 . . . . 10.0 110.981 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.443 ' HA ' ' O ' ' A' ' 101' ' ' ASP . 18.5 Cg_endo -75.01 168.23 25.29 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.503 1.791 . . . . 10.0 111.025 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.869 HG22 ' CG ' ' A' ' 22' ' ' GLN . 42.8 t -96.08 98.02 7.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 10.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.464 ' HG2' ' CG ' ' A' ' 100' ' ' GLU . 34.0 mttt -60.66 89.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 10.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.814 HG22 ' CE2' ' A' ' 20' ' ' PHE . 45.6 t -84.76 117.91 30.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 10.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -149.93 160.93 43.22 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.955 -1.128 . . . . 10.0 107.955 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.433 ' O ' ' HA ' ' A' ' 96' ' ' ASP . . . 175.59 -171.26 44.36 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.53 1.144 . . . . 10.0 111.011 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 80.4 p -156.68 122.72 4.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 0.766 . . . . 10.0 109.999 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.872 HG21 HD13 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -83.87 165.83 2.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.434 1.084 . . . . 10.0 109.274 -179.943 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.507 ' N ' HG23 ' A' ' 35' ' ' ILE . 21.3 mttm -156.06 108.26 2.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 10.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.457 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 144.24 -47.89 0.75 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.504 1.127 . . . . 10.0 110.967 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.872 HD13 HG21 ' A' ' 35' ' ' ILE . 3.5 mp -51.98 -172.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 0.767 . . . . 10.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.437 ' O ' ' NE2' ' A' ' 43' ' ' HIS . 21.5 p -132.73 137.31 46.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 10.0 110.401 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.718 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 5.6 pt-20 -36.63 122.06 0.77 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.574 1.171 . . . . 10.0 110.301 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.514 ' C ' HD13 ' A' ' 42' ' ' LEU . . . 146.51 -157.58 27.44 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.451 1.094 . . . . 10.0 111.023 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.769 ' N ' HD13 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -92.18 157.43 16.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 0.752 . . . . 10.0 109.314 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.619 ' CG ' HD23 ' A' ' 38' ' ' LEU . 87.3 m-70 -154.92 148.87 25.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 10.0 109.62 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -48.12 176.91 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.468 1.105 . . . . 10.0 111.028 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.787 ' CZ ' HD22 ' A' ' 84' ' ' LEU . 2.2 t80 -104.7 155.02 19.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 0.79 . . . . 10.0 111.03 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.42 ' O ' ' HB ' ' A' ' 47' ' ' VAL . 0.4 OUTLIER -60.94 177.18 0.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.429 1.081 . . . . 10.0 109.612 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.42 ' HB ' ' O ' ' A' ' 46' ' ' HIS . 11.7 t 75.35 111.88 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 10.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.56 ' CD2' ' HG3' ' A' ' 143' ' ' ARG . 44.8 p-80 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 10.0 109.556 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.986 -0.846 . . . . 10.0 110.986 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -99.77 140.79 33.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 0.752 . . . . 10.0 109.283 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.787 HD22 ' CZ ' ' A' ' 45' ' ' PHE . 4.8 tt -154.32 -73.45 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 10.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -165.55 -176.68 37.24 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.502 1.126 . . . . 10.0 111.028 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 12.6 m-20 -97.45 144.17 27.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 0.764 . . . . 10.0 109.28 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.478 HG22 ' O ' ' A' ' 43' ' ' HIS . 17.1 m -92.52 -166.51 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 10.0 109.248 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.426 ' HA ' ' O ' ' A' ' 41' ' ' GLY . 87.2 m -153.83 136.44 15.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 10.0 110.39 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.718 ' HB3' ' HA ' ' A' ' 40' ' ' GLU . . . -92.12 175.86 6.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 10.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.45 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 11.4 t0 -80.59 -97.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 10.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.45 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 7.7 pttt -137.14 10.87 3.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 10.0 109.342 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -158.0 25.26 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 10.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.525 ' CA ' ' HB1' ' A' ' 89' ' ' ALA . . . 95.55 -38.88 2.98 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.503 1.127 . . . . 10.0 111.029 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.464 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 21.3 t -36.76 99.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.489 0.758 . . . . 10.0 109.335 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 93' ' ' GLY . . . -103.06 119.24 38.5 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.478 1.111 . . . . 10.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.433 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 4.1 p-10 -107.17 148.51 28.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.56 1.163 . . . . 10.0 109.301 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 29.7 t -121.38 159.6 23.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 10.0 109.331 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 95.9 p -170.54 83.75 0.1 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 10.0 109.97 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 5.1 mt -126.24 157.26 36.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 10.0 109.278 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.464 ' CG ' ' HG2' ' A' ' 30' ' ' LYS . 8.4 mt-10 -130.74 103.11 6.41 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.536 1.147 . . . . 10.0 110.286 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.443 ' O ' ' HA ' ' A' ' 28' ' ' PRO . 8.2 m-20 -98.56 116.58 31.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 10.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.65 ' O ' HG13 ' A' ' 103' ' ' VAL . 77.6 p -105.83 74.2 1.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 10.0 109.995 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.65 HG13 ' O ' ' A' ' 102' ' ' SER . 0.0 OUTLIER -163.29 -47.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 10.0 109.289 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.55 HD13 ' H ' ' A' ' 104' ' ' ILE . 0.2 OUTLIER -87.01 172.67 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 10.0 109.334 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 105' ' ' SER . . . . . 0.835 ' O ' HG23 ' A' ' 112' ' ' ILE . 2.2 t -152.3 171.59 17.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 10.0 110.006 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.543 ' CD2' ' N ' ' A' ' 106' ' ' LEU . 0.2 OUTLIER -74.53 -42.19 59.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 10.0 109.308 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.14 158.29 44.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 10.0 109.996 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 131.17 -81.9 0.32 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.509 1.131 . . . . 10.0 111.003 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -142.41 -47.32 0.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 0.785 . . . . 10.0 109.315 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 16.3 m80 -100.02 66.93 1.38 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 10.0 109.604 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 81.2 p -65.81 135.45 54.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.565 1.166 . . . . 10.0 110.007 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.835 HG23 ' O ' ' A' ' 105' ' ' SER . 1.0 OUTLIER -85.08 -33.32 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.424 1.078 . . . . 10.0 109.283 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.563 HD11 HG12 ' A' ' 151' ' ' ILE . 7.7 mt -47.09 134.92 3.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.565 1.166 . . . . 10.0 109.336 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 122.64 -14.62 8.6 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.483 1.114 . . . . 10.0 111.027 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.481 ' O ' HD12 ' A' ' 149' ' ' ILE . 0.0 OUTLIER -96.77 173.78 7.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.439 0.729 . . . . 10.0 110.334 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.989 HG23 HG23 ' A' ' 118' ' ' VAL . 13.9 t -158.08 132.55 8.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 10.0 110.372 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.514 ' HB3' HG21 ' A' ' 18' ' ' ILE . 0.1 OUTLIER -71.88 62.53 0.44 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 10.0 109.258 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.989 HG23 HG23 ' A' ' 116' ' ' THR . 2.9 t -73.53 152.84 7.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 10.0 109.292 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -125.79 -171.78 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 10.0 109.318 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 31.6 m-70 -140.85 148.04 39.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 10.0 109.622 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.539 ' O ' ' CB ' ' A' ' 122' ' ' LYS . 6.7 tt0 -84.55 46.66 1.26 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 10.0 110.267 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.747 ' HB3' ' HB1' ' A' ' 140' ' ' ALA . 0.0 OUTLIER 161.24 168.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 10.0 109.296 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.468 ' HB2' ' HB2' ' A' ' 42' ' ' LEU . . . -99.46 163.37 12.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 10.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -79.65 -11.83 59.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 10.0 109.325 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 4.1 t70 65.47 28.07 11.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 10.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 6.3 mt 54.58 20.07 2.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 10.0 109.29 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 111.86 102.27 2.62 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.513 1.133 . . . . 10.0 110.995 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.59 -75.33 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 0.734 . . . . 10.0 109.275 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 148.38 -18.22 1.32 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.49 1.119 . . . . 10.0 110.991 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -59.37 -162.46 0.08 OUTLIER Glycine 0 CA--C 1.529 0.937 0 N-CA-C 111.034 -0.826 . . . . 10.0 111.034 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' ASN . . . . . 0.493 ' O ' ' CB ' ' A' ' 132' ' ' GLU . 8.4 p30 -144.83 129.68 18.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 0.724 . . . . 10.0 109.279 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.493 ' CB ' ' O ' ' A' ' 131' ' ' ASN . 0.9 OUTLIER 85.43 -11.13 0.74 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.16 . . . . 10.0 110.323 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -111.05 -65.44 1.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 10.0 110.293 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 76.6 p -74.38 -24.56 59.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.469 1.106 . . . . 10.0 110.019 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 8.5 p -71.05 -10.16 59.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 10.0 110.41 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.7 -55.32 2.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 10.0 109.28 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 60.0 p -118.4 -87.81 0.62 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 10.0 110.385 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 177.14 37.7 0.06 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.456 1.097 . . . . 10.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 41.15 46.05 2.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 0.74 . . . . 10.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.747 ' HB1' ' HB3' ' A' ' 122' ' ' LYS . . . -172.77 -40.11 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 10.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 141' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 140' ' ' ALA . . . -35.66 96.14 0.01 OUTLIER Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.536 1.148 . . . . 10.0 110.981 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 142' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 140' ' ' ALA . 11.7 t -107.53 98.74 8.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 0.766 . . . . 10.0 109.997 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 143' ' ' ARG . . . . . 0.56 ' HG3' ' CD2' ' A' ' 48' ' ' HIS . 1.0 OUTLIER -42.95 151.54 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 10.0 110.31 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.434 HD23 ' OD2' ' A' ' 11' ' ' ASP . 1.0 OUTLIER -140.59 -128.84 0.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.123 . . . . 10.0 109.31 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 145' ' ' ALA . . . . . 0.714 ' HB1' ' H ' ' A' ' 9' ' ' LYS . . . -65.69 174.93 2.07 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.1 . . . . 10.0 109.253 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 8.6 p -140.72 71.46 1.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 10.0 108.261 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 147' ' ' GLY . . . . . 0.761 ' O ' ' HB1' ' A' ' 6' ' ' ALA . . . -68.29 66.7 0.38 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.57 1.169 . . . . 10.0 111.047 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.457 ' CG2' ' HB ' ' A' ' 116' ' ' THR . 1.2 t -60.97 133.1 26.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.526 0.78 . . . . 10.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 149' ' ' ILE . . . . . 0.508 HG22 ' CB ' ' A' ' 4' ' ' ALA . 3.0 mp -77.14 127.78 38.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 10.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -134.91 148.1 19.42 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.559 1.162 . . . . 10.0 110.989 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 151' ' ' ILE . . . . . 0.563 HG12 HD11 ' A' ' 113' ' ' ILE . 21.4 mm -43.77 143.81 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.536 0.786 . . . . 10.0 109.334 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 152' ' ' ALA . . . . . 0.863 ' HB2' HG23 ' A' ' 5' ' ' VAL . . . -124.51 172.09 9.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 10.0 109.273 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 10.0 110.332 179.95 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.757 HG23 ' CD1' ' A' ' 151' ' ' ILE . 35.6 m . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 110.385 -0.228 . . . . 10.0 110.385 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.13 97.53 9.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.568 1.168 . . . . 10.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.88 ' HB3' ' HB2' ' A' ' 20' ' ' PHE . . . -84.86 153.81 22.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 10.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.457 HG23 ' HB2' ' A' ' 152' ' ' ALA . 10.5 t -126.05 150.93 31.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 10.0 109.266 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.588 ' HB1' ' C ' ' A' ' 147' ' ' GLY . . . -156.27 88.69 1.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 10.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.575 ' O ' HG13 ' A' ' 7' ' ' VAL . 14.5 p -81.81 99.78 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 10.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.563 HD21 ' CG2' ' A' ' 18' ' ' ILE . 0.7 OUTLIER -46.66 138.83 5.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.148 . . . . 10.0 109.29 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.429 ' H ' ' HB1' ' A' ' 145' ' ' ALA . 19.6 tttt -169.71 112.76 0.49 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 10.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 11' ' ' ASP . . . -156.6 -102.61 0.19 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.491 1.119 . . . . 10.0 110.986 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.909 ' HB2' HD22 ' A' ' 144' ' ' LEU . 38.4 t0 -40.27 -66.46 0.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 0.753 . . . . 10.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 160.37 -62.39 0.29 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.496 1.123 . . . . 10.0 110.967 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 54.65 3.71 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.514 1.797 . . . . 10.0 111.012 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.576 ' O ' HG13 ' A' ' 14' ' ' VAL . 3.4 p -173.41 109.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 10.0 109.307 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -132.12 48.11 2.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 10.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.501 ' N ' ' HB2' ' A' ' 8' ' ' LEU . . . -51.37 168.84 0.46 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.481 1.113 . . . . 10.0 110.985 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.423 HG13 ' C ' ' A' ' 16' ' ' GLY . 64.6 mt -142.13 98.85 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 0.765 . . . . 10.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.66 HD12 ' N ' ' A' ' 19' ' ' ASN . 0.1 OUTLIER -109.24 133.73 53.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 10.0 109.289 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.66 ' N ' HD12 ' A' ' 18' ' ' ILE . 0.1 OUTLIER -131.06 144.32 51.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 10.0 109.302 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.88 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 25.0 m-85 -114.31 107.88 16.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 10.0 110.988 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 30' ' ' LYS . 5.0 tt0 -100.0 150.93 21.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 10.0 110.29 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.458 ' HG3' HG22 ' A' ' 29' ' ' VAL . 10.8 tt0 -150.96 83.41 1.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 10.0 110.336 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.3 mttt -75.74 57.99 1.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 10.0 109.283 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.515 ' O ' ' CB ' ' A' ' 25' ' ' SER . 3.8 mp0 -155.62 -47.13 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 10.0 110.305 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.515 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 1.4 t 86.47 -14.87 0.48 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 10.0 109.981 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -157.51 25.29 0.29 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 10.0 109.336 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -125.1 -144.25 6.26 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.486 1.116 . . . . 10.0 110.971 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.483 ' HA ' ' O ' ' A' ' 101' ' ' ASP . 18.4 Cg_endo -75.0 152.84 41.24 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.541 1.811 . . . . 10.0 110.993 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.458 HG22 ' HG3' ' A' ' 22' ' ' GLN . 49.0 t -115.18 109.9 30.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 10.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 21' ' ' GLU . 40.5 mttt -74.32 97.59 3.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 10.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.744 HG22 ' CD2' ' A' ' 20' ' ' PHE . 23.8 t -95.57 130.27 44.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 10.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.53 ' O ' HD12 ' A' ' 18' ' ' ILE . 7.0 p90 -158.2 150.54 22.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 10.0 107.985 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.403 ' O ' ' HA ' ' A' ' 96' ' ' ASP . . . -159.86 -176.41 31.91 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.474 1.109 . . . . 10.0 111.011 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 7.5 p -156.28 118.99 4.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 0.77 . . . . 10.0 109.981 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.801 ' O ' HG13 ' A' ' 94' ' ' VAL . 0.2 OUTLIER -87.18 166.36 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 10.0 109.301 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.6 ' HA ' HG22 ' A' ' 94' ' ' VAL . 0.0 OUTLIER -161.95 112.21 1.58 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 10.0 109.314 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.409 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 134.97 -36.36 2.07 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.511 1.132 . . . . 10.0 110.97 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.603 HD13 HG21 ' A' ' 35' ' ' ILE . 0.2 OUTLIER -54.31 -169.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 0.76 . . . . 10.0 109.311 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.419 ' O ' ' NE2' ' A' ' 43' ' ' HIS . 3.3 p -121.44 132.42 54.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 10.0 110.434 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.764 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 0.4 OUTLIER -46.67 132.09 11.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 10.0 110.329 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.468 ' C ' HD13 ' A' ' 42' ' ' LEU . . . 136.02 -146.02 18.0 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.521 1.138 . . . . 10.0 111.016 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.507 ' N ' HD13 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -96.24 151.35 19.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 0.805 . . . . 10.0 109.275 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.578 ' N ' ' HB2' ' A' ' 123' ' ' ALA . 66.5 m-70 -155.27 166.93 32.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 10.0 109.613 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.599 ' C ' ' CD1' ' A' ' 45' ' ' PHE . . . -119.09 144.94 18.05 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.473 1.108 . . . . 10.0 110.981 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.741 ' HD2' HG12 ' A' ' 119' ' ' VAL . 4.4 m-85 -155.88 136.66 13.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 0.772 . . . . 10.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.457 ' O ' HG22 ' A' ' 118' ' ' VAL . 23.6 p80 -178.21 176.25 1.12 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 10.0 109.581 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.479 ' CG1' ' N ' ' A' ' 48' ' ' HIS . 44.6 t -57.12 165.19 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.452 1.095 . . . . 10.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.483 ' CD2' HG11 ' A' ' 118' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 10.0 109.596 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.002 -0.839 . . . . 10.0 111.002 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.4 ' HB2' ' CD2' ' A' ' 46' ' ' HIS . 6.2 t70 -90.42 124.84 35.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 0.753 . . . . 10.0 109.266 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.5 tt -89.12 -26.1 21.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 10.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 158.82 -169.61 35.18 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.488 1.118 . . . . 10.0 110.998 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.519 ' ND2' ' HB1' ' A' ' 123' ' ' ALA . 1.0 OUTLIER -94.49 156.57 16.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 0.751 . . . . 10.0 109.318 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.489 ' CG2' ' CE1' ' A' ' 45' ' ' PHE . 30.6 m -118.94 -175.11 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 10.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.7 m -135.93 129.11 31.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 10.0 110.351 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.764 ' HB3' ' HA ' ' A' ' 40' ' ' GLU . . . -84.5 173.89 10.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 10.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.447 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 10.1 t70 -83.19 -100.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 10.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.447 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 17.7 mtmt -135.48 6.82 3.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 10.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -142.67 15.6 1.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 10.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.475 ' HA3' ' C ' ' A' ' 38' ' ' LEU . . . 93.13 -30.05 7.53 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.514 1.134 . . . . 10.0 111.003 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.801 HG13 ' O ' ' A' ' 35' ' ' ILE . 89.7 t -42.92 107.86 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 0.769 . . . . 10.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -114.87 124.13 50.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 10.0 109.251 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.403 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 0.5 OUTLIER -110.93 150.65 28.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 10.0 109.277 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' A' ' 32' ' ' TRP . 60.8 t -130.6 159.92 42.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 10.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.404 ' N ' HG12 ' A' ' 97' ' ' VAL . 4.5 t -164.52 98.44 0.79 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 10.0 110.002 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 8.1 mt -130.31 145.93 34.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 10.0 109.294 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 52.8 tt0 -131.09 95.91 3.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 10.0 110.291 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.483 ' O ' ' HA ' ' A' ' 28' ' ' PRO . 0.2 OUTLIER -111.31 162.2 15.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 10.0 109.31 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 78.7 p -131.6 10.98 4.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 10.0 110.008 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 47.6 t -84.48 -36.27 11.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 10.0 109.264 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.692 HG13 HG21 ' A' ' 112' ' ' ILE . 0.1 OUTLIER -89.16 177.3 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 10.0 109.277 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 105' ' ' SER . . . . . 0.406 ' O ' ' O ' ' A' ' 110' ' ' HIS . 3.8 t -167.37 139.51 3.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 10.0 109.983 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.596 ' HG ' HD11 ' A' ' 112' ' ' ILE . 2.4 mp -71.63 -27.11 62.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.431 1.082 . . . . 10.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -135.49 133.96 39.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.568 1.167 . . . . 10.0 109.932 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 141.12 -85.06 0.21 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.462 1.101 . . . . 10.0 110.956 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -145.93 -46.81 0.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 0.752 . . . . 10.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' HIS . . . . . 0.406 ' O ' ' O ' ' A' ' 105' ' ' SER . 7.3 m-70 -85.19 53.43 2.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 10.0 109.605 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.41 115.83 2.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 10.0 109.986 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.692 HG21 HG13 ' A' ' 104' ' ' ILE . 19.4 pt -85.24 -25.39 6.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 10.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 2.4 mt -60.68 127.96 21.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 10.0 109.316 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 116.86 4.28 17.0 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.515 1.134 . . . . 10.0 110.969 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.454 ' HA ' HG22 ' A' ' 47' ' ' VAL . 24.2 mtt180 -84.58 116.56 23.22 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 0.775 . . . . 10.0 110.275 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.835 HG23 HG23 ' A' ' 148' ' ' VAL . 7.5 m -91.71 73.27 5.83 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.128 . . . . 10.0 110.376 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.63 ' O ' HD13 ' A' ' 117' ' ' LEU . 3.2 tm? -63.26 77.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 10.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.743 HG21 ' CB ' ' A' ' 143' ' ' ARG . 13.3 m -80.26 172.38 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 10.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.741 HG12 ' HD2' ' A' ' 45' ' ' PHE . 3.1 m -117.42 139.71 43.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 10.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 74.5 m-70 -105.09 145.22 30.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 10.0 109.619 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -39.09 -52.0 1.87 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 10.0 110.32 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 64.0 mttt -126.67 -167.83 1.78 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 10.0 109.263 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.578 ' HB2' ' N ' ' A' ' 43' ' ' HIS . . . -93.36 179.98 5.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.567 1.167 . . . . 10.0 109.326 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 -70.65 -7.82 47.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 10.0 109.331 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 62.39 25.43 15.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 10.0 109.3 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 16.5 mt 56.9 18.38 3.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 10.0 109.289 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 130' ' ' GLY . . . 89.43 -16.54 55.9 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.484 1.115 . . . . 10.0 111.009 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 3.7 tttt 48.1 31.39 2.48 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 0.757 . . . . 10.0 109.267 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 130' ' ' GLY . . . 73.34 30.93 61.84 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.496 1.122 . . . . 10.0 111.04 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 130' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 127' ' ' GLY . . . 58.52 118.73 0.01 OUTLIER Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.019 -0.832 . . . . 10.0 111.019 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 131' ' ' ASN . . . . . 0.748 ' N ' HG23 ' A' ' 135' ' ' THR . 5.3 t-20 -141.87 155.12 45.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 0.794 . . . . 10.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 131' ' ' ASN . 39.7 mt-10 -36.91 -30.66 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 10.0 110.307 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 133' ' ' GLN . . . . . 0.48 ' N ' ' O ' ' A' ' 131' ' ' ASN . 0.5 OUTLIER -86.65 -50.0 7.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 10.0 110.262 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 134' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 131' ' ' ASN . 0.3 OUTLIER -67.66 -53.84 24.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 10.0 110.021 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 135' ' ' THR . . . . . 0.748 HG23 ' N ' ' A' ' 131' ' ' ASN . 52.9 p -46.47 -23.44 0.38 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 10.0 110.371 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.719 ' HG2' HG23 ' A' ' 137' ' ' THR . 5.9 tttt -101.11 -36.17 9.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 10.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 137' ' ' THR . . . . . 0.719 HG23 ' HG2' ' A' ' 136' ' ' LYS . 81.8 p -134.76 -96.99 0.26 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 10.0 110.399 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 138' ' ' GLY . . . . . 0.438 ' N ' ' OG1' ' A' ' 137' ' ' THR . . . 178.95 36.4 0.06 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.504 1.128 . . . . 10.0 110.97 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 41.17 30.84 0.12 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.544 0.791 . . . . 10.0 109.274 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.415 ' N ' ' C ' ' A' ' 138' ' ' GLY . . . -89.24 -60.74 1.87 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 10.0 109.279 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 152.0 -86.81 0.14 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.499 1.124 . . . . 10.0 111.039 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 3.5 t -176.53 146.57 0.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 0.77 . . . . 10.0 110.023 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 143' ' ' ARG . . . . . 0.743 ' CB ' HG21 ' A' ' 118' ' ' VAL . 0.0 OUTLIER -55.46 166.87 0.56 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 10.0 110.298 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.909 HD22 ' HB2' ' A' ' 11' ' ' ASP . 52.9 mt -146.89 -108.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 10.0 109.341 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 145' ' ' ALA . . . . . 0.702 ' O ' HG12 ' A' ' 118' ' ' VAL . . . -43.23 163.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 10.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 146' ' ' CYS . . . . . 0.603 ' HA ' HG12 ' A' ' 118' ' ' VAL . 0.8 OUTLIER -136.79 70.21 1.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 10.0 108.305 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 147' ' ' GLY . . . . . 0.588 ' C ' ' HB1' ' A' ' 6' ' ' ALA . . . -73.68 62.73 1.94 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.502 1.126 . . . . 10.0 111.017 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.835 HG23 HG23 ' A' ' 116' ' ' THR . 4.0 t -65.06 133.5 30.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.505 0.768 . . . . 10.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 149' ' ' ILE . . . . . 0.632 HG23 ' HB1' ' A' ' 4' ' ' ALA . 1.3 mp -63.78 122.42 14.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 10.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -134.8 116.26 1.55 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.476 1.11 . . . . 10.0 110.989 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 151' ' ' ILE . . . . . 0.757 ' CD1' HG23 ' A' ' 2' ' ' THR . 9.8 mm -47.54 151.47 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 0.767 . . . . 10.0 109.261 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 152' ' ' ALA . . . . . 0.457 ' HB2' HG23 ' A' ' 5' ' ' VAL . . . -143.66 156.01 44.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 10.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 10.0 110.296 -179.998 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.973 HG22 HD12 ' A' ' 151' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.405 -0.22 . . . . 10.0 110.405 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.1 ttpm? -83.02 102.45 11.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 10.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.676 ' HB1' ' CG2' ' A' ' 149' ' ' ILE . . . -86.57 154.86 20.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 10.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.465 HG23 ' HB2' ' A' ' 152' ' ' ALA . 0.7 OUTLIER -127.96 147.08 32.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 10.0 109.282 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.726 ' HB2' HD13 ' A' ' 149' ' ' ILE . . . -151.88 90.35 1.53 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 10.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.766 HG23 HG12 ' A' ' 17' ' ' ILE . 10.3 p -81.65 104.84 10.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 10.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.477 HD23 ' N ' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -45.99 122.93 4.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 10.0 109.289 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.44 -46.14 70.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.562 1.164 . . . . 10.0 109.321 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.408 ' HA3' ' O ' ' A' ' 14' ' ' VAL . . . 73.16 120.03 0.07 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.496 1.123 . . . . 10.0 111.03 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -51.57 -21.99 2.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 0.729 . . . . 10.0 109.256 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 179.12 -60.39 0.08 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.485 1.115 . . . . 10.0 111.022 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -59.25 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.445 1.761 . . . . 10.0 111.044 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.921 HG11 ' HB2' ' A' ' 145' ' ' ALA . 7.4 t -45.46 150.0 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 10.0 109.29 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 175.59 54.02 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.13 . . . . 10.0 110.235 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.452 ' HA3' ' O ' ' A' ' 34' ' ' SER . . . -96.12 -169.69 34.91 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.521 1.138 . . . . 10.0 110.965 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.766 HG12 HG23 ' A' ' 7' ' ' VAL . 52.2 mt -141.08 122.1 13.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.529 0.782 . . . . 10.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.611 HD11 ' CE1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -126.92 126.22 68.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 10.0 109.295 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -113.75 159.44 19.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 10.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.96 ' CE1' HG13 ' A' ' 31' ' ' VAL . 1.5 m-85 -129.23 101.09 5.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 10.0 110.972 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 30' ' ' LYS . 12.0 tt0 -101.0 153.81 19.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 10.0 110.299 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.68 ' HG3' HG22 ' A' ' 29' ' ' VAL . 0.3 OUTLIER -148.08 62.54 1.11 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.518 1.136 . . . . 10.0 110.259 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.6 mtpt -71.49 64.56 0.43 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.125 . . . . 10.0 109.302 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -152.44 166.25 32.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 10.0 110.276 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 49.5 m -69.84 57.56 0.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 10.0 109.97 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 33.7 m-20 61.15 32.39 19.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 10.0 109.332 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -97.1 -114.14 3.14 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.512 1.133 . . . . 10.0 111.05 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.462 ' HA ' ' O ' ' A' ' 101' ' ' ASP . 18.2 Cg_endo -75.04 163.55 35.03 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.52 1.8 . . . . 10.0 110.996 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.68 HG22 ' HG3' ' A' ' 22' ' ' GLN . 58.5 t -125.49 129.77 72.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 10.0 109.33 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 21' ' ' GLU . 8.6 mttt -87.96 90.86 8.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 10.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.96 HG13 ' CE1' ' A' ' 20' ' ' PHE . 74.0 t -85.02 135.09 25.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 10.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -160.3 156.28 26.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 10.0 107.998 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.426 ' CA ' ' HA ' ' A' ' 18' ' ' ILE . . . -177.1 -171.97 41.2 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.455 1.097 . . . . 10.0 111.022 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.452 ' O ' ' HA3' ' A' ' 16' ' ' GLY . 0.6 OUTLIER -156.98 116.34 3.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 0.754 . . . . 10.0 109.998 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.505 ' HB ' ' HB3' ' A' ' 95' ' ' ALA . 0.3 OUTLIER -83.55 161.72 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 10.0 109.307 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.41 ' N ' HG23 ' A' ' 35' ' ' ILE . 13.0 mttt -151.56 92.97 1.82 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 10.0 109.31 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 150.77 -30.97 1.01 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.49 1.119 . . . . 10.0 111.012 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.819 HD13 ' CD2' ' A' ' 43' ' ' HIS . 8.6 mt -54.72 -167.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 0.749 . . . . 10.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.416 ' O ' ' C ' ' A' ' 40' ' ' GLU . 2.8 p -140.64 126.31 19.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 10.0 110.408 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.651 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 0.9 OUTLIER -37.77 103.36 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 10.0 110.27 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 157.3 170.88 22.69 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.513 1.133 . . . . 10.0 110.996 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.23 160.83 3.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 0.765 . . . . 10.0 109.239 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.819 ' CD2' HD13 ' A' ' 38' ' ' LEU . 76.4 m-70 -149.74 167.58 26.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 10.0 109.649 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.21 178.89 43.52 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.529 1.143 . . . . 10.0 111.021 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.419 ' HB2' ' NE2' ' A' ' 120' ' ' HIS . 39.2 m-85 -55.2 175.75 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 0.78 . . . . 10.0 110.992 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.69 ' CD2' HD12 ' A' ' 117' ' ' LEU . 0.0 OUTLIER -145.18 60.16 1.3 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 10.0 109.552 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 83.0 t -147.59 152.0 13.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 10.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 10.0 109.596 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.02 -0.832 . . . . 10.0 111.02 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -50.84 143.73 9.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 0.748 . . . . 10.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.432 HD22 ' HA ' ' A' ' 84' ' ' LEU . 0.4 OUTLIER -162.03 -60.3 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 10.0 109.281 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 168.06 -136.44 4.1 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.465 1.103 . . . . 10.0 110.963 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 16.2 m-20 -138.66 136.79 36.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 0.753 . . . . 10.0 109.353 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.484 HG23 ' HB2' ' A' ' 43' ' ' HIS . 4.4 m -104.36 153.44 6.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 10.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.5 m -131.22 149.98 52.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 10.0 110.398 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.651 ' HB3' ' HA ' ' A' ' 40' ' ' GLU . . . -85.57 166.67 16.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 10.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.45 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 7.6 t0 -68.44 -95.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.094 . . . . 10.0 109.258 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.509 ' CG ' ' O ' ' A' ' 91' ' ' LYS . 28.6 tttt -141.13 14.07 2.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 10.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -158.95 25.68 0.21 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 10.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.57 ' C ' ' HB1' ' A' ' 89' ' ' ALA . . . 94.19 -38.59 3.1 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.504 1.128 . . . . 10.0 111.023 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.464 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 47.7 t -46.12 103.52 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.521 0.777 . . . . 10.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.505 ' HB3' ' HB ' ' A' ' 35' ' ' ILE . . . -103.95 114.66 29.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 10.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.424 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 1.1 p30 -108.08 150.89 26.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 10.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.487 ' CG1' HD12 ' A' ' 99' ' ' ILE . 42.1 t -123.78 159.72 28.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 10.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 11.8 p -178.77 79.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 10.0 110.0 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.487 HD12 ' CG1' ' A' ' 97' ' ' VAL . 3.0 mp -137.31 165.21 27.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 10.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.45 ' N ' HG22 ' A' ' 99' ' ' ILE . 1.1 tt0 -127.38 106.16 9.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 10.0 110.308 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.55 ' HB2' HD11 ' A' ' 104' ' ' ILE . 25.6 m-20 -84.25 114.44 21.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 10.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 86.7 p -98.36 50.12 1.0 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 10.0 110.018 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 77.0 t -144.26 -46.14 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 10.0 109.32 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.669 HG22 ' ND1' ' A' ' 110' ' ' HIS . 1.0 OUTLIER -92.74 -179.11 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 10.0 109.292 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 105' ' ' SER . . . . . 0.525 ' C ' HD23 ' A' ' 106' ' ' LEU . 97.2 p -178.71 -175.38 0.41 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 10.0 110.004 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.923 HD13 HD11 ' A' ' 113' ' ' ILE . 0.1 OUTLIER -109.48 27.64 9.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 10.0 109.332 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.12 179.99 5.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 10.0 109.955 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -78.52 76.03 1.9 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.5 1.125 . . . . 10.0 110.993 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 176.79 -56.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 0.776 . . . . 10.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' HIS . . . . . 0.669 ' ND1' HG22 ' A' ' 104' ' ' ILE . 20.8 m-70 -90.22 -55.75 3.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 10.0 109.617 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 58.4 p 41.66 88.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 10.0 109.992 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.491 HD13 HD13 ' A' ' 104' ' ' ILE . 29.4 pt -96.14 1.32 10.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 10.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.923 HD11 HD13 ' A' ' 106' ' ' LEU . 7.9 mm -67.38 72.05 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 10.0 109.277 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 112' ' ' ILE . . . 172.32 39.07 0.03 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.491 1.119 . . . . 10.0 110.969 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.467 ' O ' ' CD2' ' A' ' 117' ' ' LEU . 0.2 OUTLIER -86.06 104.67 15.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 0.766 . . . . 10.0 110.3 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.712 HG23 HG23 ' A' ' 148' ' ' VAL . 7.7 m -78.72 79.38 5.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 10.0 110.434 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.69 HD12 ' CD2' ' A' ' 46' ' ' HIS . 3.1 mm? -61.81 91.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.113 . . . . 10.0 109.271 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.874 HG12 ' HA ' ' A' ' 146' ' ' CYS . 5.2 m -125.98 78.22 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 10.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 13.8 m -41.63 137.81 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.113 . . . . 10.0 109.284 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' HIS . . . . . 0.582 ' CD2' ' O ' ' A' ' 140' ' ' ALA . 6.6 m-70 -85.12 177.92 7.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 10.0 109.582 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -119.11 62.04 0.8 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.09 . . . . 10.0 110.307 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.425 ' CB ' ' HA ' ' A' ' 140' ' ' ALA . 0.9 OUTLIER 173.31 168.99 0.16 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.121 . . . . 10.0 109.316 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.715 ' O ' ' HB2' ' A' ' 140' ' ' ALA . . . -74.16 -141.71 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 10.0 109.299 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -158.83 91.21 1.04 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 10.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.3 -21.49 59.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 10.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 10.0 mt 57.8 18.0 4.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.115 . . . . 10.0 109.277 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -142.44 -129.66 2.4 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.452 1.095 . . . . 10.0 111.021 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.581 ' HB2' HG22 ' A' ' 135' ' ' THR . 1.4 tttt -131.68 89.76 2.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 0.775 . . . . 10.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -85.82 16.47 41.54 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.496 1.122 . . . . 10.0 110.963 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 175.2 -148.18 9.39 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 111.004 -0.838 . . . . 10.0 111.004 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 65.3 m-80 -144.7 140.22 28.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 0.778 . . . . 10.0 109.282 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 50.22 21.79 0.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 10.0 110.337 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -132.22 -72.26 0.53 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 10.0 110.271 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 134' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 138' ' ' GLY . 0.7 OUTLIER -85.03 -20.93 29.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 10.0 109.973 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 135' ' ' THR . . . . . 0.581 HG22 ' HB2' ' A' ' 128' ' ' LYS . 28.1 p -72.72 -3.4 24.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.102 . . . . 10.0 110.39 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 3.1 pttt -114.87 -40.89 3.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 10.0 109.314 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 137' ' ' THR . . . . . 0.446 ' CG2' ' N ' ' A' ' 138' ' ' GLY . 2.6 t -99.91 -48.37 4.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 10.0 110.386 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 138' ' ' GLY . . . . . 0.46 ' O ' ' CB ' ' A' ' 139' ' ' ASN . . . 118.83 16.46 5.4 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.486 1.117 . . . . 10.0 110.987 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 139' ' ' ASN . . . . . 0.597 ' O ' ' HB2' ' A' ' 140' ' ' ALA . 6.6 t-20 78.98 55.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 0.772 . . . . 10.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.715 ' HB2' ' O ' ' A' ' 123' ' ' ALA . . . 169.98 48.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 10.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -104.49 71.92 0.25 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.476 1.11 . . . . 10.0 111.025 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -142.0 81.8 1.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 0.751 . . . . 10.0 110.029 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 143' ' ' ARG . . . . . 0.43 ' NH1' ' HB2' ' A' ' 143' ' ' ARG . 3.5 mtp-105 -52.84 143.65 16.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 10.0 110.236 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 12.8 mt -130.04 -66.63 0.78 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 10.0 109.279 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 145' ' ' ALA . . . . . 0.921 ' HB2' HG11 ' A' ' 14' ' ' VAL . . . -87.52 173.76 8.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 10.0 109.332 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 146' ' ' CYS . . . . . 0.874 ' HA ' HG12 ' A' ' 118' ' ' VAL . 56.2 m -156.53 68.72 0.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.143 . . . . 10.0 108.301 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 147' ' ' GLY . . . . . 0.615 ' O ' ' HB1' ' A' ' 6' ' ' ALA . . . -108.02 80.23 0.27 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.419 1.075 . . . . 10.0 110.992 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.712 HG23 HG23 ' A' ' 116' ' ' THR . 2.8 t -70.11 159.76 5.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 0.766 . . . . 10.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 149' ' ' ILE . . . . . 0.726 HD13 ' HB2' ' A' ' 6' ' ' ALA . 26.3 mm -74.89 147.58 8.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 10.0 109.342 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 150' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 151' ' ' ILE . . . -157.03 100.85 0.2 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.481 1.113 . . . . 10.0 110.992 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 151' ' ' ILE . . . . . 0.973 HD12 HG22 ' A' ' 2' ' ' THR . 8.9 mm -37.62 143.1 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.435 0.726 . . . . 10.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 152' ' ' ALA . . . . . 0.465 ' HB2' HG23 ' A' ' 5' ' ' VAL . . . -135.9 173.48 11.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 10.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 10.0 110.266 179.998 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.9 m . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.392 -0.225 . . . . 10.0 110.392 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.441 ' HA ' ' O ' ' A' ' 20' ' ' PHE . 6.7 ttmt -109.38 141.4 41.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 10.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.729 ' HB3' ' HB2' ' A' ' 20' ' ' PHE . . . -128.26 162.45 26.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 10.0 109.268 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.702 ' CG2' ' HB2' ' A' ' 152' ' ' ALA . 0.1 OUTLIER -147.13 149.73 15.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 10.0 109.28 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.759 ' HB3' HG23 ' A' ' 18' ' ' ILE . . . -143.59 101.35 3.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 10.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.689 ' O ' HG13 ' A' ' 7' ' ' VAL . 8.6 p -83.44 90.0 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 10.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.694 HD11 ' O ' ' A' ' 117' ' ' LEU . 4.4 mm? -39.8 140.19 0.55 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 10.0 109.265 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.421 ' H ' ' HB1' ' A' ' 145' ' ' ALA . 0.0 OUTLIER -176.93 121.74 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 10.0 109.305 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -171.08 -83.28 0.05 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.484 1.115 . . . . 10.0 111.039 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -50.97 -56.64 11.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 0.762 . . . . 10.0 109.257 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 149.81 -56.6 0.47 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.575 1.172 . . . . 10.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -25.07 12.22 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.45 1.763 . . . . 10.0 111.049 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.424 HG12 ' HB2' ' A' ' 145' ' ' ALA . 2.7 t -81.8 104.12 9.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 10.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.684 ' OE1' HG22 ' A' ' 7' ' ' VAL . 0.0 OUTLIER -129.41 39.28 3.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 10.0 110.302 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.505 ' N ' ' HB2' ' A' ' 8' ' ' LEU . . . -51.5 167.28 0.68 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.557 1.16 . . . . 10.0 111.053 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.414 HG13 ' C ' ' A' ' 16' ' ' GLY . 63.6 mt -142.72 106.69 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.506 0.768 . . . . 10.0 109.359 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.982 HD12 ' N ' ' A' ' 19' ' ' ASN . 0.1 OUTLIER -114.18 135.54 53.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 10.0 109.324 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.982 ' N ' HD12 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -129.82 144.82 51.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.118 . . . . 10.0 109.316 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.765 ' CE1' HG13 ' A' ' 31' ' ' VAL . 2.9 m-30 -112.51 130.7 55.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 10.0 111.023 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.421 ' O ' ' HA ' ' A' ' 29' ' ' VAL . 0.5 OUTLIER -113.12 127.35 56.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 10.0 110.315 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.876 ' CD ' HG22 ' A' ' 29' ' ' VAL . 6.4 tp60 -155.07 61.0 0.65 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 10.0 110.285 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.6 mtmt -78.89 60.86 2.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.431 1.082 . . . . 10.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.476 ' O ' ' CB ' ' A' ' 25' ' ' SER . 0.2 OUTLIER -155.56 -44.63 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 10.0 110.313 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.476 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 2.0 t 83.99 -1.89 1.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 10.0 109.988 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 13.3 p-10 -163.98 29.74 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 10.0 109.27 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.427 ' O ' ' NE2' ' A' ' 22' ' ' GLN . . . -125.27 -163.06 11.52 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.478 1.111 . . . . 10.0 111.005 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.476 ' HA ' ' O ' ' A' ' 101' ' ' ASP . 18.2 Cg_endo -75.02 132.9 15.92 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.509 1.794 . . . . 10.0 111.017 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.876 HG22 ' CD ' ' A' ' 22' ' ' GLN . 28.8 t -91.87 87.5 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.425 1.078 . . . . 10.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.596 ' O ' ' CE3' ' A' ' 32' ' ' TRP . 48.2 mttt -60.72 87.63 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 10.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.765 HG13 ' CE1' ' A' ' 20' ' ' PHE . 66.9 t -89.76 138.48 19.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 10.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.596 ' CE3' ' O ' ' A' ' 30' ' ' LYS . 14.1 p90 -167.89 142.34 3.57 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.974 -1.121 . . . . 10.0 107.974 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.429 ' O ' ' HA ' ' A' ' 96' ' ' ASP . . . -151.78 -169.78 17.72 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.445 1.091 . . . . 10.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.4 m -157.51 122.13 4.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 0.761 . . . . 10.0 109.984 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.798 HG21 HD13 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -84.3 167.01 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 10.0 109.291 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.53 ' N ' HG23 ' A' ' 35' ' ' ILE . 22.8 mttt -156.21 114.64 3.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 10.0 109.263 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.452 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 129.03 -42.35 1.44 Allowed Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.488 1.118 . . . . 10.0 110.996 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 1.119 HD11 HG21 ' A' ' 119' ' ' VAL . 0.6 OUTLIER -53.33 -169.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 0.805 . . . . 10.0 109.293 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.5 p -141.71 147.6 37.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 10.0 110.429 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.636 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 1.4 tt0 -42.93 104.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 10.0 110.289 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.614 ' O ' ' CE1' ' A' ' 43' ' ' HIS . . . 165.21 -178.1 40.35 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.5 1.125 . . . . 10.0 111.002 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.581 ' N ' HD12 ' A' ' 42' ' ' LEU . 4.5 mp -89.01 131.63 35.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 0.77 . . . . 10.0 109.33 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.904 ' CD2' HD22 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -107.66 150.5 26.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 10.0 109.599 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.477 ' HA3' ' CG ' ' A' ' 120' ' ' HIS . . . -42.07 162.5 0.03 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.511 1.132 . . . . 10.0 110.988 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.614 ' O ' ' CD2' ' A' ' 48' ' ' HIS . 5.5 m-85 -78.14 128.28 33.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 0.759 . . . . 10.0 110.996 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.524 ' ND1' HD22 ' A' ' 117' ' ' LEU . 0.4 OUTLIER -64.5 175.33 1.41 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 10.0 109.583 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.482 HG23 ' CG ' ' A' ' 46' ' ' HIS . 24.6 t 69.53 59.44 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 10.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.614 ' CD2' ' O ' ' A' ' 45' ' ' PHE . 8.1 m-70 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 10.0 109.564 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 110.999 -0.84 . . . . 10.0 110.999 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -47.7 128.25 12.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 0.747 . . . . 10.0 109.309 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 9.2 tt -131.01 -51.55 1.04 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 10.0 109.3 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.543 ' HA2' ' CE2' ' A' ' 45' ' ' PHE . . . 170.92 160.91 20.61 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.495 1.122 . . . . 10.0 110.984 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.606 ' OD1' ' CD1' ' A' ' 45' ' ' PHE . 2.1 m-20 -86.09 150.53 24.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.53 0.782 . . . . 10.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.695 HG11 HD11 ' A' ' 117' ' ' LEU . 1.1 m -110.61 134.0 54.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 10.0 109.26 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.407 ' HA ' ' O ' ' A' ' 41' ' ' GLY . 90.2 m -107.5 147.58 30.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 10.0 110.379 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.636 ' HB3' ' HA ' ' A' ' 40' ' ' GLU . . . -86.56 175.63 8.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 10.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.441 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 11.6 t0 -83.69 -96.69 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 10.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.441 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 10.8 ptmt -135.33 8.53 3.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 10.0 109.263 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -157.5 25.43 0.29 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 10.0 109.308 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.611 ' CA ' ' HB1' ' A' ' 89' ' ' ALA . . . 97.05 -42.24 2.2 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.467 1.105 . . . . 10.0 110.958 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.432 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 21.6 t -39.27 98.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.471 0.748 . . . . 10.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.593 ' HB3' ' HB ' ' A' ' 35' ' ' ILE . . . -101.49 113.14 25.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 10.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.429 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 1.1 t70 -111.61 144.4 40.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 10.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.443 HG12 ' N ' ' A' ' 98' ' ' SER . 44.0 t -120.83 162.81 19.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.55 1.156 . . . . 10.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.443 ' N ' HG12 ' A' ' 97' ' ' VAL . 1.1 t -167.97 95.9 0.42 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 10.0 110.036 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 4.2 mt -125.86 143.26 39.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 10.0 109.322 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -125.4 86.63 2.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 10.0 110.275 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.476 ' O ' ' HA ' ' A' ' 28' ' ' PRO . 0.1 OUTLIER -106.9 137.69 44.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 10.0 109.288 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 77.0 p -116.77 31.92 6.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 10.0 110.044 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 98.2 t -106.09 -50.06 8.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 10.0 109.299 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.837 HG13 HG21 ' A' ' 112' ' ' ILE . 0.2 OUTLIER -68.89 -176.67 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 10.0 109.28 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 105' ' ' SER . . . . . 0.416 ' O ' ' N ' ' A' ' 111' ' ' SER . 0.9 OUTLIER -175.61 152.33 1.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 10.0 110.003 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.464 ' CD1' ' HG2' ' A' ' 22' ' ' GLN . 1.8 mp -89.99 7.23 38.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 10.0 109.342 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -93.76 -179.17 4.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 10.0 109.996 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -72.95 80.05 0.71 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.486 1.116 . . . . 10.0 110.982 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -167.9 -58.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 0.754 . . . . 10.0 109.325 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 48.2 m80 -112.57 -42.13 3.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 10.0 109.616 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.416 ' N ' ' O ' ' A' ' 105' ' ' SER . 37.2 t 45.89 93.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 10.0 109.992 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.837 HG21 HG13 ' A' ' 104' ' ' ILE . 30.6 pt -84.87 -19.8 8.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.426 1.079 . . . . 10.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.484 HD13 HG22 ' A' ' 149' ' ' ILE . 11.1 mm -54.81 129.7 16.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 10.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 121.03 2.04 11.25 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.508 1.13 . . . . 10.0 111.044 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.422 ' NH1' ' HA ' ' A' ' 112' ' ' ILE . 0.1 OUTLIER -93.32 136.04 33.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 0.751 . . . . 10.0 110.303 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.448 ' HB ' ' CG2' ' A' ' 148' ' ' VAL . 3.6 t -129.85 131.82 46.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 10.0 110.398 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.695 HD11 HG11 ' A' ' 87' ' ' VAL . 0.1 OUTLIER -83.72 77.98 9.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 10.0 109.327 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.603 HG21 ' HG2' ' A' ' 143' ' ' ARG . 2.9 p -99.77 126.08 53.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.12 . . . . 10.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 1.119 HG21 HD11 ' A' ' 38' ' ' LEU . 18.2 m -102.54 151.82 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 10.0 109.362 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' HIS . . . . . 0.477 ' CG ' ' HA3' ' A' ' 44' ' ' GLY . 28.7 m170 -86.43 170.61 11.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 10.0 109.616 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.408 ' HB2' ' CB ' ' A' ' 142' ' ' SER . 0.0 OUTLIER -69.73 -15.92 63.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.576 1.172 . . . . 10.0 110.288 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.504 ' HB2' ' HB1' ' A' ' 140' ' ' ALA . 1.7 tttt -138.72 -157.77 0.8 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 10.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -85.32 -159.71 0.46 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 10.0 109.317 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.422 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 0.2 OUTLIER -162.37 97.59 1.0 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 10.0 109.302 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 125' ' ' ASP . . . . . 0.466 ' O ' ' N ' ' A' ' 127' ' ' GLY . 0.7 OUTLIER -130.61 101.16 5.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.132 . . . . 10.0 109.295 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.5 mp -68.94 54.1 0.09 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.453 1.096 . . . . 10.0 109.308 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 125' ' ' ASP . . . 171.95 71.06 0.04 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.535 1.147 . . . . 10.0 110.977 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -111.74 -30.42 7.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 0.756 . . . . 10.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 156.79 -41.2 0.55 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.535 1.147 . . . . 10.0 110.981 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -104.41 119.72 6.37 Favored Glycine 0 CA--C 1.529 0.967 0 N-CA-C 111.004 -0.838 . . . . 10.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' ASN . . . . . 0.495 ' O ' ' CB ' ' A' ' 132' ' ' GLU . 2.0 p-10 -100.82 107.5 19.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 0.754 . . . . 10.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.495 ' CB ' ' O ' ' A' ' 131' ' ' ASN . 10.8 tt0 161.05 -27.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 10.0 110.296 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -116.03 -34.45 4.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 10.0 110.32 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 9.4 p -96.45 -3.78 42.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 10.0 110.017 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -88.12 -25.17 23.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 10.0 110.42 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 9.5 pttt -103.12 -33.68 9.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 10.0 109.348 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 70.2 p -129.48 -91.78 0.46 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 10.0 110.409 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 171.97 40.71 0.04 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.525 1.141 . . . . 10.0 110.993 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 49.7 t30 52.6 22.46 2.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 0.758 . . . . 10.0 109.336 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.504 ' HB1' ' HB2' ' A' ' 122' ' ' LYS . . . -169.87 68.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 10.0 109.295 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -95.52 88.71 1.1 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.549 1.156 . . . . 10.0 110.971 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 142' ' ' SER . . . . . 0.408 ' CB ' ' HB2' ' A' ' 121' ' ' GLU . 0.3 OUTLIER -134.95 84.94 2.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 0.742 . . . . 10.0 110.025 179.943 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 143' ' ' ARG . . . . . 0.603 ' HG2' HG21 ' A' ' 118' ' ' VAL . 1.1 tmm_? -38.11 154.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 10.0 110.255 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.823 HD12 HG23 ' A' ' 119' ' ' VAL . 63.7 mt -130.4 -105.3 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 10.0 109.33 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 145' ' ' ALA . . . . . 0.617 ' HB3' HD12 ' A' ' 8' ' ' LEU . . . -87.49 175.21 8.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 10.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 7.6 p -148.35 70.27 1.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 10.0 108.329 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 147' ' ' GLY . . . . . 0.688 ' C ' ' HB1' ' A' ' 6' ' ' ALA . . . -70.61 63.86 0.85 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.497 1.123 . . . . 10.0 110.968 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.448 ' CG2' ' HB ' ' A' ' 116' ' ' THR . 2.3 t -58.97 115.45 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 0.769 . . . . 10.0 109.288 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 149' ' ' ILE . . . . . 0.564 HG12 ' CE1' ' A' ' 20' ' ' PHE . 1.7 mp -60.97 115.38 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 10.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -127.56 131.7 7.22 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.53 1.144 . . . . 10.0 111.029 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 17.9 mm -40.7 148.2 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 0.753 . . . . 10.0 109.257 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 152' ' ' ALA . . . . . 0.702 ' HB2' ' CG2' ' A' ' 5' ' ' VAL . . . -104.12 174.84 5.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 10.0 109.254 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 10.0 110.262 -179.953 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' THR . . . . . 1.05 HG21 HD12 ' A' ' 151' ' ' ILE . 2.0 m . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.382 -0.229 . . . . 10.0 110.382 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.458 ' CG ' ' O ' ' A' ' 20' ' ' PHE . 20.1 ttpt -140.08 110.67 6.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 10.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.914 ' HB3' ' HB2' ' A' ' 20' ' ' PHE . . . -84.22 168.44 15.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 10.0 109.32 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.491 HG23 ' CB ' ' A' ' 152' ' ' ALA . 2.3 t -143.22 159.48 17.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 10.0 109.272 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.703 ' HB3' HG23 ' A' ' 18' ' ' ILE . . . -152.68 92.29 1.65 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 10.0 109.336 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.2 m -84.21 95.91 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 10.0 109.31 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.798 HD13 ' H ' ' A' ' 147' ' ' GLY . 4.6 mm? -41.62 140.25 0.99 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 10.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.63 -67.1 0.76 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.164 . . . . 10.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 64.76 115.52 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.511 1.132 . . . . 10.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.2 -19.81 3.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 0.781 . . . . 10.0 109.261 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.517 ' N ' ' CD ' ' A' ' 13' ' ' PRO . . . 161.9 -49.53 0.34 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.483 1.115 . . . . 10.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.517 ' CD ' ' N ' ' A' ' 12' ' ' GLY . 18.2 Cg_endo -75.04 7.49 2.86 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.497 1.788 . . . . 10.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.472 HG11 ' HB2' ' A' ' 145' ' ' ALA . 2.7 t -140.12 152.92 22.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 10.0 109.299 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 176.84 54.72 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.105 . . . . 10.0 110.334 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.488 ' CA ' ' HA ' ' A' ' 35' ' ' ILE . . . -74.43 171.97 52.62 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.54 1.15 . . . . 10.0 111.002 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.434 HG13 ' C ' ' A' ' 16' ' ' GLY . 63.6 mt -142.84 105.1 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.456 0.739 . . . . 10.0 109.271 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 1.029 HD12 ' N ' ' A' ' 19' ' ' ASN . 0.1 OUTLIER -109.29 134.29 51.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 10.0 109.282 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 1.029 ' N ' HD12 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -122.22 143.6 49.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 10.0 109.283 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.914 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 2.2 m-85 -108.77 134.86 50.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 10.0 111.022 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.511 ' HB2' ' CH2' ' A' ' 32' ' ' TRP . 0.0 OUTLIER -128.55 125.62 38.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 10.0 110.319 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.643 ' HB2' HG22 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -141.0 86.18 2.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 10.0 110.325 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.2 mtpt -86.73 45.5 1.26 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 10.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.42 ' HB3' ' N ' ' A' ' 27' ' ' GLY . 0.8 OUTLIER -155.7 137.44 14.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 10.0 110.3 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -78.78 -11.59 59.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 10.0 109.962 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -155.56 32.63 0.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 10.0 109.327 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.42 ' N ' ' HB3' ' A' ' 24' ' ' GLU . . . -111.23 -167.94 18.75 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.5 1.125 . . . . 10.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.46 ' HA ' ' O ' ' A' ' 101' ' ' ASP . 18.4 Cg_endo -75.06 -174.75 2.06 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.444 1.76 . . . . 10.0 110.975 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.827 ' O ' HG23 ' A' ' 31' ' ' VAL . 85.3 t -134.97 92.2 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 10.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.506 ' O ' ' CZ3' ' A' ' 32' ' ' TRP . 16.4 mtpt -53.89 94.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 10.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.827 HG23 ' O ' ' A' ' 29' ' ' VAL . 90.4 t -96.07 129.12 46.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 10.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.511 ' CH2' ' HB2' ' A' ' 21' ' ' GLU . 17.3 p90 -161.36 141.36 10.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 10.0 108.021 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -152.32 -167.76 15.68 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.513 1.133 . . . . 10.0 110.979 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 60.3 p -156.56 121.13 4.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 0.792 . . . . 10.0 110.02 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.957 HG21 HD12 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -84.51 165.12 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 10.0 109.318 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.476 ' N ' ' CG2' ' A' ' 35' ' ' ILE . 66.3 mttt -154.46 118.78 4.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 10.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 122.7 -30.77 5.01 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.498 1.124 . . . . 10.0 110.982 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.957 HD12 HG21 ' A' ' 35' ' ' ILE . 3.0 mt -55.36 -166.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 0.731 . . . . 10.0 109.268 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.7 p -137.1 145.34 43.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.456 1.098 . . . . 10.0 110.423 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.703 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 5.1 tm-20 -53.68 96.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 10.0 110.294 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.453 ' O ' ' NE2' ' A' ' 43' ' ' HIS . . . -175.27 176.97 47.33 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.527 1.142 . . . . 10.0 110.965 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.8 HD23 ' OG1' ' A' ' 88' ' ' THR . 1.8 mt -92.62 128.4 38.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 0.781 . . . . 10.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.522 ' C ' ' HB2' ' A' ' 123' ' ' ALA . 0.0 OUTLIER -125.61 150.86 47.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 10.0 109.57 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.78 -163.67 0.04 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.476 1.11 . . . . 10.0 110.979 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.596 ' CD2' ' HA ' ' A' ' 83' ' ' ASP . 1.2 t80 -94.55 175.0 6.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 0.775 . . . . 10.0 111.016 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.417 ' C ' HG23 ' A' ' 47' ' ' VAL . 0.0 OUTLIER -120.91 73.55 1.03 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 10.0 109.588 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.465 HG23 ' CD2' ' A' ' 45' ' ' PHE . 21.7 t -152.44 88.05 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 10.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.611 ' CE1' ' NE2' ' A' ' 120' ' ' HIS . 3.0 m-70 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 10.0 109.588 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 110.993 -0.843 . . . . 10.0 110.993 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.596 ' HA ' ' CD2' ' A' ' 45' ' ' PHE . 3.8 m-20 -116.29 146.34 42.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 0.752 . . . . 10.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.2 tp -82.24 -53.62 5.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 10.0 109.25 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -169.9 -133.16 1.55 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.499 1.124 . . . . 10.0 110.972 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 -126.6 143.35 51.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.435 0.727 . . . . 10.0 109.341 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -99.18 178.89 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 10.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.8 ' OG1' HD23 ' A' ' 42' ' ' LEU . 87.4 m -154.81 147.88 24.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 10.0 110.45 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.703 ' HB3' ' HA ' ' A' ' 40' ' ' GLU . . . -86.68 174.7 8.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 10.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.445 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 12.4 t0 -87.36 -97.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 10.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.445 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 39.9 pttt -137.31 10.09 2.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.086 . . . . 10.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -148.34 19.26 1.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 10.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.493 ' CA ' ' HB1' ' A' ' 89' ' ' ALA . . . 89.84 -27.73 7.83 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.483 1.114 . . . . 10.0 110.989 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.477 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 40.0 t -47.1 107.13 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.489 0.758 . . . . 10.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -113.05 117.3 31.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 10.0 109.289 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -111.89 147.27 36.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 10.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.466 HG12 ' N ' ' A' ' 98' ' ' SER . 93.3 t -121.94 163.36 20.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 10.0 109.317 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.466 ' N ' HG12 ' A' ' 97' ' ' VAL . 22.7 t -169.0 97.32 0.36 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 10.0 109.984 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.408 HG22 ' N ' ' A' ' 100' ' ' GLU . 3.4 mt -130.65 160.54 41.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 10.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.408 ' N ' HG22 ' A' ' 99' ' ' ILE . 3.9 mt-10 -127.29 88.05 2.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 10.0 110.28 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.46 ' O ' ' HA ' ' A' ' 28' ' ' PRO . 8.8 m-20 -87.89 117.86 27.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 10.0 109.266 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.434 ' CA ' ' HB3' ' A' ' 28' ' ' PRO . 1.1 p -111.18 21.33 16.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 10.0 110.018 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -110.79 -23.21 4.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 10.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.939 HD13 HD13 ' A' ' 112' ' ' ILE . 1.6 pp -107.48 179.5 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 10.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' SER . . . . . 0.496 ' N ' HD12 ' A' ' 104' ' ' ILE . 3.1 m -177.37 179.5 0.95 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 10.0 109.982 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.6 HD22 HD11 ' A' ' 113' ' ' ILE . 0.4 OUTLIER -93.89 38.03 1.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 10.0 109.258 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 111' ' ' SER . 0.4 OUTLIER -122.43 148.74 44.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 10.0 109.999 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.596 ' O ' ' CB ' ' A' ' 109' ' ' ASP . . . -46.29 147.62 2.62 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.531 1.144 . . . . 10.0 111.021 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.596 ' CB ' ' O ' ' A' ' 108' ' ' GLY . 18.6 t0 89.98 -37.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 0.768 . . . . 10.0 109.329 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' HIS . . . . . 0.407 ' O ' HG23 ' A' ' 112' ' ' ILE . 57.3 m80 -124.51 3.09 8.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 10.0 109.617 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 107' ' ' SER . 79.2 p -38.13 114.16 0.34 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 10.0 109.984 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.939 HD13 HD13 ' A' ' 104' ' ' ILE . 34.9 pt -95.22 -32.03 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 10.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.6 HD11 HD22 ' A' ' 106' ' ' LEU . 31.0 mm -41.82 117.21 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.1 . . . . 10.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 116.6 27.82 2.7 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.451 1.095 . . . . 10.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.693 ' HB2' HD13 ' A' ' 149' ' ' ILE . 5.5 mmt180 -86.8 66.77 9.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 0.737 . . . . 10.0 110.302 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.579 ' OG1' HG22 ' A' ' 148' ' ' VAL . 55.3 m -41.94 94.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.441 1.088 . . . . 10.0 110.351 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.468 ' N ' ' O ' ' A' ' 115' ' ' ARG . 0.2 OUTLIER -70.4 111.54 6.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 10.0 109.293 179.952 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 145' ' ' ALA . 7.6 p -138.15 117.28 14.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 10.0 109.28 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 5.4 m -67.82 145.4 13.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 10.0 109.323 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' HIS . . . . . 0.611 ' NE2' ' CE1' ' A' ' 48' ' ' HIS . 0.4 OUTLIER -84.48 137.54 33.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 10.0 109.549 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -43.95 -35.88 2.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 10.0 110.255 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 7.9 tttt -164.42 145.19 8.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 10.0 109.284 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.522 ' HB2' ' C ' ' A' ' 43' ' ' HIS . . . -73.56 -175.89 2.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 10.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.402 ' CG ' ' O ' ' A' ' 124' ' ' ASP . 34.8 t0 -93.09 24.98 3.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 10.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 50.68 34.22 9.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 10.0 109.28 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 17.9 mt 57.12 19.8 5.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 10.0 109.333 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 121.73 115.49 2.35 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.519 1.137 . . . . 10.0 111.01 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 2.4 pttp -110.49 -29.73 7.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 0.768 . . . . 10.0 109.33 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 130.4 -52.3 0.83 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.508 1.13 . . . . 10.0 110.973 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -38.27 152.36 0.03 OUTLIER Glycine 0 CA--C 1.529 0.964 0 N-CA-C 111.003 -0.839 . . . . 10.0 111.003 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 131' ' ' ASN . . . . . 0.498 ' O ' ' CB ' ' A' ' 132' ' ' GLU . 84.8 m-20 -133.02 130.85 39.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 0.768 . . . . 10.0 109.29 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.498 ' CB ' ' O ' ' A' ' 131' ' ' ASN . 0.0 OUTLIER 86.35 18.78 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 10.0 110.294 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -139.97 -72.56 0.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 10.0 110.3 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 83.9 p -82.52 -15.87 50.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 10.0 110.01 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 17.3 p -68.71 -21.0 64.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 10.0 110.381 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -109.07 -32.9 7.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 10.0 109.259 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 137' ' ' THR . . . . . 0.401 ' OG1' ' N ' ' A' ' 138' ' ' GLY . 81.6 p -121.94 -99.75 0.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 10.0 110.383 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 138' ' ' GLY . . . . . 0.401 ' N ' ' OG1' ' A' ' 137' ' ' THR . . . 174.58 38.98 0.04 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.52 1.138 . . . . 10.0 110.98 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 50.21 25.43 1.79 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 0.76 . . . . 10.0 109.356 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 141' ' ' GLY . . . -120.77 -57.98 1.85 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.486 1.116 . . . . 10.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 141' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 140' ' ' ALA . . . 36.79 91.97 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.477 1.111 . . . . 10.0 110.971 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -167.81 114.91 0.73 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 0.773 . . . . 10.0 109.976 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.4 mpt_? -84.19 141.36 31.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.097 . . . . 10.0 110.287 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.4 mp -125.64 -59.24 1.37 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 10.0 109.266 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 145' ' ' ALA . . . . . 0.472 ' HB2' HG11 ' A' ' 14' ' ' VAL . . . -110.74 170.51 8.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 10.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -155.87 69.95 0.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.578 1.174 . . . . 10.0 108.281 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 147' ' ' GLY . . . . . 0.798 ' H ' HD13 ' A' ' 8' ' ' LEU . . . -49.55 -48.91 34.4 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.51 1.131 . . . . 10.0 110.968 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.579 HG22 ' OG1' ' A' ' 116' ' ' THR . 3.6 t 65.12 126.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.476 0.75 . . . . 10.0 109.312 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 149' ' ' ILE . . . . . 0.767 ' N ' HD12 ' A' ' 149' ' ' ILE . 2.1 mp -89.22 118.7 35.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 10.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -132.45 127.53 4.89 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.558 1.161 . . . . 10.0 111.005 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 151' ' ' ILE . . . . . 1.05 HD12 HG21 ' A' ' 2' ' ' THR . 20.2 mm -42.33 143.34 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.522 0.777 . . . . 10.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 152' ' ' ALA . . . . . 0.491 ' CB ' HG23 ' A' ' 5' ' ' VAL . . . -142.56 164.58 29.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 10.0 109.301 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 10.0 110.298 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.576 HG23 ' CD1' ' A' ' 151' ' ' ILE . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.394 -0.225 . . . . 10.0 110.394 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -108.98 106.72 16.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.113 . . . . 10.0 109.247 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 1.124 ' HB1' HG23 ' A' ' 149' ' ' ILE . . . -87.32 150.73 23.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 10.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.0 t -129.18 150.49 34.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 10.0 109.287 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.619 ' HB3' HG23 ' A' ' 18' ' ' ILE . . . -153.37 88.89 1.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 10.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.439 ' O ' HG13 ' A' ' 7' ' ' VAL . 6.2 p -84.12 101.8 9.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 10.0 109.271 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.673 HD11 ' HB3' ' A' ' 117' ' ' LEU . 0.8 OUTLIER -51.05 133.54 27.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 10.0 109.332 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.469 ' N ' ' HB1' ' A' ' 145' ' ' ALA . 0.2 OUTLIER -159.04 130.58 6.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 10.0 109.309 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 11' ' ' ASP . . . 177.88 -101.03 0.15 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.546 1.154 . . . . 10.0 110.951 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 10' ' ' GLY . 26.9 t0 -38.16 -51.82 1.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 0.758 . . . . 10.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.468 ' N ' ' CD ' ' A' ' 13' ' ' PRO . . . 146.23 -53.02 0.56 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.467 1.104 . . . . 10.0 111.018 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.481 ' O ' ' N ' ' A' ' 15' ' ' GLN . 18.3 Cg_endo -75.01 -41.34 0.67 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.532 1.806 . . . . 10.0 111.02 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.461 HG12 ' O ' ' A' ' 14' ' ' VAL . 55.6 t -62.3 79.15 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 10.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.481 ' N ' ' O ' ' A' ' 13' ' ' PRO . 0.0 OUTLIER -108.73 37.72 2.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 10.0 110.275 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.478 ' N ' ' HB2' ' A' ' 8' ' ' LEU . . . -56.37 164.65 5.15 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.556 1.16 . . . . 10.0 111.012 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.412 HG13 ' O ' ' A' ' 16' ' ' GLY . 39.4 mt -141.67 102.98 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.433 0.725 . . . . 10.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.796 HD12 ' N ' ' A' ' 19' ' ' ASN . 0.1 OUTLIER -109.13 129.61 63.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.12 . . . . 10.0 109.27 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.796 ' N ' HD12 ' A' ' 18' ' ' ILE . 0.1 OUTLIER -125.26 141.53 52.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.145 . . . . 10.0 109.29 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.959 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 12.0 m-85 -113.22 111.88 22.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 10.0 110.968 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 30' ' ' LYS . 22.5 tt0 -110.71 139.77 45.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 10.0 110.305 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 37.6 tt0 -139.98 80.09 1.75 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 10.0 110.324 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -73.62 58.36 0.6 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 10.0 109.325 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.481 ' O ' ' CB ' ' A' ' 25' ' ' SER . 0.2 OUTLIER -155.88 -48.0 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 10.0 110.302 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.481 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 1.1 t 83.39 -8.56 1.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 10.0 109.997 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -159.83 27.32 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 10.0 109.307 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -129.93 -154.96 8.24 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.486 1.117 . . . . 10.0 110.972 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.462 ' HA ' ' O ' ' A' ' 101' ' ' ASP . 18.3 Cg_endo -74.99 136.68 20.74 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.482 1.78 . . . . 10.0 111.018 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.429 ' O ' HG23 ' A' ' 31' ' ' VAL . 97.4 t -91.61 114.36 28.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 10.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 21' ' ' GLU . 4.8 mttm -72.0 93.82 1.42 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 10.0 109.278 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.581 HG22 ' CD2' ' A' ' 20' ' ' PHE . 25.0 t -88.85 130.1 38.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 10.0 109.305 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -159.51 148.65 18.11 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.012 -1.107 . . . . 10.0 108.012 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.448 ' O ' ' HA ' ' A' ' 96' ' ' ASP . . . -164.69 -172.44 32.16 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.493 1.121 . . . . 10.0 110.967 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.7 p -156.9 121.45 4.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 0.755 . . . . 10.0 110.057 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.927 ' O ' HG13 ' A' ' 94' ' ' VAL . 0.6 OUTLIER -90.71 165.82 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 10.0 109.342 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.606 ' HG2' HG22 ' A' ' 94' ' ' VAL . 53.2 mttt -149.38 115.36 5.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 10.0 109.258 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.523 ' O ' ' N ' ' A' ' 39' ' ' THR . . . 127.0 -48.22 0.98 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.522 1.139 . . . . 10.0 110.974 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.988 HD11 HG21 ' A' ' 119' ' ' VAL . 1.1 mp -58.09 81.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 0.774 . . . . 10.0 109.361 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.523 ' N ' ' O ' ' A' ' 37' ' ' GLY . 71.9 p -37.67 153.96 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 10.0 110.429 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.928 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 6.6 pt-20 -44.02 125.45 4.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 10.0 110.317 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.447 ' O ' ' CD2' ' A' ' 43' ' ' HIS . . . 141.25 170.97 12.45 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.451 1.094 . . . . 10.0 111.006 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.407 ' HA ' ' O ' ' A' ' 87' ' ' VAL . 8.0 mp -72.1 155.66 40.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 0.753 . . . . 10.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.912 ' CG ' HD23 ' A' ' 38' ' ' LEU . 81.5 m-70 -154.47 75.05 0.98 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 10.0 109.631 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 43' ' ' HIS . . . 32.96 -138.3 0.11 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.467 1.104 . . . . 10.0 110.983 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.648 ' CE1' ' NE2' ' A' ' 46' ' ' HIS . 33.0 t80 -150.42 174.02 13.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 0.749 . . . . 10.0 110.973 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.648 ' NE2' ' CE1' ' A' ' 45' ' ' PHE . 0.1 OUTLIER -94.94 174.46 7.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 10.0 109.586 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.456 HG23 ' C ' ' A' ' 46' ' ' HIS . 4.2 t 74.81 60.37 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 10.0 109.265 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.451 ' O ' ' CG ' ' A' ' 48' ' ' HIS . 15.4 p80 . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.536 1.148 . . . . 10.0 109.559 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.408 ' O ' ' CB ' ' A' ' 83' ' ' ASP . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.037 -0.825 . . . . 10.0 111.037 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.463 ' O ' ' CD2' ' A' ' 84' ' ' LEU . 12.1 t0 75.45 83.91 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 0.755 . . . . 10.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.576 ' HB2' ' CZ ' ' A' ' 45' ' ' PHE . 0.1 OUTLIER 175.28 -80.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 10.0 109.308 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.545 ' C ' HD21 ' A' ' 86' ' ' ASN . . . 156.0 -119.98 0.96 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.458 1.099 . . . . 10.0 111.02 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.545 HD21 ' C ' ' A' ' 85' ' ' GLY . 5.4 m120 -135.88 134.63 38.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.764 . . . . 10.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.407 ' O ' ' HA ' ' A' ' 42' ' ' LEU . 34.8 m -86.33 151.53 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 10.0 109.282 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -134.8 148.29 50.16 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 10.0 110.368 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.928 ' HB3' ' HA ' ' A' ' 40' ' ' GLU . . . -85.15 173.56 10.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 10.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.424 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 8.5 t0 -88.39 -98.08 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 10.0 109.279 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.424 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 29.0 pttt -137.61 11.69 2.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 10.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -137.72 13.56 2.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 10.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.475 ' HA2' ' O ' ' A' ' 38' ' ' LEU . . . 84.64 -6.58 77.09 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.485 1.116 . . . . 10.0 111.009 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.927 HG13 ' O ' ' A' ' 35' ' ' ILE . 96.7 t -79.1 136.19 24.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.503 0.766 . . . . 10.0 109.352 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -124.94 117.58 24.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 10.0 109.317 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.448 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 1.5 p-10 -102.04 152.22 21.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 10.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 46.5 t -127.32 159.43 37.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 10.0 109.344 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 51.0 p -169.31 92.68 0.26 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 10.0 109.994 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 32.2 mt -136.57 158.88 37.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 10.0 109.281 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.415 ' O ' ' CG ' ' A' ' 100' ' ' GLU . 1.5 pt-20 -126.56 96.03 4.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 10.0 110.321 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.462 ' O ' ' HA ' ' A' ' 28' ' ' PRO . 1.2 m-20 -92.82 131.95 37.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 10.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 15.2 p -113.03 -47.06 3.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 10.0 109.981 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 85.6 t -44.92 -52.73 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 10.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.778 ' C ' HD12 ' A' ' 104' ' ' ILE . 1.7 pp -68.94 177.11 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 10.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.05 158.08 41.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 10.0 110.002 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -76.93 -28.44 55.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 10.0 109.258 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.68 158.8 40.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 10.0 110.018 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 124.98 -82.87 0.35 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.476 1.11 . . . . 10.0 110.985 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -135.85 -49.96 0.7 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 0.744 . . . . 10.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 32.4 m80 -92.62 36.59 1.01 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.1 . . . . 10.0 109.585 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 46.3 t -48.97 117.3 2.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 10.0 109.995 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.472 HD12 ' CE2' ' A' ' 20' ' ' PHE . 13.3 pt -85.24 -24.44 6.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 10.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 8.1 mt -49.33 132.88 7.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 10.0 109.275 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 102.22 22.91 9.43 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.502 1.126 . . . . 10.0 110.977 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 117' ' ' LEU . 22.6 mtt180 -84.02 79.69 9.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 0.747 . . . . 10.0 110.312 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.91 HG23 HG23 ' A' ' 148' ' ' VAL . 15.1 m -54.15 89.12 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 10.0 110.432 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.673 ' HB3' HD11 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -61.35 112.94 2.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 10.0 109.318 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 145' ' ' ALA . 8.0 p -144.22 107.75 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 10.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.988 HG21 HD11 ' A' ' 38' ' ' LEU . 29.5 m -70.99 178.6 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 10.0 109.332 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' HIS . . . . . 0.426 ' CG ' ' HA3' ' A' ' 44' ' ' GLY . 10.4 m170 -98.98 161.25 13.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 10.0 109.629 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.4 ' CB ' ' HB2' ' A' ' 142' ' ' SER . 3.8 tt0 -94.83 26.76 3.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 10.0 110.293 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 179.79 157.79 0.67 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 10.0 109.31 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -81.13 178.93 8.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 10.0 109.335 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -116.75 90.75 3.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 10.0 109.3 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.52 -20.84 14.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 10.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 7.7 mt 58.29 19.32 6.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 10.0 109.278 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 172.7 76.72 0.05 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.497 1.123 . . . . 10.0 111.003 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 11.4 mttm -94.47 -24.01 17.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 0.779 . . . . 10.0 109.279 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 127.02 -38.13 2.23 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.512 1.132 . . . . 10.0 111.017 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -68.34 -169.63 5.39 Favored Glycine 0 CA--C 1.531 1.047 0 N-CA-C 110.994 -0.842 . . . . 10.0 110.994 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 131' ' ' ASN . . . . . 0.436 ' HA ' ' CG2' ' A' ' 135' ' ' THR . 1.1 m-80 -152.93 144.22 23.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 0.775 . . . . 10.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 73.98 29.71 1.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 10.0 110.304 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -154.37 -62.2 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 10.0 110.28 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 90.5 p -87.67 -12.2 46.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 10.0 110.007 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 135' ' ' THR . . . . . 0.436 ' CG2' ' HA ' ' A' ' 131' ' ' ASN . 12.4 p -78.98 -17.82 54.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 10.0 110.42 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.77 -31.86 7.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 10.0 109.313 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 137' ' ' THR . . . . . 0.429 ' OG1' ' N ' ' A' ' 138' ' ' GLY . 59.2 p -138.71 -102.58 0.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 10.0 110.402 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 138' ' ' GLY . . . . . 0.429 ' N ' ' OG1' ' A' ' 137' ' ' THR . . . -160.69 28.07 0.31 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.482 1.113 . . . . 10.0 110.965 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 50.25 40.86 23.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 0.754 . . . . 10.0 109.319 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 141' ' ' GLY . . . -127.24 -61.96 1.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 10.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 141' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 140' ' ' ALA . . . 36.78 88.96 0.01 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.455 1.097 . . . . 10.0 111.001 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 142' ' ' SER . . . . . 0.4 ' HB2' ' CB ' ' A' ' 121' ' ' GLU . 4.5 m -154.06 109.82 3.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 0.742 . . . . 10.0 109.983 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 15.3 mtp180 -61.91 172.05 1.47 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 10.0 110.336 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.543 HD13 HG23 ' A' ' 119' ' ' VAL . 2.6 mp -146.99 -71.55 0.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 10.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 145' ' ' ALA . . . . . 0.512 ' O ' HG23 ' A' ' 118' ' ' VAL . . . -121.7 167.38 13.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 10.0 109.344 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 146' ' ' CYS . . . . . 0.469 ' HB2' ' CG2' ' A' ' 116' ' ' THR . 0.6 OUTLIER -144.44 69.28 1.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 10.0 108.302 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 147' ' ' GLY . . . . . 0.418 ' H ' HD13 ' A' ' 8' ' ' LEU . . . -46.96 -51.76 12.97 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.485 1.115 . . . . 10.0 111.014 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.91 HG23 HG23 ' A' ' 116' ' ' THR . 3.8 t 65.91 138.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 0.779 . . . . 10.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 149' ' ' ILE . . . . . 1.124 HG23 ' HB1' ' A' ' 4' ' ' ALA . 2.5 mp -91.42 130.13 41.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 10.0 109.261 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -139.18 129.08 4.26 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.508 1.13 . . . . 10.0 111.034 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 151' ' ' ILE . . . . . 0.576 ' CD1' HG23 ' A' ' 2' ' ' THR . 23.1 mm -47.93 139.02 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.559 0.799 . . . . 10.0 109.273 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -141.28 171.36 14.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 10.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 10.0 110.296 -179.985 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.604 ' CG2' ' CD1' ' A' ' 151' ' ' ILE . 27.9 m . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.37 -0.233 . . . . 10.0 110.37 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.471 ' HA ' ' O ' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -84.68 120.86 26.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 10.0 109.313 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.635 ' HB3' ' HB2' ' A' ' 20' ' ' PHE . . . -107.01 164.33 12.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 10.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.879 HG23 ' CB ' ' A' ' 152' ' ' ALA . 17.6 t -132.79 166.54 29.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 10.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.839 ' HB3' HG23 ' A' ' 18' ' ' ILE . . . -156.64 95.82 1.58 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 10.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.664 ' O ' HG13 ' A' ' 7' ' ' VAL . 10.9 p -81.07 89.68 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 10.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 1.109 HD12 ' HB1' ' A' ' 145' ' ' ALA . 2.3 mm? -37.9 151.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 10.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 50.5 tttt -178.97 130.43 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 10.0 109.27 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -171.25 -104.07 0.17 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.507 1.129 . . . . 10.0 111.013 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.872 ' HB2' HD22 ' A' ' 144' ' ' LEU . 35.2 t0 -44.99 -68.06 0.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 0.769 . . . . 10.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.465 ' N ' ' CD ' ' A' ' 13' ' ' PRO . . . 163.0 -53.05 0.3 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.485 1.115 . . . . 10.0 110.983 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.465 ' CD ' ' N ' ' A' ' 12' ' ' GLY . 18.3 Cg_endo -74.98 -13.4 21.46 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.525 1.802 . . . . 10.0 110.995 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.513 HG11 ' HB2' ' A' ' 145' ' ' ALA . 0.5 OUTLIER -96.65 116.55 39.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 10.0 109.285 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -147.37 62.03 1.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 10.0 110.318 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.473 ' CA ' ' HA ' ' A' ' 35' ' ' ILE . . . -60.28 175.31 4.38 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.51 1.131 . . . . 10.0 110.974 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 53.7 mt -141.75 95.6 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.495 0.762 . . . . 10.0 109.288 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.962 HD12 ' N ' ' A' ' 19' ' ' ASN . 0.1 OUTLIER -107.77 136.5 42.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 10.0 109.272 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.962 ' N ' HD12 ' A' ' 18' ' ' ILE . 0.1 OUTLIER -130.92 147.31 52.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 10.0 109.308 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.759 ' CE1' HG13 ' A' ' 31' ' ' VAL . 2.8 m-85 -113.82 144.59 42.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.44 1.088 . . . . 10.0 111.009 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -140.25 143.34 35.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 10.0 110.292 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.639 ' CD ' HG22 ' A' ' 29' ' ' VAL . 4.4 tp60 -153.67 70.15 0.83 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 10.0 110.313 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -83.93 48.8 1.51 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 10.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.419 ' HB3' ' N ' ' A' ' 27' ' ' GLY . 10.9 mm-40 -155.78 142.63 18.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 10.0 110.321 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.8 m -81.68 -11.89 58.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 10.0 109.964 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -155.51 35.95 0.37 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 10.0 109.281 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.419 ' N ' ' HB3' ' A' ' 24' ' ' GLU . . . -113.9 171.26 13.7 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.48 1.112 . . . . 10.0 110.973 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.451 ' HA ' ' O ' ' A' ' 101' ' ' ASP . 18.3 Cg_endo -74.96 147.89 34.72 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.53 1.805 . . . . 10.0 111.017 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.89 ' O ' HG23 ' A' ' 31' ' ' VAL . 38.6 t -84.96 92.52 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 10.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.463 ' O ' ' CZ3' ' A' ' 32' ' ' TRP . 26.6 mttt -53.72 98.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 10.0 109.312 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.89 HG23 ' O ' ' A' ' 29' ' ' VAL . 59.1 t -103.01 124.57 57.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 10.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.463 ' CZ3' ' O ' ' A' ' 30' ' ' LYS . 33.1 p90 -148.76 141.37 24.44 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.999 -1.111 . . . . 10.0 107.999 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.409 ' O ' ' HA ' ' A' ' 96' ' ' ASP . . . -153.78 -174.65 24.21 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.454 1.096 . . . . 10.0 110.993 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.7 t -155.57 120.88 4.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 0.77 . . . . 10.0 109.973 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.725 HG21 HD13 ' A' ' 38' ' ' LEU . 0.5 OUTLIER -84.01 160.51 3.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 10.0 109.318 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.523 ' CG ' ' O ' ' A' ' 35' ' ' ILE . 49.9 mttt -156.77 103.61 2.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 10.0 109.283 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.431 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 161.56 -56.82 0.31 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.473 1.108 . . . . 10.0 110.994 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.725 HD13 HG21 ' A' ' 35' ' ' ILE . 1.1 mp -57.96 -156.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 0.742 . . . . 10.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.41 ' CA ' ' CA ' ' A' ' 93' ' ' GLY . 50.2 p -149.93 154.07 37.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 10.0 110.422 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.583 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 4.8 tt0 -40.37 115.75 0.59 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 10.0 110.314 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.513 ' C ' HD13 ' A' ' 42' ' ' LEU . . . 160.02 -148.91 18.01 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.474 1.109 . . . . 10.0 111.011 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.513 HD13 ' C ' ' A' ' 41' ' ' GLY . 0.4 OUTLIER -104.93 166.67 10.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 0.765 . . . . 10.0 109.31 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.562 ' CG ' HD22 ' A' ' 38' ' ' LEU . 34.4 m-70 -141.85 161.69 37.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 10.0 109.624 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.49 ' HA3' ' CG ' ' A' ' 120' ' ' HIS . . . -52.43 -99.51 0.01 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.471 1.107 . . . . 10.0 111.041 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.459 ' O ' ' NH2' ' A' ' 143' ' ' ARG . 24.0 t80 177.42 156.14 0.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 0.79 . . . . 10.0 110.967 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.507 ' ND1' HD13 ' A' ' 117' ' ' LEU . 0.0 OUTLIER -87.43 176.09 7.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 10.0 109.639 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.402 ' HB ' ' O ' ' A' ' 46' ' ' HIS . 11.5 t 74.21 129.21 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 10.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.443 ' O ' ' CG ' ' A' ' 48' ' ' HIS . 2.6 p-80 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 10.0 109.618 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.99 -0.844 . . . . 10.0 110.99 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.444 ' O ' ' CB ' ' A' ' 84' ' ' LEU . 4.2 m-20 62.68 -160.23 0.31 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 0.769 . . . . 10.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.444 ' CB ' ' O ' ' A' ' 83' ' ' ASP . 0.9 OUTLIER 83.42 -63.72 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.44 1.088 . . . . 10.0 109.321 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 110.06 -124.98 7.35 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.492 1.12 . . . . 10.0 110.994 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -100.46 174.24 6.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 0.781 . . . . 10.0 109.342 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.429 ' O ' ' HA ' ' A' ' 42' ' ' LEU . 2.2 t -116.61 158.81 16.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 10.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 12.3 m -121.42 146.42 46.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 10.0 110.416 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.61 ' HB1' ' C ' ' A' ' 93' ' ' GLY . . . -100.55 174.8 5.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 10.0 109.338 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.453 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 7.9 t0 -80.06 -96.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 10.0 109.325 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.453 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 51.4 pttt -137.3 12.08 3.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 10.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -159.58 28.17 0.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 10.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.61 ' C ' ' HB1' ' A' ' 89' ' ' ALA . . . 93.13 -40.77 2.77 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.502 1.126 . . . . 10.0 111.007 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.569 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 46.9 t -39.88 112.23 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.477 0.751 . . . . 10.0 109.337 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.412 ' H ' HG22 ' A' ' 35' ' ' ILE . . . -112.74 117.16 31.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 10.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.409 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 6.3 p-10 -102.67 149.26 24.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 10.0 109.302 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.521 HG12 HD12 ' A' ' 99' ' ' ILE . 18.4 t -131.08 156.13 42.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 10.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 12.9 t -174.0 96.11 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 10.0 109.978 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.521 HD12 HG12 ' A' ' 97' ' ' VAL . 2.0 mp -131.57 165.83 30.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 10.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.482 ' N ' HG22 ' A' ' 99' ' ' ILE . 4.3 pt-20 -130.24 90.8 3.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 10.0 110.29 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.451 ' O ' ' HA ' ' A' ' 28' ' ' PRO . 32.2 m-20 -96.87 125.86 41.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 10.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.86 -29.31 11.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 10.0 109.956 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 60.0 t -57.79 -50.42 77.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 10.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 1.011 HD13 HG21 ' A' ' 112' ' ' ILE . 1.8 pp -77.29 169.18 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 10.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 175.18 170.29 0.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 10.0 109.993 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.459 HD23 HG13 ' A' ' 113' ' ' ILE . 0.2 OUTLIER -90.26 54.03 2.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 10.0 109.317 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -107.57 167.62 9.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 10.0 110.048 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -79.69 52.93 4.24 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.483 1.115 . . . . 10.0 110.984 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -169.6 -51.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 0.782 . . . . 10.0 109.284 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' HIS . . . . . 0.403 ' O ' ' C ' ' A' ' 111' ' ' SER . 6.0 m80 -110.89 24.35 13.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 10.0 109.557 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 110' ' ' HIS . 54.9 p -38.97 136.57 0.77 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 10.0 110.014 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 1.011 HG21 HD13 ' A' ' 104' ' ' ILE . 28.5 pt -104.29 -34.48 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 10.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.459 HG13 HD23 ' A' ' 106' ' ' LEU . 8.2 mt -44.77 123.25 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 10.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 115.69 6.04 17.59 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.507 1.13 . . . . 10.0 111.053 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.407 ' O ' ' CD1' ' A' ' 149' ' ' ILE . 2.2 mtt180 -96.04 71.32 2.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 0.797 . . . . 10.0 110.319 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.57 ' HB ' HG22 ' A' ' 148' ' ' VAL . 2.0 t -61.93 141.95 57.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 10.0 110.395 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.736 ' O ' HD11 ' A' ' 8' ' ' LEU . 0.4 OUTLIER -88.17 79.44 7.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.128 . . . . 10.0 109.281 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.724 HG13 ' O ' ' A' ' 145' ' ' ALA . 2.6 t -78.21 144.44 11.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 10.0 109.314 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.41 HG22 ' HB3' ' A' ' 145' ' ' ALA . 33.9 m -141.45 130.79 24.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 10.0 109.312 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' HIS . . . . . 0.49 ' CG ' ' HA3' ' A' ' 44' ' ' GLY . 8.6 m170 -84.94 157.36 20.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 10.0 109.586 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -49.98 -45.07 51.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 10.0 110.311 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.659 ' HB3' ' HB1' ' A' ' 140' ' ' ALA . 0.4 OUTLIER -149.04 156.91 42.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.15 . . . . 10.0 109.282 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.406 ' HB2' ' N ' ' A' ' 43' ' ' HIS . . . -63.82 -165.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 10.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.517 ' O ' ' CB ' ' A' ' 125' ' ' ASP . 3.5 t0 -111.08 -83.43 0.57 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 10.0 109.345 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 125' ' ' ASP . . . . . 0.517 ' CB ' ' O ' ' A' ' 124' ' ' ASP . 3.0 m-20 154.4 44.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 10.0 109.273 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 54.1 mt 42.1 27.66 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 10.0 109.293 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' GLY . . . . . 0.441 ' N ' ' C ' ' A' ' 125' ' ' ASP . . . 103.16 126.25 5.82 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.541 1.15 . . . . 10.0 110.99 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 4.2 pttt -102.88 -26.99 12.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 0.794 . . . . 10.0 109.328 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 120.5 -51.48 0.77 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.518 1.136 . . . . 10.0 110.984 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -50.56 -178.58 0.02 OUTLIER Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.992 -0.843 . . . . 10.0 110.992 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 131' ' ' ASN . . . . . 0.492 ' O ' ' CB ' ' A' ' 132' ' ' GLU . 39.3 m-20 -149.18 147.4 28.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 0.751 . . . . 10.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.492 ' CB ' ' O ' ' A' ' 131' ' ' ASN . 16.3 tt0 85.07 30.38 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 10.0 110.29 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -164.89 -54.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 10.0 110.239 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 2.0 p -93.25 -23.51 18.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 10.0 109.969 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 56.1 p -78.43 -10.09 59.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 10.0 110.416 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -110.9 -37.82 5.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 10.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 58.5 p -130.78 -98.58 0.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 10.0 110.433 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 138' ' ' GLY . . . . . 0.447 ' C ' ' N ' ' A' ' 140' ' ' ALA . . . -167.55 29.51 0.17 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.469 1.105 . . . . 10.0 111.027 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 139' ' ' ASN . . . . . 0.433 ' ND2' ' O ' ' A' ' 139' ' ' ASN . 30.9 t30 39.18 31.4 0.05 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 0.799 . . . . 10.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.659 ' HB1' ' HB3' ' A' ' 122' ' ' LYS . . . -128.55 -56.66 1.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 10.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -154.87 -126.19 1.01 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.478 1.111 . . . . 10.0 111.027 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 30.5 t 177.08 172.66 0.48 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 0.768 . . . . 10.0 109.989 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 143' ' ' ARG . . . . . 0.664 ' CD ' HG11 ' A' ' 118' ' ' VAL . 0.0 OUTLIER -39.13 133.64 1.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 10.0 110.285 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.872 HD22 ' HB2' ' A' ' 11' ' ' ASP . 20.5 mt -145.29 33.24 1.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 10.0 109.267 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 145' ' ' ALA . . . . . 1.109 ' HB1' HD12 ' A' ' 8' ' ' LEU . . . -173.87 159.41 3.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 10.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 146' ' ' CYS . . . . . 0.427 ' HA ' ' OG1' ' A' ' 116' ' ' THR . 3.5 m -155.58 66.31 0.62 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 10.0 108.27 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 147' ' ' GLY . . . . . 0.791 ' O ' ' HB1' ' A' ' 6' ' ' ALA . . . -75.55 63.52 2.64 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.518 1.136 . . . . 10.0 111.055 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.57 HG22 ' HB ' ' A' ' 116' ' ' THR . 28.0 t -54.02 130.58 15.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.475 0.75 . . . . 10.0 109.283 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 149' ' ' ILE . . . . . 0.766 HG13 ' HB2' ' A' ' 6' ' ' ALA . 1.8 mp -90.86 106.02 17.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 10.0 109.257 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -125.86 156.71 19.62 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.518 1.136 . . . . 10.0 111.026 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 151' ' ' ILE . . . . . 0.604 ' CD1' ' CG2' ' A' ' 2' ' ' THR . 6.9 mm -42.91 150.68 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 0.778 . . . . 10.0 109.263 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 152' ' ' ALA . . . . . 0.879 ' CB ' HG23 ' A' ' 5' ' ' VAL . . . -154.57 163.61 39.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 10.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 10.0 110.273 -179.964 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.994 HG22 HD12 ' A' ' 151' ' ' ILE . 1.9 m . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.38 -0.23 . . . . 10.0 110.38 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -86.48 145.7 26.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 10.0 109.323 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.762 ' HB3' ' HB2' ' A' ' 20' ' ' PHE . . . -128.28 167.3 17.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 10.0 109.253 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.9 t -139.84 153.13 22.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 10.0 109.351 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 1.037 ' HB2' HD13 ' A' ' 149' ' ' ILE . . . -155.8 83.85 1.02 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 10.0 109.28 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.627 ' O ' HG23 ' A' ' 7' ' ' VAL . 5.1 m -85.34 104.6 13.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 10.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.61 HD23 ' N ' ' A' ' 8' ' ' LEU . 2.0 mt -49.75 131.76 21.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 10.0 109.331 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.505 ' N ' ' HB1' ' A' ' 145' ' ' ALA . 2.2 ttmt -164.85 110.24 0.95 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 10.0 109.312 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -172.02 -79.26 0.05 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.477 1.111 . . . . 10.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -43.61 -57.69 3.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 0.746 . . . . 10.0 109.29 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 153.42 -64.97 0.34 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.533 1.146 . . . . 10.0 110.983 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.446 ' O ' ' N ' ' A' ' 15' ' ' GLN . 18.4 Cg_endo -75.02 -45.46 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.551 1.816 . . . . 10.0 111.004 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.521 HG21 HD13 ' A' ' 144' ' ' LEU . 94.3 t -55.72 89.34 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 10.0 109.258 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 13' ' ' PRO . 1.3 tt0 -117.5 44.03 2.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 10.0 110.315 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.436 ' CA ' ' HA ' ' A' ' 35' ' ' ILE . . . -58.17 162.77 9.51 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.474 1.109 . . . . 10.0 110.979 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 49.4 mt -137.75 95.43 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.537 0.787 . . . . 10.0 109.274 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.809 HG23 ' HB3' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -111.05 154.04 12.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 10.0 109.312 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.463 ' N ' HD13 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -135.81 173.07 12.12 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 10.0 109.342 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.762 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 2.5 m-85 -140.58 114.56 9.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 10.0 110.989 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 30' ' ' LYS . 21.9 tt0 -116.9 143.09 46.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 10.0 110.271 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.42 ' HB2' HG22 ' A' ' 29' ' ' VAL . 38.7 tt0 -138.94 93.78 2.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 10.0 110.294 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.47 52.99 2.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 10.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.512 ' O ' ' CB ' ' A' ' 25' ' ' SER . 1.0 OUTLIER -153.96 -45.78 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.155 . . . . 10.0 110.325 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.512 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 1.0 OUTLIER 85.74 -13.38 0.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 10.0 110.004 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -157.48 25.36 0.29 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 10.0 109.306 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -127.05 -146.77 6.55 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.537 1.148 . . . . 10.0 110.957 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.458 ' HA ' ' O ' ' A' ' 101' ' ' ASP . 18.4 Cg_endo -74.96 156.37 43.15 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.48 1.779 . . . . 10.0 110.977 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.527 HG11 ' HD2' ' A' ' 20' ' ' PHE . 93.7 t -115.02 119.88 63.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 10.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 21' ' ' GLU . 3.6 mttt -74.41 94.84 2.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.581 1.176 . . . . 10.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.581 HG13 ' CE1' ' A' ' 20' ' ' PHE . 25.5 t -89.87 133.88 30.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 10.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 1.4 p90 -165.36 140.6 5.12 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 10.0 108.025 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.447 ' CA ' ' HA ' ' A' ' 18' ' ' ILE . . . -160.76 -166.85 20.33 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.487 1.117 . . . . 10.0 110.993 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.8 m -157.72 120.71 3.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 0.764 . . . . 10.0 110.053 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.735 HG21 HD13 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -84.58 166.04 2.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 10.0 109.308 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.504 ' N ' HG23 ' A' ' 35' ' ' ILE . 4.1 mttm -156.51 107.82 2.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 10.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.443 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 146.44 -51.79 0.58 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.465 1.103 . . . . 10.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.798 HD11 HG21 ' A' ' 119' ' ' VAL . 3.1 mp -55.59 -163.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 0.783 . . . . 10.0 109.257 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.41 ' O ' ' C ' ' A' ' 40' ' ' GLU . 42.6 p -145.2 150.51 36.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 10.0 110.42 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.812 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -38.0 118.69 0.71 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 10.0 110.311 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.406 ' O ' ' HA ' ' A' ' 88' ' ' THR . . . 153.05 177.96 27.15 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.476 1.11 . . . . 10.0 111.014 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.0 mp -81.59 135.12 35.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 0.749 . . . . 10.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.698 ' NE2' ' HB2' ' A' ' 89' ' ' ALA . 59.8 m-70 -111.59 169.31 8.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 10.0 109.576 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.476 ' HA3' ' CG ' ' A' ' 120' ' ' HIS . . . -74.78 179.31 44.51 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.477 1.111 . . . . 10.0 111.042 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.591 ' CE1' ' OD1' ' A' ' 86' ' ' ASN . 16.7 m-85 -85.12 153.58 22.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 0.79 . . . . 10.0 110.979 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.507 ' CG ' HG23 ' A' ' 47' ' ' VAL . 4.3 p80 -76.42 175.5 9.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 10.0 109.596 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.507 HG23 ' CG ' ' A' ' 46' ' ' HIS . 6.1 t 73.98 134.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 10.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 39.4 p-80 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 10.0 109.589 -179.968 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.412 ' O ' ' O ' ' A' ' 83' ' ' ASP . . . . . . . . 0 CA--C 1.529 0.957 0 N-CA-C 111.033 -0.827 . . . . 10.0 111.033 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.412 ' O ' ' O ' ' A' ' 82' ' ' GLY . 1.9 m-20 -48.59 176.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 0.763 . . . . 10.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -141.68 -64.19 0.44 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 10.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.506 ' HA2' ' CE2' ' A' ' 45' ' ' PHE . . . -176.99 -169.4 38.19 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.556 1.16 . . . . 10.0 110.97 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.591 ' OD1' ' CE1' ' A' ' 45' ' ' PHE . 1.7 m-20 -84.95 123.79 30.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 0.788 . . . . 10.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.508 HG23 ' HB2' ' A' ' 43' ' ' HIS . 12.4 m -97.49 118.48 44.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 10.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' A' ' 41' ' ' GLY . 15.0 m -96.15 154.96 16.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 10.0 110.402 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.812 ' HB3' ' HA ' ' A' ' 40' ' ' GLU . . . -85.28 168.05 15.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 10.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.453 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 12.0 t0 -77.74 -96.86 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.496 1.123 . . . . 10.0 109.253 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.453 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 1.7 ptpt -134.71 8.87 3.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 10.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -159.45 26.74 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.571 1.17 . . . . 10.0 109.269 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.656 ' CA ' ' HB1' ' A' ' 89' ' ' ALA . . . 98.31 -44.62 1.75 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.506 1.129 . . . . 10.0 110.978 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.465 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 21.6 t -39.6 99.44 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.47 0.747 . . . . 10.0 109.296 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 93' ' ' GLY . . . -101.15 118.1 36.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 10.0 109.262 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.422 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 2.0 p-10 -109.62 150.25 28.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 10.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.621 ' CG1' HD12 ' A' ' 99' ' ' ILE . 24.7 t -123.24 163.93 21.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 10.0 109.261 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.439 ' N ' HG12 ' A' ' 97' ' ' VAL . 79.7 p -177.4 82.94 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 10.0 110.024 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.621 HD12 ' CG1' ' A' ' 97' ' ' VAL . 2.3 mp -134.98 168.06 24.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 10.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.535 ' N ' HG22 ' A' ' 99' ' ' ILE . 0.8 OUTLIER -129.76 95.89 4.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 10.0 110.279 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.458 ' O ' ' HA ' ' A' ' 28' ' ' PRO . 54.2 t0 -85.72 118.25 25.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 10.0 109.262 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.433 ' O ' HG23 ' A' ' 103' ' ' VAL . 21.6 t -102.05 61.91 0.88 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 10.0 110.033 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 102' ' ' SER . 50.4 t -153.41 -70.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 10.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.709 ' C ' HD12 ' A' ' 104' ' ' ILE . 1.9 pp -51.24 -179.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.158 . . . . 10.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' SER . . . . . 0.412 ' CB ' ' HB2' ' A' ' 109' ' ' ASP . 0.1 OUTLIER -167.43 153.86 8.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 10.0 109.987 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.764 ' CD2' HD11 ' A' ' 112' ' ' ILE . 3.5 mm? -62.26 -47.07 85.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 10.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 39.0 m -155.92 151.69 27.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 10.0 109.993 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 72.48 57.32 5.58 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.469 1.105 . . . . 10.0 110.973 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.412 ' HB2' ' CB ' ' A' ' 105' ' ' SER . 4.6 m-20 173.86 -92.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 0.737 . . . . 10.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' HIS . . . . . 0.497 ' HE1' HG22 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -117.37 -17.78 10.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 10.0 109.596 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.411 ' O ' ' O ' ' A' ' 110' ' ' HIS . 36.3 t 57.49 111.96 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.514 1.134 . . . . 10.0 110.034 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.764 HD11 ' CD2' ' A' ' 106' ' ' LEU . 6.9 pt -96.97 -37.29 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 10.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.5 HD11 HG12 ' A' ' 151' ' ' ILE . 5.0 mt -40.29 118.11 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 10.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 114.73 -7.28 22.14 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.498 1.124 . . . . 10.0 111.035 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.29 87.42 6.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 0.748 . . . . 10.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.654 HG23 HG23 ' A' ' 118' ' ' VAL . 0.3 OUTLIER -70.86 144.56 50.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 10.0 110.374 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.499 HD13 ' HB3' ' A' ' 46' ' ' HIS . 0.2 OUTLIER -87.27 70.07 10.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 10.0 109.312 179.94 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.654 HG23 HG23 ' A' ' 116' ' ' THR . 14.2 t -82.23 172.63 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 10.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.798 HG21 HD11 ' A' ' 38' ' ' LEU . 2.7 m -148.51 139.31 17.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 10.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' HIS . . . . . 0.476 ' CG ' ' HA3' ' A' ' 44' ' ' GLY . 6.6 m170 -84.59 160.08 20.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 10.0 109.593 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -88.11 63.81 7.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 10.0 110.278 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.485 ' HB2' ' HB1' ' A' ' 140' ' ' ALA . 0.0 OUTLIER 171.5 169.89 0.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 10.0 109.31 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -70.02 -165.69 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 10.0 109.305 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.498 ' OD2' ' CD1' ' A' ' 45' ' ' PHE . 8.2 m-20 -142.02 97.0 3.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.103 . . . . 10.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 125' ' ' ASP . . . . . 0.433 ' O ' ' N ' ' A' ' 127' ' ' GLY . 6.5 m-20 -132.75 104.83 6.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 10.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 3.3 mt -69.58 54.25 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.142 . . . . 10.0 109.301 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 125' ' ' ASP . . . 171.96 77.72 0.05 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.471 1.107 . . . . 10.0 111.052 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 6.6 mttm -108.42 30.55 6.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 0.742 . . . . 10.0 109.308 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 84.25 -49.84 4.3 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.485 1.116 . . . . 10.0 110.982 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -65.36 -176.14 5.68 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.001 -0.84 . . . . 10.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -147.81 142.62 26.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 0.772 . . . . 10.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 73.65 27.67 1.74 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.098 . . . . 10.0 110.296 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.82 -60.99 0.5 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 10.0 110.32 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 49.5 p -90.4 -29.33 18.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 10.0 110.026 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 43.5 p -58.36 -16.43 14.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 10.0 110.387 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.5 -36.36 5.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 10.0 109.292 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 137' ' ' THR . . . . . 0.427 ' OG1' ' N ' ' A' ' 138' ' ' GLY . 80.6 p -130.32 -101.86 0.3 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 10.0 110.399 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 138' ' ' GLY . . . . . 0.427 ' N ' ' OG1' ' A' ' 137' ' ' THR . . . -169.06 30.28 0.16 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.538 1.149 . . . . 10.0 111.019 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 48.06 59.92 3.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 0.757 . . . . 10.0 109.335 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.485 ' HB1' ' HB2' ' A' ' 122' ' ' LYS . . . -163.5 -62.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 10.0 109.352 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 141' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 140' ' ' ALA . . . 36.33 92.06 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.505 1.128 . . . . 10.0 110.96 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -149.81 70.93 1.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 0.745 . . . . 10.0 109.984 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 1.1 ptt-85 -47.13 157.12 0.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 10.0 110.311 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.521 HD13 HG21 ' A' ' 14' ' ' VAL . 62.6 mt -124.11 -86.56 0.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 10.0 109.313 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 145' ' ' ALA . . . . . 0.576 ' O ' HG13 ' A' ' 118' ' ' VAL . . . -95.84 174.47 6.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.42 1.075 . . . . 10.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 146' ' ' CYS . . . . . 0.443 ' HA ' ' OG1' ' A' ' 116' ' ' THR . 26.9 p -150.21 70.69 1.04 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 10.0 108.276 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 147' ' ' GLY . . . . . 0.44 ' N ' ' HA ' ' A' ' 8' ' ' LEU . . . -48.89 -48.85 29.99 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.499 1.125 . . . . 10.0 110.988 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.496 ' CG2' ' HB ' ' A' ' 116' ' ' THR . 53.1 t 66.09 125.56 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.486 0.756 . . . . 10.0 109.256 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 149' ' ' ILE . . . . . 1.037 HD13 ' HB2' ' A' ' 6' ' ' ALA . 24.0 mm -71.86 137.44 23.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 10.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -153.04 117.43 0.81 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.548 1.155 . . . . 10.0 110.996 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 151' ' ' ILE . . . . . 0.994 HD12 HG22 ' A' ' 2' ' ' THR . 19.1 mm -47.52 137.24 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 0.757 . . . . 10.0 109.312 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -127.7 175.02 8.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 10.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 10.0 110.314 179.978 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.818 HG21 HG23 ' A' ' 151' ' ' ILE . 28.4 m . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.381 -0.229 . . . . 10.0 110.381 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.605 ' O ' ' HB3' ' A' ' 152' ' ' ALA . 1.0 OUTLIER -106.84 109.15 20.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 10.0 109.309 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.952 ' HB3' ' HB2' ' A' ' 20' ' ' PHE . . . -84.3 167.27 16.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 10.0 109.29 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.46 HG22 ' HB2' ' A' ' 152' ' ' ALA . 0.0 OUTLIER -149.13 143.85 18.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 10.0 109.294 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.891 ' HB3' ' CG1' ' A' ' 18' ' ' ILE . . . -136.81 107.33 6.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 10.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.419 HG12 ' H ' ' A' ' 7' ' ' VAL . 3.4 p -82.04 88.55 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 10.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.464 HD13 ' HB1' ' A' ' 145' ' ' ALA . 0.4 OUTLIER -44.3 144.87 0.9 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 10.0 109.267 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 179.78 120.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 10.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -165.1 -98.64 0.13 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.455 1.097 . . . . 10.0 111.014 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -42.56 -62.11 1.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 0.743 . . . . 10.0 109.306 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.48 ' N ' ' CD ' ' A' ' 13' ' ' PRO . . . 162.26 -52.1 0.32 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.498 1.124 . . . . 10.0 111.03 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.48 ' CD ' ' N ' ' A' ' 12' ' ' GLY . 18.2 Cg_endo -75.02 -40.9 0.75 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.479 1.779 . . . . 10.0 110.998 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.928 HG22 ' CD1' ' A' ' 38' ' ' LEU . 36.8 t -61.21 82.44 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 10.0 109.266 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 13' ' ' PRO . 0.1 OUTLIER -121.84 60.87 0.96 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.164 . . . . 10.0 110.302 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.458 ' C ' HG13 ' A' ' 17' ' ' ILE . . . -94.01 -178.45 39.03 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.481 1.113 . . . . 10.0 110.981 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.458 HG13 ' C ' ' A' ' 16' ' ' GLY . 65.5 mt -143.48 117.29 3.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.533 0.784 . . . . 10.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.891 ' CG1' ' HB3' ' A' ' 6' ' ' ALA . 0.6 OUTLIER -96.96 160.93 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 10.0 109.324 179.934 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.683 ' N ' HD12 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -146.26 116.6 7.47 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.094 . . . . 10.0 109.305 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.952 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 4.4 m-30 -105.97 97.0 6.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.429 1.081 . . . . 10.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.408 ' C ' ' OE1' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -108.91 130.04 55.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 10.0 110.273 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -122.11 59.23 1.01 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 10.0 110.278 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.8 mttt -70.83 65.89 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.091 . . . . 10.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.409 ' O ' ' N ' ' A' ' 26' ' ' ASN . 0.6 OUTLIER -150.8 155.9 40.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 10.0 110.283 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.429 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 4.4 m -69.56 57.87 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 10.0 109.989 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.429 ' CB ' ' O ' ' A' ' 25' ' ' SER . 0.7 OUTLIER 77.61 29.5 0.52 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 10.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -86.9 -145.55 9.39 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.474 1.109 . . . . 10.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.451 ' HA ' ' O ' ' A' ' 101' ' ' ASP . 18.2 Cg_endo -74.99 164.44 33.37 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.466 1.771 . . . . 10.0 110.986 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.425 HG21 ' CD1' ' A' ' 104' ' ' ILE . 93.5 t -103.48 123.33 56.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 10.0 109.366 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.4 mttt -78.97 88.76 4.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 10.0 109.311 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.816 HG13 ' CE1' ' A' ' 20' ' ' PHE . 46.2 t -86.4 128.21 39.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 10.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.55 ' CD2' ' OD1' ' A' ' 19' ' ' ASN . 0.0 OUTLIER -158.51 165.28 34.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 10.0 107.967 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.53 ' N ' ' CD1' ' A' ' 32' ' ' TRP . . . 162.45 -161.22 33.44 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.51 1.131 . . . . 10.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.419 ' O ' ' HA3' ' A' ' 16' ' ' GLY . 79.8 p -155.54 125.35 6.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 0.763 . . . . 10.0 109.987 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 1.039 HG22 HD21 ' A' ' 38' ' ' LEU . 10.1 mt -111.41 109.85 30.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 10.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.454 ' CB ' HG22 ' A' ' 94' ' ' VAL . 15.1 ptpt -112.49 114.84 27.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 10.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.77 -27.86 0.2 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.507 1.13 . . . . 10.0 111.007 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 1.039 HD21 HG22 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -84.89 -161.64 0.6 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 0.761 . . . . 10.0 109.284 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 46.5 p -125.41 156.58 38.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 10.0 110.382 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.902 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 2.4 tm-20 -58.12 143.78 42.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 10.0 110.267 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.406 ' O ' ' HA ' ' A' ' 88' ' ' THR . . . 128.93 176.31 14.39 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.476 1.11 . . . . 10.0 110.991 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.5 mp -55.05 159.94 2.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 0.774 . . . . 10.0 109.33 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.59 ' CG ' ' ND1' ' A' ' 120' ' ' HIS . 2.6 m-70 -155.37 164.85 38.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 10.0 109.577 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -82.65 -133.16 1.86 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.471 1.107 . . . . 10.0 110.966 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.447 ' CE2' ' CG1' ' A' ' 87' ' ' VAL . 0.2 OUTLIER -166.26 154.11 10.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 0.772 . . . . 10.0 111.002 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.494 ' C ' HG23 ' A' ' 47' ' ' VAL . 0.4 OUTLIER -50.99 174.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 10.0 109.584 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.494 HG23 ' C ' ' A' ' 46' ' ' HIS . 1.3 t 61.0 88.83 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 10.0 109.276 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 53.9 p-80 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 10.0 109.541 179.959 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.0 -0.84 . . . . 10.0 111.0 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.459 ' O ' HD22 ' A' ' 84' ' ' LEU . 0.7 OUTLIER -82.73 156.14 23.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 0.797 . . . . 10.0 109.308 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.459 HD22 ' O ' ' A' ' 83' ' ' ASP . 0.3 OUTLIER -137.4 -73.58 0.42 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 10.0 109.294 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -163.49 -116.56 0.38 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.48 1.113 . . . . 10.0 110.999 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 43' ' ' HIS . 2.3 m120 -151.09 148.39 28.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 0.738 . . . . 10.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.447 ' CG1' ' CE2' ' A' ' 45' ' ' PHE . 7.5 m -111.17 -170.56 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.104 . . . . 10.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.422 ' HG1' ' C ' ' A' ' 87' ' ' VAL . 3.1 m -155.51 145.24 21.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 10.0 110.44 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.902 ' HB3' ' HA ' ' A' ' 40' ' ' GLU . . . -85.6 173.42 10.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 10.0 109.337 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.457 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 11.0 t0 -85.86 -96.13 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 10.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.457 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 0.1 OUTLIER -137.83 11.67 2.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 10.0 109.298 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -156.04 24.2 0.37 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 10.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.513 ' O ' ' CD2' ' A' ' 38' ' ' LEU . . . 88.28 -29.91 5.43 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.493 1.121 . . . . 10.0 111.019 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.454 HG22 ' CB ' ' A' ' 36' ' ' LYS . 16.9 t -44.3 94.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.562 0.801 . . . . 10.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.489 ' N ' ' O ' ' A' ' 93' ' ' GLY . . . -99.83 114.53 27.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 10.0 109.258 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.429 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 4.6 p-10 -91.16 148.36 22.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.138 . . . . 10.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 22.0 t -118.44 153.97 20.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 10.0 109.307 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 65.9 p -176.26 89.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 10.0 110.031 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.466 HG22 ' H ' ' A' ' 100' ' ' GLU . 1.1 mt -142.58 172.86 7.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 10.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.466 ' H ' HG22 ' A' ' 99' ' ' ILE . 4.1 mp0 -133.34 102.93 5.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 10.0 110.254 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.451 ' O ' ' HA ' ' A' ' 28' ' ' PRO . 25.7 m-20 -84.96 102.73 13.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 10.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.618 ' O ' HG23 ' A' ' 103' ' ' VAL . 53.5 p -88.9 63.02 6.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 10.0 109.989 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 102' ' ' SER . 47.7 t -158.92 -65.05 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 10.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.92 HD13 HG21 ' A' ' 112' ' ' ILE . 1.5 pp -78.1 168.17 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 10.0 109.328 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 48.5 m -161.52 161.68 30.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 10.0 109.964 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.637 HD23 HD11 ' A' ' 113' ' ' ILE . 1.1 mt -61.46 -39.21 90.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 10.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 79.9 p -129.75 -171.37 2.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 10.0 110.042 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 93.41 -140.56 15.12 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.482 1.114 . . . . 10.0 111.01 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -98.69 28.03 4.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 0.749 . . . . 10.0 109.32 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' HIS . . . . . 0.43 ' CE1' ' O ' ' A' ' 103' ' ' VAL . 72.7 m80 -125.07 -70.13 0.76 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 10.0 109.598 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 10.6 p 60.8 94.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 10.0 110.022 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.92 HG21 HD13 ' A' ' 104' ' ' ILE . 10.4 pt -90.48 -14.22 8.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 10.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.637 HD11 HD23 ' A' ' 106' ' ' LEU . 34.4 mm -50.78 109.12 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 10.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 112.34 34.4 1.95 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.534 1.146 . . . . 10.0 111.048 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.426 ' CG ' ' O ' ' A' ' 112' ' ' ILE . 4.8 mmm180 -111.74 82.16 1.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 0.772 . . . . 10.0 110.3 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.615 HG23 ' HA ' ' A' ' 146' ' ' CYS . 3.0 m -41.46 111.83 0.26 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 10.0 110.388 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.616 HD21 ' CZ ' ' A' ' 20' ' ' PHE . 0.8 OUTLIER -76.97 85.89 3.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 10.0 109.318 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.599 HG11 ' CG ' ' A' ' 143' ' ' ARG . 17.2 t -79.64 156.76 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 10.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.53 HG12 ' N ' ' A' ' 120' ' ' HIS . 21.9 t -97.74 -121.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 10.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' HIS . . . . . 0.59 ' ND1' ' CG ' ' A' ' 43' ' ' HIS . 0.0 OUTLIER -155.96 124.65 5.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 10.0 109.635 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.56 ' HA ' HD11 ' A' ' 144' ' ' LEU . 0.8 OUTLIER -66.1 -18.88 65.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 10.0 110.26 -179.935 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -179.1 -171.87 0.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 10.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -91.19 122.05 33.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 10.0 109.286 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -67.58 -10.77 54.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 10.0 109.311 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 53.15 32.39 13.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 10.0 109.287 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 15.8 mt 55.36 19.19 2.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 10.0 109.333 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 97.32 127.35 5.62 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.524 1.14 . . . . 10.0 110.994 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 5.2 mttp -72.01 -71.96 0.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 0.773 . . . . 10.0 109.31 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -144.92 29.84 1.82 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.47 1.107 . . . . 10.0 110.979 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 64.21 107.14 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 N-CA-C 111.021 -0.832 . . . . 10.0 111.021 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 131' ' ' ASN . . . . . 0.565 ' O ' ' N ' ' A' ' 135' ' ' THR . 0.3 OUTLIER -144.49 153.39 41.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 0.755 . . . . 10.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 131' ' ' ASN . 4.0 mt-10 -38.1 -28.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 10.0 110.324 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 133' ' ' GLN . . . . . 0.48 ' N ' ' O ' ' A' ' 131' ' ' ASN . 0.0 OUTLIER -89.94 -46.76 8.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 10.0 110.312 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 134' ' ' SER . . . . . 0.461 ' O ' ' N ' ' A' ' 136' ' ' LYS . 0.1 OUTLIER -70.31 -49.43 49.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 10.0 109.999 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 135' ' ' THR . . . . . 0.565 ' N ' ' O ' ' A' ' 131' ' ' ASN . 23.1 p -37.04 -31.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 10.0 110.399 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 134' ' ' SER . 0.0 OUTLIER -106.77 -39.17 5.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 10.0 109.281 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 137' ' ' THR . . . . . 0.475 ' OG1' ' N ' ' A' ' 138' ' ' GLY . 33.7 p -129.46 -116.5 0.24 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 10.0 110.389 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 138' ' ' GLY . . . . . 0.475 ' N ' ' OG1' ' A' ' 137' ' ' THR . . . -165.35 46.04 0.28 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.537 1.148 . . . . 10.0 111.021 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 50.4 33.14 7.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 0.798 . . . . 10.0 109.282 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -151.78 26.22 0.65 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 10.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -80.37 94.48 1.5 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.516 1.135 . . . . 10.0 110.945 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 142' ' ' SER . . . . . 0.473 ' CB ' ' HB2' ' A' ' 121' ' ' GLU . 0.3 OUTLIER -150.16 146.07 26.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 0.762 . . . . 10.0 109.997 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 143' ' ' ARG . . . . . 0.925 ' O ' HD23 ' A' ' 144' ' ' LEU . 3.7 mtp85 -94.24 135.57 35.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 10.0 110.295 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.925 HD23 ' O ' ' A' ' 143' ' ' ARG . 12.6 mt -129.03 12.37 6.14 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.459 1.099 . . . . 10.0 109.306 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 145' ' ' ALA . . . . . 0.464 ' HB1' HD13 ' A' ' 8' ' ' LEU . . . -166.38 161.38 16.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 10.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 146' ' ' CYS . . . . . 0.615 ' HA ' HG23 ' A' ' 116' ' ' THR . 21.5 p -153.89 65.48 0.72 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 10.0 108.313 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -59.99 -41.59 97.98 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.53 1.144 . . . . 10.0 110.985 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 3.1 t 63.56 145.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.523 0.778 . . . . 10.0 109.254 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 149' ' ' ILE . . . . . 0.909 HG23 ' HB1' ' A' ' 4' ' ' ALA . 47.3 mm -84.54 127.41 39.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.11 . . . . 10.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -135.39 111.17 0.88 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.461 1.101 . . . . 10.0 111.054 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 151' ' ' ILE . . . . . 0.818 HG23 HG21 ' A' ' 2' ' ' THR . 11.5 mm -41.22 132.75 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.522 0.778 . . . . 10.0 109.359 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 152' ' ' ALA . . . . . 0.605 ' HB3' ' O ' ' A' ' 3' ' ' LYS . . . -90.94 170.41 10.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 10.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 10.0 110.313 179.998 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.81 HG22 HG23 ' A' ' 151' ' ' ILE . 1.3 m . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.376 -0.231 . . . . 10.0 110.376 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -97.51 110.13 22.75 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.131 . . . . 10.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.841 ' HB3' ' HB2' ' A' ' 20' ' ' PHE . . . -88.95 157.69 18.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 10.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.8 t -130.95 153.42 39.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 10.0 109.262 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.909 ' HB2' ' HA ' ' A' ' 149' ' ' ILE . . . -155.66 89.71 1.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 10.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.564 HG12 HG12 ' A' ' 17' ' ' ILE . 10.6 m -83.82 109.21 17.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.42 1.075 . . . . 10.0 109.31 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.486 ' HB2' ' N ' ' A' ' 16' ' ' GLY . 0.7 OUTLIER -55.17 144.0 25.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 10.0 109.272 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.608 ' H ' ' HB1' ' A' ' 145' ' ' ALA . 1.4 tttt -171.95 142.47 1.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 10.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 11' ' ' ASP . . . 168.79 -95.77 0.11 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.527 1.142 . . . . 10.0 111.002 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 10' ' ' GLY . 39.9 t0 -40.28 -49.96 2.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 0.767 . . . . 10.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.442 ' N ' ' CD ' ' A' ' 13' ' ' PRO . . . 142.64 -53.7 0.61 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.478 1.111 . . . . 10.0 111.061 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.442 ' CD ' ' N ' ' A' ' 12' ' ' GLY . 18.5 Cg_endo -75.01 -21.86 15.4 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.525 1.802 . . . . 10.0 111.061 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.2 t -83.2 99.3 5.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 10.0 109.271 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 -123.76 31.32 5.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 10.0 110.29 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.486 ' N ' ' HB2' ' A' ' 8' ' ' LEU . . . -42.85 162.8 0.03 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.455 1.097 . . . . 10.0 110.971 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.564 HG12 HG12 ' A' ' 7' ' ' VAL . 65.6 mt -142.34 101.62 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.558 0.799 . . . . 10.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.507 HG23 ' HB3' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -117.29 149.58 19.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 10.0 109.28 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.417 ' N ' HG12 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -132.96 162.45 31.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.11 . . . . 10.0 109.278 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.841 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 1.8 m-85 -129.92 106.59 8.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 10.0 111.009 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -103.72 145.19 30.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 10.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 -147.26 84.63 1.58 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 10.0 110.32 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.0 mtmt -74.73 57.45 0.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 10.0 109.313 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.492 ' O ' ' CB ' ' A' ' 25' ' ' SER . 0.0 OUTLIER -155.96 -45.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 10.0 110.282 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 0.4 OUTLIER 84.49 -11.5 0.81 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.569 1.168 . . . . 10.0 110.04 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 33.0 p-10 -158.92 27.39 0.22 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 10.0 109.285 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -127.59 -147.47 6.63 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.507 1.13 . . . . 10.0 110.995 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.447 ' HA ' ' O ' ' A' ' 101' ' ' ASP . 18.3 Cg_endo -75.01 150.93 38.84 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.525 1.803 . . . . 10.0 111.041 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.8 t -111.68 110.32 31.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 10.0 109.332 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.2 mttm -69.53 95.55 0.84 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 10.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.795 HG13 ' CE1' ' A' ' 20' ' ' PHE . 70.4 t -87.37 134.21 28.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 10.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -164.32 155.96 16.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 10.0 107.973 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.443 ' O ' ' HA ' ' A' ' 96' ' ' ASP . . . 178.79 -169.84 41.47 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.529 1.143 . . . . 10.0 111.011 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 26.5 p -157.27 122.29 4.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 0.756 . . . . 10.0 109.977 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.788 HD13 ' CZ ' ' A' ' 45' ' ' PHE . 0.1 OUTLIER -83.34 166.34 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 10.0 109.227 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.51 ' N ' HG23 ' A' ' 35' ' ' ILE . 32.7 mttt -156.28 115.14 3.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 10.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 138.79 -47.86 0.9 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.513 1.133 . . . . 10.0 110.969 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.908 HD22 ' ND1' ' A' ' 43' ' ' HIS . 0.4 OUTLIER -54.1 -170.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 0.791 . . . . 10.0 109.301 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 40' ' ' GLU . 36.0 p -135.89 143.77 45.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 10.0 110.416 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.754 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -38.06 124.39 1.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 10.0 110.267 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.532 ' O ' ' CD2' ' A' ' 43' ' ' HIS . . . 147.4 169.3 14.66 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.493 1.121 . . . . 10.0 110.972 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.759 ' O ' ' HB2' ' A' ' 123' ' ' ALA . 0.3 OUTLIER -70.19 127.55 33.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 0.747 . . . . 10.0 109.307 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.908 ' ND1' HD22 ' A' ' 38' ' ' LEU . 21.1 m170 -112.08 175.28 5.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 10.0 109.594 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -120.03 81.39 0.33 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.482 1.114 . . . . 10.0 111.012 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.819 ' HB3' HD12 ' A' ' 117' ' ' LEU . 9.1 m-30 -89.78 136.3 33.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 0.755 . . . . 10.0 110.969 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.541 ' CE1' ' NE2' ' A' ' 120' ' ' HIS . 15.9 p80 172.79 175.45 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 10.0 109.625 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.485 HG12 ' N ' ' A' ' 48' ' ' HIS . 58.0 t -71.41 165.31 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 10.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.679 ' HB3' HG21 ' A' ' 118' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 10.0 109.605 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 83' ' ' ASP . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.031 -0.828 . . . . 10.0 111.031 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.424 ' C ' ' O ' ' A' ' 82' ' ' GLY . 3.4 t0 38.63 -154.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 0.775 . . . . 10.0 109.321 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.445 ' HG ' HD11 ' A' ' 117' ' ' LEU . 0.2 OUTLIER 75.72 -79.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 10.0 109.294 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 105.23 -113.89 4.44 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.519 1.137 . . . . 10.0 110.998 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.452 ' N ' ' OD1' ' A' ' 86' ' ' ASN . 0.2 OUTLIER -125.55 144.18 50.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 0.763 . . . . 10.0 109.304 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.452 HG12 ' N ' ' A' ' 88' ' ' THR . 39.0 t -115.17 164.67 11.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 10.0 109.312 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.452 ' N ' HG12 ' A' ' 87' ' ' VAL . 3.2 m -123.34 139.36 54.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 10.0 110.407 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.754 ' HB3' ' HA ' ' A' ' 40' ' ' GLU . . . -84.96 174.88 9.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 10.0 109.345 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.451 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 13.2 t0 -85.27 -97.08 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 10.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.451 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 8.7 pttt -137.7 11.84 2.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 10.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -155.2 24.88 0.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 10.0 109.292 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.485 ' CA ' ' HB1' ' A' ' 89' ' ' ALA . . . 89.76 -33.06 4.54 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.474 1.109 . . . . 10.0 111.046 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.516 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 23.4 t -40.16 101.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.459 0.74 . . . . 10.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -106.86 118.18 36.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 10.0 109.266 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.443 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 0.9 OUTLIER -110.3 147.32 34.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 10.0 109.287 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.477 HG12 ' N ' ' A' ' 98' ' ' SER . 61.7 t -125.27 164.29 24.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 10.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.477 ' N ' HG12 ' A' ' 97' ' ' VAL . 24.5 p -172.31 92.54 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 10.0 110.007 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 7.5 mt -132.07 150.67 33.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 10.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -132.29 89.89 2.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 10.0 110.303 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.447 ' O ' ' HA ' ' A' ' 28' ' ' PRO . 0.3 OUTLIER -100.68 143.29 31.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 10.0 109.29 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.426 ' CA ' ' HB3' ' A' ' 28' ' ' PRO . 6.4 p -114.25 62.97 0.66 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 10.0 110.027 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 70.7 t -145.24 -51.58 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 10.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.494 ' CG1' HG21 ' A' ' 112' ' ' ILE . 0.1 OUTLIER -61.53 177.98 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 10.0 109.29 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 47.3 t -158.64 151.53 22.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 10.0 109.983 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.632 HD23 HD11 ' A' ' 151' ' ' ILE . 1.6 mp -66.56 -42.51 86.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 10.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 52.1 m -146.59 102.75 3.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.142 . . . . 10.0 109.984 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -176.05 -140.86 3.62 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.554 1.158 . . . . 10.0 111.001 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.91 -45.75 56.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 0.751 . . . . 10.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 8.4 m80 -101.51 50.93 0.85 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 10.0 109.553 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 5.0 t -51.96 123.01 9.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 10.0 110.005 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.565 HD13 ' CE2' ' A' ' 20' ' ' PHE . 2.2 pp -87.21 -25.55 6.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 10.0 109.341 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.586 HD11 HG12 ' A' ' 151' ' ' ILE . 12.1 mm -51.16 146.26 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 10.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 85.25 -12.77 57.57 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.511 1.132 . . . . 10.0 111.018 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.747 ' O ' HD12 ' A' ' 149' ' ' ILE . 8.4 ptm180 -83.93 131.7 34.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 0.759 . . . . 10.0 110.284 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.456 HG23 HG23 ' A' ' 118' ' ' VAL . 0.0 OUTLIER -128.05 153.63 46.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 10.0 110.425 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.819 HD12 ' HB3' ' A' ' 45' ' ' PHE . 4.5 mm? -94.45 58.89 2.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 10.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.703 HG13 ' O ' ' A' ' 145' ' ' ALA . 16.1 t -53.21 124.07 5.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 10.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 1.034 HG23 HD12 ' A' ' 144' ' ' LEU . 12.4 m -75.16 -178.3 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 10.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' HIS . . . . . 0.541 ' NE2' ' CE1' ' A' ' 46' ' ' HIS . 1.9 m-70 -141.23 157.0 45.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 10.0 109.602 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.54 -11.76 26.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 10.0 110.349 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -170.99 -168.29 0.64 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 10.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.759 ' HB2' ' O ' ' A' ' 42' ' ' LEU . . . -113.03 -176.82 2.99 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.553 1.158 . . . . 10.0 109.316 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 32.9 t0 -106.24 7.39 31.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 10.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 51.13 38.14 20.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 10.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 12.4 mt 58.34 20.45 7.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 10.0 109.328 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 113.71 120.64 3.61 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.495 1.122 . . . . 10.0 111.016 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 12.4 mttm -95.79 34.47 1.51 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 0.779 . . . . 10.0 109.346 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 90.39 -11.77 70.25 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.486 1.116 . . . . 10.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 97.76 115.44 3.4 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.96 -0.856 . . . . 10.0 110.96 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 131' ' ' ASN . . . . . 0.696 ' N ' HG23 ' A' ' 135' ' ' THR . 28.7 m-20 -145.82 152.81 40.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 0.753 . . . . 10.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -49.99 -19.56 0.74 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 10.0 110.284 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 133' ' ' GLN . . . . . 0.41 ' N ' ' C ' ' A' ' 131' ' ' ASN . 1.2 tt0 -101.32 -29.59 11.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 10.0 110.278 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 134' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 137' ' ' THR . 3.7 m -85.88 -53.08 5.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 10.0 110.038 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 135' ' ' THR . . . . . 0.696 HG23 ' N ' ' A' ' 131' ' ' ASN . 74.5 p -44.6 -24.69 0.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.572 1.17 . . . . 10.0 110.404 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.447 ' HG3' ' N ' ' A' ' 137' ' ' THR . 0.1 OUTLIER -99.02 -33.16 10.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 10.0 109.278 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 137' ' ' THR . . . . . 0.459 ' OG1' ' N ' ' A' ' 138' ' ' GLY . 69.8 p -146.21 -102.4 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 10.0 110.415 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 138' ' ' GLY . . . . . 0.459 ' N ' ' OG1' ' A' ' 137' ' ' THR . . . -169.84 39.16 0.2 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.545 1.153 . . . . 10.0 110.974 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 55.86 19.17 3.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 0.763 . . . . 10.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -144.77 26.7 1.38 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.128 . . . . 10.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 141' ' ' GLY . . . . . 0.51 ' HA2' ' CE1' ' A' ' 120' ' ' HIS . . . -71.12 75.64 0.62 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.528 1.143 . . . . 10.0 111.001 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.44 79.46 1.89 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 0.775 . . . . 10.0 109.995 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 143' ' ' ARG . . . . . 0.512 ' HB3' HG11 ' A' ' 118' ' ' VAL . 0.0 OUTLIER -43.01 165.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 10.0 110.295 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 1.034 HD12 HG23 ' A' ' 119' ' ' VAL . 21.3 mt -146.98 -76.34 0.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 10.0 109.352 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 145' ' ' ALA . . . . . 0.703 ' O ' HG13 ' A' ' 118' ' ' VAL . . . -98.01 168.12 10.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 10.0 109.282 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 146' ' ' CYS . . . . . 0.85 ' O ' HG23 ' A' ' 148' ' ' VAL . 2.6 p -155.68 67.1 0.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 10.0 108.322 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 147' ' ' GLY . . . . . 0.542 ' O ' ' HB ' ' A' ' 148' ' ' VAL . . . -45.57 -68.41 1.01 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.523 1.139 . . . . 10.0 111.013 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.85 HG23 ' O ' ' A' ' 146' ' ' CYS . 15.2 t 85.27 100.01 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 0.772 . . . . 10.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 149' ' ' ILE . . . . . 0.909 ' HA ' ' HB2' ' A' ' 6' ' ' ALA . 2.7 mp -58.53 121.63 6.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 10.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -130.43 138.05 9.93 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.49 1.119 . . . . 10.0 111.037 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 151' ' ' ILE . . . . . 0.81 HG23 HG22 ' A' ' 2' ' ' THR . 29.6 mm -54.11 149.99 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.53 0.782 . . . . 10.0 109.351 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -149.57 175.05 11.87 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.526 1.141 . . . . 10.0 109.326 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 10.0 110.309 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.692 HG23 ' CD1' ' A' ' 151' ' ' ILE . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.374 -0.232 . . . . 10.0 110.374 . . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -125.03 104.26 8.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 10.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 1.014 ' HB1' HG23 ' A' ' 149' ' ' ILE . . . -85.67 152.7 22.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 10.0 109.337 179.956 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.421 ' O ' ' HA ' ' A' ' 149' ' ' ILE . 7.0 t -128.71 160.4 39.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 10.0 109.335 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.814 ' HB3' HG23 ' A' ' 18' ' ' ILE . . . -154.18 87.76 1.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 10.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.685 ' O ' HG23 ' A' ' 7' ' ' VAL . 19.1 m -83.7 79.17 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 10.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 1.023 HD12 ' HA3' ' A' ' 147' ' ' GLY . 3.4 mp -42.46 126.76 3.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 10.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.35 -82.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 10.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.66 ' HA2' ' HB2' ' A' ' 145' ' ' ALA . . . 113.13 121.9 3.85 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.498 1.124 . . . . 10.0 110.966 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.43 ' HB2' HD23 ' A' ' 144' ' ' LEU . 9.7 t0 -53.85 -25.93 22.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 0.771 . . . . 10.0 109.259 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -150.1 -98.77 0.19 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.554 1.159 . . . . 10.0 111.016 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 14' ' ' VAL . 18.5 Cg_endo -74.95 -33.39 4.69 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.479 1.779 . . . . 10.0 110.993 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.435 ' HB ' ' CA ' ' A' ' 10' ' ' GLY . 52.8 t -39.81 144.79 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 10.0 109.29 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 174.26 76.85 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 10.0 110.262 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.48 ' CA ' ' HA ' ' A' ' 35' ' ' ILE . . . -92.26 159.95 25.56 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.506 1.129 . . . . 10.0 110.961 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 35.9 mt -129.82 97.57 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.505 0.768 . . . . 10.0 109.274 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.814 HG23 ' HB3' ' A' ' 6' ' ' ALA . 0.1 OUTLIER -108.97 132.03 58.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 10.0 109.278 179.992 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.742 ' N ' HD12 ' A' ' 18' ' ' ILE . 0.2 OUTLIER -124.58 143.29 50.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.158 . . . . 10.0 109.254 -179.989 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.972 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 5.5 m-85 -111.09 118.96 37.44 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.528 1.143 . . . . 10.0 111.014 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -109.48 133.22 53.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 10.0 110.277 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.513 ' HB2' HG13 ' A' ' 29' ' ' VAL . 51.8 tt0 -143.57 102.22 3.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.576 1.173 . . . . 10.0 110.242 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.36 35.12 0.93 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 10.0 109.269 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -156.69 150.86 25.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 10.0 110.312 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 21.7 m -89.26 -3.82 58.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 10.0 109.956 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 14.3 p30 -165.87 32.68 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 10.0 109.331 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -113.24 -155.75 11.95 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.498 1.124 . . . . 10.0 111.032 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.438 ' HA ' ' O ' ' A' ' 101' ' ' ASP . 18.4 Cg_endo -74.99 165.97 30.21 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.489 1.784 . . . . 10.0 111.001 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.615 HG11 HD11 ' A' ' 106' ' ' LEU . 14.0 t -131.24 102.36 6.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 10.0 109.281 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.2 mttt -64.35 95.3 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 10.0 109.318 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.474 HG22 ' CD2' ' A' ' 20' ' ' PHE . 72.8 t -96.74 125.17 49.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 10.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.42 ' HA ' ' O ' ' A' ' 97' ' ' VAL . 7.7 p90 -153.21 149.46 28.0 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.013 -1.106 . . . . 10.0 108.013 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.45 ' O ' ' HA ' ' A' ' 96' ' ' ASP . . . -166.99 -173.35 35.2 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.504 1.127 . . . . 10.0 110.995 179.924 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 58.3 p -157.77 118.37 3.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.44 0.729 . . . . 10.0 109.985 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.655 ' HB ' ' HB3' ' A' ' 95' ' ' ALA . 0.2 OUTLIER -84.6 163.51 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 10.0 109.297 -179.995 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.454 ' N ' HG23 ' A' ' 35' ' ' ILE . 34.1 mttt -149.02 105.43 3.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 10.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.451 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 138.22 -38.33 1.71 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.494 1.121 . . . . 10.0 111.01 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.765 HD12 ' CG ' ' A' ' 43' ' ' HIS . 0.3 OUTLIER -53.91 -168.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 0.763 . . . . 10.0 109.294 179.969 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.423 ' O ' ' C ' ' A' ' 40' ' ' GLU . 11.3 p -151.85 145.34 24.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 10.0 110.406 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.664 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 2.4 tt0 -36.88 115.1 0.35 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 10.0 110.32 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.44 ' O ' ' NE2' ' A' ' 43' ' ' HIS . . . 143.16 168.55 12.04 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.522 1.139 . . . . 10.0 111.0 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 1.019 HD23 ' CG ' ' A' ' 86' ' ' ASN . 4.2 mp -66.52 156.79 33.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 0.741 . . . . 10.0 109.244 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.765 ' CG ' HD12 ' A' ' 38' ' ' LEU . 9.6 m80 -140.14 77.69 1.62 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 10.0 109.614 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 43' ' ' HIS . . . 34.64 -143.14 0.07 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.432 1.082 . . . . 10.0 110.997 -179.952 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.421 ' O ' ' O ' ' A' ' 46' ' ' HIS . 18.0 m-85 -141.44 112.46 7.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 0.758 . . . . 10.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.587 ' HD1' HG23 ' A' ' 47' ' ' VAL . 10.3 p80 -46.19 172.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 10.0 109.574 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.587 HG23 ' HD1' ' A' ' 46' ' ' HIS . 75.3 t 66.2 135.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 10.0 109.291 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.469 ' NE2' HG21 ' A' ' 116' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.142 . . . . 10.0 109.636 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 83' ' ' ASP . . . . . . . . 0 CA--C 1.531 1.056 0 N-CA-C 110.984 -0.847 . . . . 10.0 110.984 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 82' ' ' GLY . 11.2 t70 39.11 87.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 0.789 . . . . 10.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.44 HD22 ' HA ' ' A' ' 84' ' ' LEU . 0.2 OUTLIER -167.17 -55.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 10.0 109.309 179.981 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 120.76 -174.51 15.78 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.47 1.106 . . . . 10.0 110.991 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 1.019 ' CG ' HD23 ' A' ' 42' ' ' LEU . 9.1 p30 -84.38 130.29 34.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 0.783 . . . . 10.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.521 HG23 ' HB2' ' A' ' 43' ' ' HIS . 24.9 m -84.32 128.33 38.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.154 . . . . 10.0 109.285 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.4 ' HA ' ' O ' ' A' ' 41' ' ' GLY . 15.6 m -110.37 153.54 24.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 10.0 110.421 179.928 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.664 ' HB3' ' HA ' ' A' ' 40' ' ' GLU . . . -84.56 175.26 9.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 10.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.429 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 11.1 t0 -84.83 -97.09 0.06 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 10.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.429 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 37.2 pttt -134.21 7.09 3.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 10.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -156.55 24.71 0.34 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 10.0 109.298 -179.939 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.624 ' CA ' ' HB1' ' A' ' 89' ' ' ALA . . . 96.8 -42.29 2.22 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.516 1.135 . . . . 10.0 110.962 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.474 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 20.7 t -40.64 98.61 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.489 0.758 . . . . 10.0 109.307 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.655 ' HB3' ' HB ' ' A' ' 35' ' ' ILE . . . -95.89 111.35 23.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 10.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.45 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 2.0 t70 -99.64 155.26 17.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 10.0 109.254 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.461 HG13 HD12 ' A' ' 99' ' ' ILE . 72.5 t -131.23 153.58 39.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 10.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 80.0 p -174.45 88.06 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 10.0 110.01 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.504 HG22 ' N ' ' A' ' 100' ' ' GLU . 2.7 mp -135.72 165.45 29.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 10.0 109.256 -179.953 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.504 ' N ' HG22 ' A' ' 99' ' ' ILE . 0.0 OUTLIER -125.49 94.58 4.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 10.0 110.352 179.975 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.438 ' O ' ' HA ' ' A' ' 28' ' ' PRO . 3.1 m-20 -94.5 132.99 38.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 10.0 109.299 -179.964 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 21.9 p -123.26 -45.89 2.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 10.0 109.984 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 89.6 t -45.43 -43.67 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 10.0 109.342 179.951 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.747 ' C ' HD12 ' A' ' 104' ' ' ILE . 1.8 pp -71.32 178.1 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.102 . . . . 10.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 105' ' ' SER . . . . . 0.612 ' O ' HG23 ' A' ' 112' ' ' ILE . 0.4 OUTLIER -154.82 146.96 23.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 10.0 110.016 179.99 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.988 HD23 HD11 ' A' ' 113' ' ' ILE . 4.0 mp -77.32 -36.95 53.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.09 . . . . 10.0 109.261 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -151.94 68.84 0.89 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 10.0 109.978 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -139.37 -115.92 1.32 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.552 1.157 . . . . 10.0 111.002 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.87 -8.48 21.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 0.766 . . . . 10.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 68.4 m80 -105.45 -50.73 3.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 10.0 109.63 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.2 t 54.03 92.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 10.0 109.985 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.612 HG23 ' O ' ' A' ' 105' ' ' SER . 0.7 OUTLIER -103.01 -8.03 9.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 10.0 109.245 -179.962 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.988 HD11 HD23 ' A' ' 106' ' ' LEU . 11.2 mm -49.21 116.41 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 10.0 109.307 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 100.48 42.09 2.61 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.475 1.11 . . . . 10.0 110.981 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.671 HH22 HG21 ' A' ' 104' ' ' ILE . 2.6 mtt180 -84.25 83.43 7.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 0.773 . . . . 10.0 110.298 -179.973 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.876 HG23 HG22 ' A' ' 148' ' ' VAL . 0.4 OUTLIER -42.34 94.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 10.0 110.374 -179.988 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.541 ' O ' HD21 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -81.79 69.49 8.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 10.0 109.299 179.993 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.881 HG12 ' HA ' ' A' ' 146' ' ' CYS . 2.7 m -101.25 175.99 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 10.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.705 HG21 HD21 ' A' ' 38' ' ' LEU . 10.5 m -142.76 149.45 18.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 10.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 120' ' ' HIS . . . . . 0.494 ' CE1' ' CA ' ' A' ' 141' ' ' GLY . 3.9 m-70 -86.11 168.63 13.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 10.0 109.626 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -90.66 20.56 4.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.169 . . . . 10.0 110.316 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.595 ' HB3' ' HB1' ' A' ' 140' ' ' ALA . 0.0 OUTLIER -177.75 155.56 1.03 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 10.0 109.264 179.989 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.683 ' HB1' ' HB2' ' A' ' 42' ' ' LEU . . . -69.32 155.23 40.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 10.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.522 ' O ' ' CB ' ' A' ' 125' ' ' ASP . 0.2 OUTLIER -45.91 -91.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 10.0 109.284 -179.994 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 125' ' ' ASP . . . . . 0.522 ' CB ' ' O ' ' A' ' 124' ' ' ASP . 3.9 m-20 154.49 -24.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 10.0 109.336 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.1 mt 52.34 21.86 1.84 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 10.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -99.45 75.86 0.49 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.493 1.12 . . . . 10.0 110.996 -180.0 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.7 -24.72 9.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 0.756 . . . . 10.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -41.22 -48.45 4.5 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.469 1.106 . . . . 10.0 111.031 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -55.85 -172.46 0.13 Allowed Glycine 0 CA--C 1.531 1.033 0 N-CA-C 110.967 -0.853 . . . . 10.0 110.967 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 131' ' ' ASN . . . . . 0.447 ' O ' ' N ' ' A' ' 133' ' ' GLN . 68.8 m-80 -153.77 139.7 18.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 0.779 . . . . 10.0 109.245 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 131' ' ' ASN . 2.0 mp0 38.17 30.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 10.0 110.292 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 133' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 131' ' ' ASN . 0.0 OUTLIER -140.98 -72.97 0.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 10.0 110.323 179.959 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 134' ' ' SER . . . . . 0.485 ' HA ' ' CA ' ' A' ' 138' ' ' GLY . 23.6 p -95.47 -12.58 25.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 10.0 109.996 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 19.0 p -79.99 -9.59 59.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 10.0 110.384 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.38 -37.66 3.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 10.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 45.8 p -126.81 -77.84 0.58 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.122 . . . . 10.0 110.434 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 138' ' ' GLY . . . . . 0.485 ' CA ' ' HA ' ' A' ' 134' ' ' SER . . . 156.73 43.94 0.02 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.472 1.108 . . . . 10.0 110.987 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 53.1 t-20 40.25 31.07 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 0.767 . . . . 10.0 109.306 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.595 ' HB1' ' HB3' ' A' ' 122' ' ' LYS . . . -162.96 52.45 0.18 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 10.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 141' ' ' GLY . . . . . 0.494 ' CA ' ' CE1' ' A' ' 120' ' ' HIS . . . -102.23 88.66 0.69 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.468 1.105 . . . . 10.0 110.987 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 142' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 143' ' ' ARG . 0.2 OUTLIER -125.76 76.91 1.62 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 0.758 . . . . 10.0 110.042 179.974 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 143' ' ' ARG . . . . . 0.431 ' NH1' ' HB2' ' A' ' 143' ' ' ARG . 0.0 OUTLIER -37.88 155.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 10.0 110.319 -179.971 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.43 HD23 ' HB2' ' A' ' 11' ' ' ASP . 2.2 mt -132.66 -86.33 0.46 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 10.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 145' ' ' ALA . . . . . 0.66 ' HB2' ' HA2' ' A' ' 10' ' ' GLY . . . -77.88 169.77 17.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 10.0 109.272 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 146' ' ' CYS . . . . . 0.881 ' HA ' HG12 ' A' ' 118' ' ' VAL . 0.8 OUTLIER -156.91 70.35 0.63 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 10.0 108.273 -179.975 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 147' ' ' GLY . . . . . 1.023 ' HA3' HD12 ' A' ' 8' ' ' LEU . . . -68.95 -58.42 6.81 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.517 1.136 . . . . 10.0 110.967 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.876 HG22 HG23 ' A' ' 116' ' ' THR . 58.1 t 68.46 151.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 0.749 . . . . 10.0 109.314 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 149' ' ' ILE . . . . . 1.014 HG23 ' HB1' ' A' ' 4' ' ' ALA . 0.8 OUTLIER -87.84 137.47 20.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 10.0 109.281 -179.992 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 150' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 151' ' ' ILE . . . -147.5 111.31 0.55 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.478 1.111 . . . . 10.0 110.998 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 151' ' ' ILE . . . . . 0.692 ' CD1' HG23 ' A' ' 2' ' ' THR . 16.4 mm -38.48 141.39 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.535 0.785 . . . . 10.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -144.13 162.1 37.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 10.0 109.29 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 10.0 110.296 -179.975 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.811 HG22 HD12 ' A' ' 151' ' ' ILE . 1.7 m . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.359 -0.237 . . . . 10.0 110.359 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.4 ttmt -121.21 142.09 50.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 10.0 109.281 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.993 ' HB3' ' HB2' ' A' ' 20' ' ' PHE . . . -118.6 159.59 23.31 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.457 1.098 . . . . 10.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.639 HG23 ' HB3' ' A' ' 152' ' ' ALA . 2.7 t -134.88 158.27 41.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 10.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.803 ' HB1' ' O ' ' A' ' 147' ' ' GLY . . . -155.66 93.01 1.43 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 10.0 109.291 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.416 ' O ' ' C ' ' A' ' 8' ' ' LEU . 53.8 t -81.38 98.69 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 10.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.666 HD22 ' HA3' ' A' ' 147' ' ' GLY . 1.1 mm? -39.2 152.46 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 10.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.7 tttt -175.91 107.93 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 10.0 109.277 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 11' ' ' ASP . . . -153.62 -108.31 0.33 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.531 1.144 . . . . 10.0 111.031 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 10' ' ' GLY . 13.2 t0 -39.55 -60.94 0.88 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 0.745 . . . . 10.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.511 ' N ' ' CD ' ' A' ' 13' ' ' PRO . . . 160.53 -50.32 0.37 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.491 1.12 . . . . 10.0 110.986 -180.0 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.511 ' CD ' ' N ' ' A' ' 12' ' ' GLY . 18.4 Cg_endo -75.04 -42.27 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.49 1.784 . . . . 10.0 110.99 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.672 HG22 HD13 ' A' ' 38' ' ' LEU . 43.3 t -59.76 89.56 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 10.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -115.74 42.07 2.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 10.0 110.271 -179.972 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.507 ' N ' ' HB2' ' A' ' 8' ' ' LEU . . . -52.56 166.29 1.22 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.461 1.101 . . . . 10.0 111.021 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 31.1 mt -141.87 97.03 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.47 0.747 . . . . 10.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.79 HD13 ' C ' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -114.58 139.43 40.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 10.0 109.302 179.98 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.499 ' N ' HD13 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -134.07 163.59 29.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 10.0 109.266 -179.997 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.993 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 3.5 m-30 -114.8 130.16 56.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 10.0 110.999 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.403 ' HB2' ' CH2' ' A' ' 32' ' ' TRP . 1.1 tp10 -116.85 131.29 56.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 10.0 110.307 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.422 ' HG3' HG22 ' A' ' 29' ' ' VAL . 1.7 tt0 -155.12 71.13 0.78 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.115 . . . . 10.0 110.288 -179.959 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.1 mtpt -83.25 51.55 1.99 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 10.0 109.305 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.407 ' HB3' ' N ' ' A' ' 27' ' ' GLY . 5.2 mm-40 -155.33 141.23 18.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 10.0 110.269 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 28.8 m -81.53 -13.97 57.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 10.0 109.992 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -151.69 34.23 0.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 10.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.407 ' N ' ' HB3' ' A' ' 24' ' ' GLU . . . -113.07 177.63 18.26 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.471 1.107 . . . . 10.0 111.001 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.492 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 18.4 Cg_endo -75.0 173.15 15.0 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.527 1.804 . . . . 10.0 111.027 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.422 HG22 ' HG3' ' A' ' 22' ' ' GLN . 23.6 t -113.96 95.88 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 10.0 109.287 -179.959 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.1 mttp -65.89 90.08 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 10.0 109.335 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.818 HG22 ' CD1' ' A' ' 20' ' ' PHE . 19.7 t -88.46 130.91 37.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 10.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.403 ' CH2' ' HB2' ' A' ' 21' ' ' GLU . 6.6 p90 -151.05 160.02 44.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 10.0 108.015 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -173.25 -173.12 39.36 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.527 1.142 . . . . 10.0 111.013 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.8 p -156.44 123.05 5.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 0.735 . . . . 10.0 110.011 179.973 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 1.094 ' CG2' HD21 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -87.06 165.16 2.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 10.0 109.305 -179.99 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.488 ' N ' HG23 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -160.08 108.88 1.73 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 10.0 109.278 -180.0 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.459 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 157.92 -63.68 0.31 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.479 1.112 . . . . 10.0 111.04 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 1.094 HD21 ' CG2' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -54.68 -165.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 0.74 . . . . 10.0 109.302 179.988 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 57.7 p -134.68 160.77 37.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 10.0 110.434 179.965 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.654 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 0.8 OUTLIER -40.11 129.77 2.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 10.0 110.25 -179.97 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 136.38 173.49 12.97 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.493 1.121 . . . . 10.0 110.954 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.763 ' HB2' ' HB1' ' A' ' 123' ' ' ALA . 5.3 mp -63.68 162.27 13.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 0.756 . . . . 10.0 109.337 179.958 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.476 ' CE1' ' HB2' ' A' ' 38' ' ' LEU . 85.9 m-70 -155.09 128.07 8.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.427 1.079 . . . . 10.0 109.614 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 43' ' ' HIS . . . -37.18 154.02 0.01 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.488 1.117 . . . . 10.0 111.022 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.606 ' CD2' ' O ' ' A' ' 83' ' ' ASP . 3.9 t80 -86.14 155.98 20.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 0.766 . . . . 10.0 110.995 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.719 ' C ' HG23 ' A' ' 47' ' ' VAL . 7.5 p80 -65.28 175.21 1.76 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 10.0 109.613 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.719 HG23 ' C ' ' A' ' 46' ' ' HIS . 2.2 t 80.77 94.1 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 10.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.5 ' CG ' ' O ' ' A' ' 48' ' ' HIS . 14.6 p-80 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 10.0 109.561 -179.948 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 110.997 -0.841 . . . . 10.0 110.997 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.606 ' O ' ' CD2' ' A' ' 45' ' ' PHE . 15.7 m-20 -80.25 -68.08 0.71 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 0.764 . . . . 10.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.488 ' CB ' ' O ' ' A' ' 83' ' ' ASP . 0.2 OUTLIER 87.2 -67.6 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.112 . . . . 10.0 109.326 -179.971 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -146.14 -141.52 3.63 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.47 1.106 . . . . 10.0 110.997 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -146.1 170.83 15.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 0.781 . . . . 10.0 109.338 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.404 ' O ' ' HA ' ' A' ' 42' ' ' LEU . 33.1 m -126.17 157.46 36.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 10.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 4.4 m -111.02 147.78 34.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 10.0 110.406 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.654 ' HB3' ' HA ' ' A' ' 40' ' ' GLU . . . -84.71 168.3 15.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 10.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.448 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 25.4 t0 -72.88 -100.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.155 . . . . 10.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.448 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 31.2 pttt -134.7 6.21 3.45 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 10.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -149.69 19.35 0.91 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 10.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.584 ' CA ' ' HB1' ' A' ' 89' ' ' ALA . . . 103.25 -46.92 1.15 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.533 1.145 . . . . 10.0 111.009 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.549 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 53.7 t -36.02 111.62 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.533 0.784 . . . . 10.0 109.311 -179.957 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -116.78 123.29 46.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 10.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -109.34 145.55 35.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 10.0 109.273 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.403 ' O ' ' HA ' ' A' ' 32' ' ' TRP . 28.7 t -120.41 160.31 21.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.148 . . . . 10.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.4 t -165.41 95.78 0.66 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 10.0 110.03 179.963 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.3 mt -121.65 148.65 24.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 10.0 109.271 -179.969 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -129.07 90.97 3.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.166 . . . . 10.0 110.287 179.981 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.492 ' O ' ' CB ' ' A' ' 28' ' ' PRO . 80.0 m-20 -105.21 148.21 27.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 10.0 109.321 179.936 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.2 p -115.86 -36.83 4.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 10.0 110.008 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 73.4 t -53.38 -48.16 57.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 10.0 109.333 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.638 HD13 HD13 ' A' ' 112' ' ' ILE . 2.8 pp -64.1 171.97 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.491 1.119 . . . . 10.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -159.81 166.01 31.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 10.0 110.015 -179.957 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.904 HD23 HD11 ' A' ' 113' ' ' ILE . 1.5 mp -77.81 -37.54 48.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 10.0 109.296 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -149.13 118.44 6.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 10.0 110.0 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 171.02 -121.5 0.91 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.516 1.135 . . . . 10.0 110.949 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -92.31 -32.63 14.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 0.775 . . . . 10.0 109.286 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 -87.71 -61.23 1.76 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 10.0 109.618 -179.98 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.7 p 58.04 103.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.571 1.169 . . . . 10.0 110.013 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.696 HD12 ' CE2' ' A' ' 20' ' ' PHE . 44.1 pt -97.56 -17.69 6.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 10.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.904 HD11 HD23 ' A' ' 106' ' ' LEU . 14.6 mm -59.59 117.01 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 10.0 109.255 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 108.94 26.0 5.43 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.478 1.111 . . . . 10.0 110.992 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.602 ' O ' HD12 ' A' ' 149' ' ' ILE . 5.7 mtt180 -86.85 76.88 9.37 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 0.759 . . . . 10.0 110.329 179.999 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.521 ' OG1' HG22 ' A' ' 148' ' ' VAL . 31.0 m -45.33 93.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 10.0 110.386 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.854 HD12 HD11 ' A' ' 149' ' ' ILE . 0.1 OUTLIER -69.26 143.9 53.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 10.0 109.302 179.975 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.573 HG21 ' HB2' ' A' ' 143' ' ' ARG . 7.5 p -158.43 166.85 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 10.0 109.317 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.618 ' CG2' HG11 ' A' ' 14' ' ' VAL . 2.1 m -136.4 160.33 37.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 10.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -88.62 -167.02 1.75 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 10.0 109.586 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.466 ' CA ' HD21 ' A' ' 144' ' ' LEU . 0.5 OUTLIER -105.55 -39.9 5.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 10.0 110.357 179.979 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.09 178.28 5.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 10.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.763 ' HB1' ' HB2' ' A' ' 42' ' ' LEU . . . -80.01 161.35 25.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 10.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.457 ' CG ' ' HB2' ' A' ' 140' ' ' ALA . 0.2 OUTLIER -94.55 91.04 6.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 10.0 109.354 179.936 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -62.11 -24.97 67.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.105 . . . . 10.0 109.315 -179.958 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 30.9 mt 58.63 19.17 6.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 10.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 158.34 116.07 0.46 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.553 1.158 . . . . 10.0 110.957 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.82 -35.19 5.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 0.749 . . . . 10.0 109.327 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 149.97 -45.8 0.66 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.47 1.106 . . . . 10.0 111.001 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -87.47 159.88 31.18 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 110.954 -0.858 . . . . 10.0 110.954 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 131' ' ' ASN . . . . . 0.517 ' O ' ' CB ' ' A' ' 132' ' ' GLU . 5.4 m-80 -112.9 111.39 22.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 0.748 . . . . 10.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.517 ' CB ' ' O ' ' A' ' 131' ' ' ASN . 1.4 mt-10 159.85 -22.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 10.0 110.297 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 133' ' ' GLN . . . . . 0.443 ' O ' ' CG ' ' A' ' 136' ' ' LYS . 0.8 OUTLIER -110.67 -64.83 1.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 10.0 110.334 179.989 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 134' ' ' SER . . . . . 0.502 ' HA ' ' CA ' ' A' ' 138' ' ' GLY . 0.3 OUTLIER -69.49 -27.03 64.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 10.0 110.028 179.955 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 135' ' ' THR . . . . . 0.509 ' OG1' ' N ' ' A' ' 132' ' ' GLU . 7.0 p -76.28 -13.87 60.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 10.0 110.398 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.606 ' HG3' HG23 ' A' ' 137' ' ' THR . 31.1 pttt -105.42 -30.74 9.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 10.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 137' ' ' THR . . . . . 0.606 HG23 ' HG3' ' A' ' 136' ' ' LYS . 74.1 p -137.6 -71.68 0.43 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 10.0 110.388 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 138' ' ' GLY . . . . . 0.502 ' CA ' ' HA ' ' A' ' 134' ' ' SER . . . 144.32 43.53 0.05 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.457 1.098 . . . . 10.0 110.99 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 1.6 m120 47.57 24.82 0.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 0.771 . . . . 10.0 109.281 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.457 ' HB2' ' CG ' ' A' ' 124' ' ' ASP . . . -64.51 -62.0 1.86 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.539 1.149 . . . . 10.0 109.355 179.951 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 142.07 -119.01 1.37 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.455 1.097 . . . . 10.0 110.982 179.991 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 142' ' ' SER . . . . . 0.848 ' O ' HD23 ' A' ' 144' ' ' LEU . 2.5 t -151.95 122.71 7.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 0.723 . . . . 10.0 110.042 -179.985 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 143' ' ' ARG . . . . . 0.573 ' HB2' HG21 ' A' ' 118' ' ' VAL . 0.0 OUTLIER -42.87 151.14 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 10.0 110.308 179.989 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.848 HD23 ' O ' ' A' ' 142' ' ' SER . 0.4 OUTLIER -162.47 77.49 0.48 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 10.0 109.308 179.978 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 145' ' ' ALA . . . . . 0.682 ' HB2' ' O ' ' A' ' 144' ' ' LEU . . . 162.54 160.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.421 1.076 . . . . 10.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 146' ' ' CYS . . . . . 0.413 ' HA ' ' O ' ' A' ' 117' ' ' LEU . 1.3 m -156.23 65.41 0.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.103 . . . . 10.0 108.251 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 147' ' ' GLY . . . . . 0.803 ' O ' ' HB1' ' A' ' 6' ' ' ALA . . . -79.64 63.73 3.95 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.504 1.127 . . . . 10.0 111.0 179.958 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.521 HG22 ' OG1' ' A' ' 116' ' ' THR . 2.6 t -53.54 127.97 12.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.519 0.776 . . . . 10.0 109.346 179.961 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 149' ' ' ILE . . . . . 0.854 HD11 HD12 ' A' ' 117' ' ' LEU . 3.7 mp -85.07 122.05 37.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 10.0 109.29 -179.966 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -138.14 140.02 10.82 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.494 1.121 . . . . 10.0 110.951 -179.969 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 151' ' ' ILE . . . . . 0.811 HD12 HG22 ' A' ' 2' ' ' THR . 18.5 mm -51.58 144.27 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.522 0.778 . . . . 10.0 109.316 179.926 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 152' ' ' ALA . . . . . 0.639 ' HB3' HG23 ' A' ' 5' ' ' VAL . . . -148.68 160.76 42.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 10.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 10.0 110.332 179.973 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.928 HG21 HD12 ' A' ' 151' ' ' ILE . 93.6 m . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.388 -0.227 . . . . 10.0 110.388 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.583 ' O ' ' HB3' ' A' ' 152' ' ' ALA . 1.7 ttmt -119.15 102.67 8.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 10.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.996 ' HB3' ' HB2' ' A' ' 20' ' ' PHE . . . -83.93 167.98 16.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 10.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.662 HG22 ' HB2' ' A' ' 152' ' ' ALA . 0.1 OUTLIER -154.71 148.95 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 10.0 109.332 -179.975 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.649 ' HB3' ' CG1' ' A' ' 18' ' ' ILE . . . -144.42 104.73 4.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 10.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.458 ' O ' HG13 ' A' ' 7' ' ' VAL . 6.3 p -82.27 87.38 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 10.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.666 HD22 ' HA3' ' A' ' 147' ' ' GLY . 0.7 OUTLIER -39.27 141.99 0.29 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 10.0 109.272 -179.963 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -176.75 121.66 0.14 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 10.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -174.66 -73.71 0.05 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.529 1.143 . . . . 10.0 110.998 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.91 ' CB ' HD12 ' A' ' 144' ' ' LEU . 66.8 t0 -54.6 -41.04 69.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 0.743 . . . . 10.0 109.353 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.422 ' N ' ' CD ' ' A' ' 13' ' ' PRO . . . 124.18 -55.9 0.7 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.524 1.14 . . . . 10.0 110.987 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.422 ' CD ' ' N ' ' A' ' 12' ' ' GLY . 18.3 Cg_endo -74.99 -24.1 13.18 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.524 1.802 . . . . 10.0 111.018 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.517 ' CG1' ' O ' ' A' ' 14' ' ' VAL . 0.3 OUTLIER -90.9 113.12 26.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 10.0 109.273 179.987 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -131.94 49.83 2.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 10.0 110.263 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.48 ' N ' ' HB2' ' A' ' 8' ' ' LEU . . . -61.46 166.93 14.5 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.51 1.131 . . . . 10.0 110.996 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 52.6 mt -141.78 110.16 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.539 0.788 . . . . 10.0 109.266 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.765 HD13 ' CE1' ' A' ' 20' ' ' PHE . 0.6 OUTLIER -97.52 161.13 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 10.0 109.317 179.985 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.702 ' N ' HD12 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -150.94 118.47 6.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 10.0 109.269 -179.969 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.996 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 3.9 m-30 -106.61 98.01 7.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 10.0 111.006 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 30' ' ' LYS . 21.8 tt0 -113.62 135.82 53.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.082 . . . . 10.0 110.293 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.431 ' O ' ' NE2' ' A' ' 22' ' ' GLN . 0.0 OUTLIER -137.59 58.41 1.7 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 10.0 110.327 179.97 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.84 66.13 0.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 10.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.408 ' O ' ' CB ' ' A' ' 25' ' ' SER . 1.7 mm-40 -136.6 -50.11 0.66 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 10.0 110.274 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.408 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 0.1 OUTLIER 79.47 -4.7 1.99 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 10.0 110.007 -179.977 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 19.5 m-20 -163.82 29.24 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 10.0 109.273 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -137.84 -173.9 13.14 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.53 1.144 . . . . 10.0 110.98 -179.967 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.422 ' HA ' ' HA ' ' A' ' 102' ' ' SER . 18.3 Cg_endo -75.03 156.97 42.88 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.473 1.775 . . . . 10.0 111.001 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.3 t -84.34 122.43 37.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 10.0 109.307 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 21' ' ' GLU . 21.2 mttt -75.44 89.36 2.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.128 . . . . 10.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.776 HG13 ' CE1' ' A' ' 20' ' ' PHE . 21.6 t -88.65 126.55 41.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 10.0 109.321 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.56 ' CE2' ' CG ' ' A' ' 19' ' ' ASN . 0.0 OUTLIER -155.95 167.96 28.76 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.002 -1.11 . . . . 10.0 108.002 -179.975 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.469 ' N ' ' CD1' ' A' ' 32' ' ' TRP . . . 178.38 -173.45 45.86 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.515 1.134 . . . . 10.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.7 m -156.03 116.76 3.77 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.466 0.745 . . . . 10.0 109.978 -179.963 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.895 HG21 HD12 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -85.25 161.09 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 10.0 109.272 -179.953 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.437 ' CG ' ' O ' ' A' ' 35' ' ' ILE . 21.8 mttt -153.93 99.06 2.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 10.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 146.65 -35.12 1.32 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.492 1.12 . . . . 10.0 111.019 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.895 HD12 HG21 ' A' ' 35' ' ' ILE . 8.0 mt -53.34 -170.32 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 0.744 . . . . 10.0 109.33 179.942 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.1 p -133.95 130.64 37.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 10.0 110.384 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.722 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -41.47 109.27 0.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 10.0 110.33 179.965 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.441 ' C ' HD13 ' A' ' 42' ' ' LEU . . . 154.03 -144.33 11.12 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.497 1.123 . . . . 10.0 110.99 -179.977 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.885 ' C ' ' HB2' ' A' ' 123' ' ' ALA . 0.2 OUTLIER -97.71 149.96 21.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 0.76 . . . . 10.0 109.291 -179.974 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.558 ' CE1' ' HB ' ' A' ' 87' ' ' VAL . 3.5 p80 -155.45 135.0 12.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 10.0 109.578 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.519 ' HA3' ' CD2' ' A' ' 120' ' ' HIS . . . -40.16 161.49 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.442 1.089 . . . . 10.0 110.994 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.55 ' CG ' ' O ' ' A' ' 83' ' ' ASP . 28.1 t80 -103.1 163.2 12.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 0.768 . . . . 10.0 111.067 179.953 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.725 ' C ' HG23 ' A' ' 47' ' ' VAL . 2.3 m-70 -67.2 175.68 2.54 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.505 1.128 . . . . 10.0 109.615 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.725 HG23 ' C ' ' A' ' 46' ' ' HIS . 2.5 t 83.75 122.63 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 10.0 109.303 179.95 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.477 ' NE2' ' CZ ' ' A' ' 143' ' ' ARG . 5.0 p-80 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 10.0 109.587 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 110.992 -0.843 . . . . 10.0 110.992 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.55 ' O ' ' CG ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -65.58 -14.3 60.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 0.747 . . . . 10.0 109.324 179.97 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.639 HD23 ' H ' ' A' ' 85' ' ' GLY . 0.4 OUTLIER 54.66 -92.65 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 10.0 109.312 -179.966 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.639 ' H ' HD23 ' A' ' 84' ' ' LEU . . . -123.96 169.18 16.06 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.458 1.099 . . . . 10.0 111.027 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -84.21 173.75 10.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 0.799 . . . . 10.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.695 HG12 ' H ' ' A' ' 88' ' ' THR . 2.6 t -126.42 178.28 4.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 10.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.695 ' H ' HG12 ' A' ' 87' ' ' VAL . 51.8 m -144.25 134.49 24.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 10.0 110.432 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.722 ' HB3' ' HA ' ' A' ' 40' ' ' GLU . . . -85.92 175.19 8.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 10.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.445 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 6.7 t70 -82.21 -97.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 10.0 109.334 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.504 ' CG ' ' O ' ' A' ' 91' ' ' LYS . 9.1 ttpt -138.44 10.61 2.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 10.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -150.41 21.06 0.84 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.562 1.164 . . . . 10.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.46 ' CA ' ' HB1' ' A' ' 89' ' ' ALA . . . 89.91 -30.52 5.78 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.525 1.141 . . . . 10.0 110.96 179.911 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.563 HG13 ' O ' ' A' ' 35' ' ' ILE . 18.9 t -44.59 104.14 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 0.751 . . . . 10.0 109.257 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.406 ' HB3' ' HB ' ' A' ' 35' ' ' ILE . . . -106.92 116.55 32.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 10.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.412 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 1.2 t70 -108.25 145.09 34.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 10.0 109.267 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.454 HG12 ' N ' ' A' ' 98' ' ' SER . 23.9 t -110.65 165.15 6.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 10.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.454 ' N ' HG12 ' A' ' 97' ' ' VAL . 87.6 p 179.34 93.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 10.0 109.971 179.951 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.493 HG22 ' H ' ' A' ' 100' ' ' GLU . 1.2 mt -143.87 173.37 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 10.0 109.277 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.493 ' H ' HG22 ' A' ' 99' ' ' ILE . 17.1 mt-10 -137.3 107.29 6.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 10.0 110.338 179.961 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -111.31 123.06 49.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 10.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.422 ' HA ' ' HA ' ' A' ' 28' ' ' PRO . 0.1 OUTLIER -117.13 74.36 0.91 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 10.0 109.976 179.998 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 55.8 t -150.13 -47.25 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 10.0 109.272 179.985 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.692 HG13 HG21 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -87.47 -169.03 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 10.0 109.307 -179.983 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 105' ' ' SER . . . . . 0.426 ' N ' HG12 ' A' ' 104' ' ' ILE . 0.4 OUTLIER -153.38 158.68 41.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 10.0 109.955 -179.977 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -85.65 -43.03 13.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 10.0 109.275 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -148.7 76.0 1.33 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 10.0 110.019 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -148.27 -126.09 1.55 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.587 1.179 . . . . 10.0 111.011 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -94.76 5.51 51.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 0.764 . . . . 10.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 26.4 m-70 -122.87 -56.19 1.77 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.095 . . . . 10.0 109.609 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 7.5 t 45.86 94.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 10.0 110.005 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.692 HG21 HG13 ' A' ' 104' ' ' ILE . 1.1 pt -90.43 -7.54 10.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 10.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 18.0 mt -49.78 127.76 5.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 10.0 109.285 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 121.37 3.1 10.6 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.462 1.101 . . . . 10.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.558 ' O ' HD22 ' A' ' 117' ' ' LEU . 30.9 mtt180 -85.27 83.0 8.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 0.734 . . . . 10.0 110.325 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.763 ' O ' HG23 ' A' ' 118' ' ' VAL . 9.8 t -55.71 106.28 0.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 10.0 110.366 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.615 HD21 HD11 ' A' ' 149' ' ' ILE . 3.8 mm? -61.14 88.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.1 . . . . 10.0 109.267 -180.0 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.836 HG11 ' HG2' ' A' ' 143' ' ' ARG . 3.4 t -84.7 151.09 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 10.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.5 ' CG1' HD11 ' A' ' 38' ' ' LEU . 65.9 t -135.86 127.56 44.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 10.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 120' ' ' HIS . . . . . 0.519 ' CD2' ' HA3' ' A' ' 44' ' ' GLY . 4.9 m-70 -84.78 131.69 34.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 10.0 109.58 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.57 -39.99 50.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 10.0 110.351 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.864 ' HB3' ' HB1' ' A' ' 140' ' ' ALA . 0.6 OUTLIER -120.06 168.85 10.76 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.129 . . . . 10.0 109.258 -179.98 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.885 ' HB2' ' C ' ' A' ' 42' ' ' LEU . . . -94.12 -164.51 1.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 10.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -152.0 96.23 2.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 10.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 125' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 126' ' ' LEU . 13.9 m-20 -86.57 48.19 1.6 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 10.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' A' ' 125' ' ' ASP . 2.2 mp 39.42 68.15 0.39 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 10.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 127' ' ' GLY . . . . . 0.443 ' C ' ' N ' ' A' ' 129' ' ' GLY . . . -93.27 -45.84 3.43 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.53 1.144 . . . . 10.0 110.948 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.781 ' HB2' HG22 ' A' ' 135' ' ' THR . 9.0 pttp 41.56 28.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 0.768 . . . . 10.0 109.303 -179.942 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 0.443 ' N ' ' C ' ' A' ' 127' ' ' GLY . . . -41.09 -40.43 2.4 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.46 1.1 . . . . 10.0 111.062 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -101.67 -134.52 8.49 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.023 -0.831 . . . . 10.0 111.023 179.951 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -154.42 139.47 17.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 0.754 . . . . 10.0 109.333 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 59.82 22.89 11.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 10.0 110.271 -179.977 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -134.52 -80.23 0.45 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 10.0 110.27 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 134' ' ' SER . . . . . 0.422 ' HB3' ' N ' ' A' ' 139' ' ' ASN . 1.2 p -75.09 -27.94 60.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 10.0 110.031 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 135' ' ' THR . . . . . 0.781 HG22 ' HB2' ' A' ' 128' ' ' LYS . 17.6 p -46.48 -31.32 2.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 10.0 110.415 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 5.9 pttt -101.37 -28.34 12.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 10.0 109.329 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 137' ' ' THR . . . . . 0.426 ' OG1' ' N ' ' A' ' 138' ' ' GLY . 68.6 p -123.83 -101.19 0.4 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 10.0 110.372 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 138' ' ' GLY . . . . . 0.455 ' O ' ' N ' ' A' ' 140' ' ' ALA . . . 173.89 35.26 0.04 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.503 1.127 . . . . 10.0 111.007 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 139' ' ' ASN . . . . . 0.454 ' C ' ' O ' ' A' ' 138' ' ' GLY . 7.2 t-20 35.94 34.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 0.782 . . . . 10.0 109.307 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.864 ' HB1' ' HB3' ' A' ' 122' ' ' LYS . . . -98.93 -58.75 1.87 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 10.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -167.34 -136.09 1.98 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.488 1.117 . . . . 10.0 111.013 179.978 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 142' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 143' ' ' ARG . 1.0 OUTLIER -176.77 -168.51 0.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 0.795 . . . . 10.0 109.989 179.996 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 143' ' ' ARG . . . . . 0.931 ' O ' HD22 ' A' ' 144' ' ' LEU . 11.0 mtp180 -38.83 145.75 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.087 . . . . 10.0 110.306 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.931 HD22 ' O ' ' A' ' 143' ' ' ARG . 0.2 OUTLIER -161.68 28.35 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 10.0 109.303 179.997 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 145' ' ' ALA . . . . . 0.43 ' HB1' ' CD1' ' A' ' 8' ' ' LEU . . . -167.43 169.08 12.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 10.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 146' ' ' CYS . . . . . 0.444 ' HA ' ' OG1' ' A' ' 116' ' ' THR . 0.0 OUTLIER -155.0 72.58 0.84 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 10.0 108.305 179.985 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 147' ' ' GLY . . . . . 0.666 ' HA3' HD22 ' A' ' 8' ' ' LEU . . . -89.51 72.11 2.19 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.464 1.103 . . . . 10.0 111.03 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 18.8 t -65.31 136.72 26.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.534 0.785 . . . . 10.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 149' ' ' ILE . . . . . 0.77 HG23 ' HB1' ' A' ' 4' ' ' ALA . 1.1 mp -73.74 111.55 9.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 10.0 109.301 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 150' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 151' ' ' ILE . . . -120.99 111.7 1.97 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.486 1.116 . . . . 10.0 110.994 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 151' ' ' ILE . . . . . 0.928 HD12 HG21 ' A' ' 2' ' ' THR . 13.8 mm -39.62 142.22 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.765 . . . . 10.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 152' ' ' ALA . . . . . 0.662 ' HB2' HG22 ' A' ' 5' ' ' VAL . . . -103.8 168.62 9.02 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.505 1.128 . . . . 10.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 10.0 110.313 -179.979 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.718 HG22 ' O ' ' A' ' 2' ' ' THR . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.419 -0.215 . . . . 10.0 110.419 . . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -92.39 99.98 12.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 10.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 1.013 ' HB1' HG23 ' A' ' 149' ' ' ILE . . . -85.28 149.94 25.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 10.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 6.1 t -118.96 151.23 21.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 10.0 109.33 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.839 ' HB3' HG23 ' A' ' 18' ' ' ILE . . . -155.52 86.75 1.08 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 10.0 109.328 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.573 HG23 HG12 ' A' ' 17' ' ' ILE . 7.4 p -84.21 107.42 15.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 10.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.674 HD11 ' CD2' ' A' ' 117' ' ' LEU . 0.8 OUTLIER -56.34 130.97 46.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 10.0 109.356 179.977 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.607 ' N ' ' HB1' ' A' ' 145' ' ' ALA . 18.9 tttt -159.1 132.17 7.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 10.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 11' ' ' ASP . . . 176.07 -94.97 0.1 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.475 1.109 . . . . 10.0 111.006 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 10' ' ' GLY . 45.3 t0 -38.43 -63.17 0.52 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 0.749 . . . . 10.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.418 ' N ' ' CD ' ' A' ' 13' ' ' PRO . . . 157.57 -55.79 0.38 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.448 1.092 . . . . 10.0 110.997 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.418 ' CD ' ' N ' ' A' ' 12' ' ' GLY . 18.4 Cg_endo -74.99 -38.5 1.57 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.477 1.777 . . . . 10.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.486 HG12 ' O ' ' A' ' 14' ' ' VAL . 3.2 t -65.14 94.55 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 10.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -119.59 37.77 4.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 10.0 110.309 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.489 ' N ' ' HB2' ' A' ' 8' ' ' LEU . . . -52.42 161.82 2.27 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.531 1.144 . . . . 10.0 110.952 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.573 HG12 HG23 ' A' ' 7' ' ' VAL . 65.2 mt -142.75 100.84 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.46 0.741 . . . . 10.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.839 HG23 ' HB3' ' A' ' 6' ' ' ALA . 0.3 OUTLIER -108.28 161.3 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 10.0 109.256 -179.969 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.45 ' N ' ' CG1' ' A' ' 18' ' ' ILE . 0.5 OUTLIER -152.92 157.75 41.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 10.0 109.262 179.99 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.805 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 6.3 m-85 -129.85 107.04 9.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 10.0 111.025 179.932 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -96.79 148.92 22.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 10.0 110.323 -179.996 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.587 ' HG3' HG22 ' A' ' 29' ' ' VAL . 17.6 tt0 -146.56 82.99 1.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 10.0 110.291 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.8 mttt -76.53 55.94 1.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 10.0 109.309 -180.0 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -156.2 -44.36 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 10.0 110.277 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 75.06 1.76 3.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 10.0 109.983 180.0 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -167.91 31.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 10.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -141.07 -144.03 4.37 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.49 1.119 . . . . 10.0 111.002 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.464 ' HA ' ' O ' ' A' ' 101' ' ' ASP . 18.2 Cg_endo -75.03 157.92 42.38 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.492 1.785 . . . . 10.0 110.986 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.587 HG22 ' HG3' ' A' ' 22' ' ' GLN . 46.7 t -120.63 114.55 44.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 10.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.6 mttt -76.29 97.27 4.15 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 10.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.674 HG22 ' CD2' ' A' ' 20' ' ' PHE . 42.5 t -89.79 142.26 13.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 10.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -167.62 156.55 9.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 10.0 107.976 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.458 ' CA ' ' HA ' ' A' ' 18' ' ' ILE . . . -172.22 -173.98 39.29 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.517 1.136 . . . . 10.0 110.999 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.4 m -156.95 121.28 4.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 0.734 . . . . 10.0 110.026 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.905 HG21 HD13 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -83.98 165.8 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 10.0 109.345 179.978 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.509 ' N ' HG23 ' A' ' 35' ' ' ILE . 14.3 mtmt -155.96 109.72 2.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 10.0 109.265 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.454 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 140.07 -45.23 1.01 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.524 1.14 . . . . 10.0 110.969 179.949 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.905 HD13 HG21 ' A' ' 35' ' ' ILE . 1.7 mp -52.42 -171.66 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 0.746 . . . . 10.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.448 ' O ' ' NE2' ' A' ' 43' ' ' HIS . 17.6 p -133.32 137.93 46.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 10.0 110.401 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.599 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 0.4 OUTLIER -37.17 116.79 0.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 10.0 110.305 179.991 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.409 ' O ' ' HA ' ' A' ' 88' ' ' THR . . . 151.27 -176.82 29.58 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.443 1.089 . . . . 10.0 110.958 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.942 HD22 ' ND2' ' A' ' 86' ' ' ASN . 1.3 mt -75.5 138.68 41.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 0.78 . . . . 10.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.668 ' CD2' HD22 ' A' ' 38' ' ' LEU . 58.4 m-70 -133.63 170.63 15.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 10.0 109.614 -179.952 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -86.96 153.92 26.12 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.501 1.126 . . . . 10.0 111.005 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.564 ' CE1' HD12 ' A' ' 117' ' ' LEU . 10.6 t80 -142.67 78.9 1.63 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 0.764 . . . . 10.0 110.981 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.501 ' HE1' ' CD2' ' A' ' 120' ' ' HIS . 2.4 m170 -84.61 176.51 8.55 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 10.0 109.605 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.792 ' O ' HG12 ' A' ' 47' ' ' VAL . 24.4 t -139.35 61.31 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 10.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.443 ' C ' ' O ' ' A' ' 47' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 10.0 109.596 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 110.999 -0.84 . . . . 10.0 110.999 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.494 ' O ' ' CB ' ' A' ' 84' ' ' LEU . 1.0 OUTLIER -71.86 -52.88 15.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 0.75 . . . . 10.0 109.288 -179.98 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.494 ' CB ' ' O ' ' A' ' 83' ' ' ASP . 0.5 OUTLIER 87.04 -4.24 0.65 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 10.0 109.285 179.964 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 150.64 -153.32 24.95 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.496 1.123 . . . . 10.0 110.996 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.942 ' ND2' HD22 ' A' ' 42' ' ' LEU . 31.5 p-10 -121.42 159.13 26.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 0.779 . . . . 10.0 109.259 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.811 ' O ' HD23 ' A' ' 42' ' ' LEU . 20.8 m -113.8 -167.08 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 10.0 109.334 179.929 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.409 ' HA ' ' O ' ' A' ' 41' ' ' GLY . 70.0 m -156.14 148.4 23.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 10.0 110.405 179.963 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.599 ' HB3' ' HA ' ' A' ' 40' ' ' GLU . . . -85.92 175.52 8.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 10.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.449 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 9.3 t70 -77.6 -97.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 10.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.449 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 23.2 mtmt -138.51 10.82 2.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 10.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -155.06 24.42 0.43 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 10.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.589 ' C ' ' HB1' ' A' ' 89' ' ' ALA . . . 93.92 -37.45 3.4 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.473 1.108 . . . . 10.0 110.99 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.479 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 73.8 t -41.02 101.19 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.517 0.775 . . . . 10.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.563 ' HB3' ' HB ' ' A' ' 35' ' ' ILE . . . -100.11 115.95 31.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 10.0 109.286 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.432 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 4.0 p-10 -107.69 149.87 27.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 10.0 109.266 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.508 HG12 ' N ' ' A' ' 98' ' ' SER . 94.6 t -124.87 165.67 21.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 10.0 109.314 179.947 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.508 ' N ' HG12 ' A' ' 97' ' ' VAL . 22.2 p -175.61 93.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 10.0 110.023 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 20.9 mt -134.29 153.72 36.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 10.0 109.318 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -132.55 90.16 2.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 10.0 110.341 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.464 ' O ' ' HA ' ' A' ' 28' ' ' PRO . 80.4 m-20 -95.61 159.89 14.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 10.0 109.279 -179.941 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -138.42 12.85 2.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 10.0 110.032 179.968 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 49.6 t -97.46 -41.97 11.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.13 . . . . 10.0 109.287 179.995 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.525 ' CG1' HG21 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -77.84 -176.96 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 10.0 109.285 -179.984 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 105' ' ' SER . . . . . 0.408 ' O ' ' N ' ' A' ' 112' ' ' ILE . 47.1 t -162.82 146.81 11.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 10.0 110.002 -179.972 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.639 HD13 ' CG1' ' A' ' 112' ' ' ILE . 2.9 mm? -61.76 -41.8 98.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 10.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.29 86.31 1.16 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 10.0 109.97 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -153.25 -116.07 0.62 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.504 1.127 . . . . 10.0 111.015 179.967 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -97.47 6.95 47.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 0.776 . . . . 10.0 109.272 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 64.0 m80 -132.39 -47.68 0.9 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 10.0 109.581 -179.998 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 59.5 p 51.9 87.62 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.453 1.096 . . . . 10.0 109.953 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.639 ' CG1' HD13 ' A' ' 106' ' ' LEU . 35.9 pt -88.72 -5.69 10.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 10.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 9.9 mm -56.34 113.54 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 10.0 109.265 -179.968 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 104.83 41.86 1.91 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.468 1.105 . . . . 10.0 111.032 -179.996 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.845 ' HB2' HD13 ' A' ' 149' ' ' ILE . 5.1 mtm180 -83.9 69.17 10.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 0.783 . . . . 10.0 110.304 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 116' ' ' THR . . . . . 1.051 ' OG1' HG22 ' A' ' 148' ' ' VAL . 87.6 m -62.66 80.47 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 10.0 110.422 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.674 ' CD2' HD11 ' A' ' 8' ' ' LEU . 0.1 OUTLIER -73.89 117.44 15.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 10.0 109.285 179.978 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 1.009 HG13 ' O ' ' A' ' 145' ' ' ALA . 1.5 t -114.92 122.66 69.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 10.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 1.012 HG23 HD12 ' A' ' 144' ' ' LEU . 30.1 m -82.52 149.16 4.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 10.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 120' ' ' HIS . . . . . 0.506 ' CD2' ' O ' ' A' ' 140' ' ' ALA . 0.2 OUTLIER -84.82 151.98 23.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 10.0 109.622 -179.973 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.56 -14.27 12.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 10.0 110.298 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.543 ' HB3' ' HB2' ' A' ' 140' ' ' ALA . 1.8 tmtt? -149.52 -179.19 6.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.16 . . . . 10.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -69.25 166.84 17.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 10.0 109.259 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.433 ' OD1' ' N ' ' A' ' 124' ' ' ASP . 0.0 OUTLIER -45.02 -90.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 10.0 109.285 179.991 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 125' ' ' ASP . . . . . 0.433 ' OD1' ' CB ' ' A' ' 134' ' ' SER . 8.1 t70 -175.34 -39.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 10.0 109.271 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 3.7 mt 50.09 22.65 0.96 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 10.0 109.246 179.961 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 84.92 105.88 0.64 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.52 1.137 . . . . 10.0 110.991 -179.991 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 1.4 mttm -92.92 -84.37 0.29 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 0.785 . . . . 10.0 109.317 179.962 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 169.05 -34.61 0.19 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.526 1.141 . . . . 10.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -61.94 -166.56 0.49 Allowed Glycine 0 CA--C 1.529 0.967 0 N-CA-C 110.961 -0.855 . . . . 10.0 110.961 -179.974 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 19.7 m-80 -152.37 138.04 17.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 0.735 . . . . 10.0 109.303 -179.996 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 68.8 13.7 8.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 10.0 110.333 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.05 -64.78 0.94 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 10.0 110.312 179.964 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 134' ' ' SER . . . . . 0.56 ' HA ' ' CA ' ' A' ' 138' ' ' GLY . 0.0 OUTLIER -91.88 -18.0 24.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 10.0 109.984 -179.984 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 75.0 p -82.78 7.95 13.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.414 1.071 . . . . 10.0 110.346 -179.947 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.698 ' HG2' HG23 ' A' ' 137' ' ' THR . 1.3 ttpt -127.8 -53.72 1.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 10.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 137' ' ' THR . . . . . 0.698 HG23 ' HG2' ' A' ' 136' ' ' LYS . 27.0 p -114.37 -22.47 9.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 10.0 110.395 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 138' ' ' GLY . . . . . 0.56 ' CA ' ' HA ' ' A' ' 134' ' ' SER . . . 96.55 15.26 41.11 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.541 1.151 . . . . 10.0 110.978 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 139' ' ' ASN . . . . . 0.483 ' CB ' ' O ' ' A' ' 138' ' ' GLY . 2.5 t-20 81.59 -3.7 1.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 0.744 . . . . 10.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.543 ' HB2' ' HB3' ' A' ' 122' ' ' LYS . . . -123.87 79.92 1.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 10.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 141' ' ' GLY . . . . . 0.405 ' O ' ' CB ' ' A' ' 142' ' ' SER . . . -117.65 111.88 2.32 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.544 1.153 . . . . 10.0 111.014 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 142' ' ' SER . . . . . 0.405 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 0.4 OUTLIER 165.43 97.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 0.787 . . . . 10.0 110.041 -179.982 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 143' ' ' ARG . . . . . 0.547 ' CG ' HG11 ' A' ' 118' ' ' VAL . 0.0 OUTLIER -46.59 161.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 10.0 110.295 -179.981 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 1.012 HD12 HG23 ' A' ' 119' ' ' VAL . 94.6 mt -123.29 -76.58 0.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 10.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 145' ' ' ALA . . . . . 1.009 ' O ' HG13 ' A' ' 118' ' ' VAL . . . -118.2 176.22 5.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 10.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 146' ' ' CYS . . . . . 0.703 ' O ' HG23 ' A' ' 148' ' ' VAL . 0.5 OUTLIER -149.22 70.4 1.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 10.0 108.316 179.983 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 147' ' ' GLY . . . . . 0.553 ' H ' HD13 ' A' ' 8' ' ' LEU . . . -37.98 -58.68 1.52 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.539 1.15 . . . . 10.0 110.979 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 1.051 HG22 ' OG1' ' A' ' 116' ' ' THR . 85.9 t 68.15 115.03 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 0.78 . . . . 10.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 149' ' ' ILE . . . . . 1.013 HG23 ' HB1' ' A' ' 4' ' ' ALA . 1.7 mp -69.57 135.55 28.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 10.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 150' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 151' ' ' ILE . . . -144.86 110.76 0.57 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.533 1.146 . . . . 10.0 110.987 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 151' ' ' ILE . . . . . 0.672 ' CD1' HG23 ' A' ' 2' ' ' THR . 16.2 mm -39.38 145.46 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.498 0.764 . . . . 10.0 109.277 179.959 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -143.13 168.26 20.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 10.0 109.287 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 10.0 110.29 -179.982 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.536 HG22 ' H ' ' A' ' 3' ' ' LYS . 19.7 m . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.425 -0.213 . . . . 10.0 110.425 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.536 ' H ' HG22 ' A' ' 2' ' ' THR . 0.1 OUTLIER -97.53 90.99 5.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 10.0 109.268 -179.966 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.601 ' HB1' HG22 ' A' ' 149' ' ' ILE . . . -84.46 155.16 22.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 10.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.77 HG13 HD22 ' A' ' 19' ' ' ASN . 0.8 OUTLIER -135.52 142.73 38.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 10.0 109.279 179.999 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.753 ' HB1' ' O ' ' A' ' 147' ' ' GLY . . . -138.73 92.79 2.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 10.0 109.327 -179.943 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.565 ' O ' HG13 ' A' ' 7' ' ' VAL . 12.4 p -83.45 97.57 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 10.0 109.28 -179.952 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.521 HD22 ' HA3' ' A' ' 147' ' ' GLY . 1.3 mm? -42.77 139.85 1.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 10.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.4 tmtt? -173.34 120.88 0.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.436 1.085 . . . . 10.0 109.321 -179.978 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -179.88 -85.35 0.06 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.501 1.126 . . . . 10.0 111.019 -179.977 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -40.02 -47.34 2.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 0.767 . . . . 10.0 109.268 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 128.27 -57.03 0.72 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.516 1.135 . . . . 10.0 111.007 -179.946 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -32.24 5.49 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.488 1.783 . . . . 10.0 111.016 -179.989 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.654 ' CG2' HD12 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -81.99 113.38 21.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 10.0 109.313 179.98 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.8 mp0 -132.9 56.44 1.85 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 10.0 110.316 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.493 ' CA ' ' HA ' ' A' ' 35' ' ' ILE . . . -65.3 167.0 32.87 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.5 1.125 . . . . 10.0 111.026 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 24.6 mt -139.64 108.89 3.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 0.769 . . . . 10.0 109.291 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.844 HD13 ' C ' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -132.1 134.47 59.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 10.0 109.303 179.983 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.77 HD22 HG13 ' A' ' 5' ' ' VAL . 0.0 OUTLIER -125.94 163.32 23.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 10.0 109.299 179.993 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.957 ' CE1' HG13 ' A' ' 31' ' ' VAL . 2.1 m-85 -131.53 104.0 6.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 10.0 111.039 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.412 ' HA ' ' O ' ' A' ' 2' ' ' THR . 50.1 tt0 -114.72 118.59 34.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 10.0 110.307 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.767 ' CG ' HG22 ' A' ' 29' ' ' VAL . 1.1 tt0 -140.5 58.34 1.57 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 10.0 110.28 -179.968 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.5 mtmt -77.47 71.17 3.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 10.0 109.322 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.471 ' O ' ' CB ' ' A' ' 25' ' ' SER . 0.0 OUTLIER -134.65 -47.78 0.75 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 10.0 110.323 -179.972 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.471 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 2.3 m 83.28 -8.32 1.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 10.0 110.004 179.973 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 39.1 p-10 -167.23 31.21 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 10.0 109.317 179.94 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -132.11 -172.62 13.1 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.511 1.132 . . . . 10.0 111.017 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.404 ' HA ' ' HA ' ' A' ' 102' ' ' SER . 18.3 Cg_endo -75.03 154.98 42.76 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.491 1.785 . . . . 10.0 110.995 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.767 HG22 ' CG ' ' A' ' 22' ' ' GLN . 78.1 t -97.56 117.74 42.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 10.0 109.257 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.6 mttt -74.08 92.6 2.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.437 1.086 . . . . 10.0 109.293 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.957 HG13 ' CE1' ' A' ' 20' ' ' PHE . 87.8 t -98.23 112.9 31.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.145 . . . . 10.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.408 ' HA ' ' O ' ' A' ' 97' ' ' VAL . 0.6 OUTLIER -141.21 155.72 46.01 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.977 -1.12 . . . . 10.0 107.977 179.992 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.411 ' O ' ' HA ' ' A' ' 96' ' ' ASP . . . -177.17 179.64 47.92 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.51 1.131 . . . . 10.0 111.03 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 9.3 m -157.17 118.74 3.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 0.742 . . . . 10.0 110.031 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.771 HG21 HD13 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -84.23 162.94 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 10.0 109.287 -179.961 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.482 ' CG ' ' O ' ' A' ' 35' ' ' ILE . 14.0 mttt -155.98 102.37 2.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 10.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.459 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 141.29 -38.91 1.48 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.455 1.097 . . . . 10.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.972 HD11 HG21 ' A' ' 119' ' ' VAL . 0.5 OUTLIER -53.55 -167.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 0.745 . . . . 10.0 109.254 -179.95 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.401 ' O ' ' CE1' ' A' ' 43' ' ' HIS . 50.1 p -130.08 146.46 51.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 10.0 110.387 -179.948 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.793 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 3.3 pt-20 -54.89 111.09 0.76 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 10.0 110.277 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 154.64 162.45 11.21 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.504 1.127 . . . . 10.0 111.001 180.0 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.674 HD23 ' OG1' ' A' ' 88' ' ' THR . 6.7 mt -56.6 142.52 39.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 0.764 . . . . 10.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.766 ' CD2' HD22 ' A' ' 38' ' ' LEU . 40.7 m-70 -123.08 174.8 7.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 10.0 109.66 179.95 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -85.14 -179.37 50.9 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.441 1.088 . . . . 10.0 110.992 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.591 ' CE1' ' CG ' ' A' ' 86' ' ' ASN . 22.8 m-85 -82.98 173.53 11.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 0.776 . . . . 10.0 111.005 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.484 ' CB ' ' HG ' ' A' ' 117' ' ' LEU . 0.0 OUTLIER -104.92 167.64 9.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 10.0 109.589 -179.999 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 42.5 t 62.89 143.91 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 10.0 109.318 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.526 ' CG ' ' O ' ' A' ' 48' ' ' HIS . 21.5 p-80 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 10.0 109.555 -179.967 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 83' ' ' ASP . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.991 -0.844 . . . . 10.0 110.991 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.418 ' C ' ' O ' ' A' ' 82' ' ' GLY . 2.2 p-10 38.61 36.7 0.15 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 0.786 . . . . 10.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.48 ' O ' ' CD1' ' A' ' 45' ' ' PHE . 10.0 tp -165.86 115.26 0.99 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.152 . . . . 10.0 109.235 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.448 ' O ' ' O ' ' A' ' 84' ' ' LEU . . . -41.15 166.69 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.474 1.109 . . . . 10.0 111.01 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.591 ' CG ' ' CE1' ' A' ' 45' ' ' PHE . 65.8 m-20 -83.08 153.6 24.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 0.757 . . . . 10.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 7.7 m -106.34 160.86 5.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 10.0 109.258 -179.966 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.674 ' OG1' HD23 ' A' ' 42' ' ' LEU . 52.3 m -134.27 147.04 50.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 10.0 110.434 179.945 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.793 ' HB3' ' HA ' ' A' ' 40' ' ' GLU . . . -84.28 158.13 21.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 10.0 109.28 -179.959 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.423 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 5.3 t70 -72.16 -96.37 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 10.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.508 ' CG ' ' O ' ' A' ' 91' ' ' LYS . 4.6 tttt -139.62 12.72 2.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 10.0 109.342 180.0 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -148.98 20.23 0.99 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 10.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.565 ' CA ' ' HB1' ' A' ' 89' ' ' ALA . . . 88.62 -27.84 6.85 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.539 1.149 . . . . 10.0 110.969 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.639 HG13 ' O ' ' A' ' 35' ' ' ILE . 37.0 t -55.21 109.25 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 0.768 . . . . 10.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.413 ' HB3' ' HB ' ' A' ' 35' ' ' ILE . . . -107.78 117.47 34.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 10.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.411 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 1.2 p-10 -102.05 155.75 17.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 10.0 109.265 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.408 ' O ' ' HA ' ' A' ' 32' ' ' TRP . 49.3 t -135.52 154.84 35.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 10.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 16.0 p -176.59 93.14 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 10.0 110.027 -179.982 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.628 HG22 ' H ' ' A' ' 100' ' ' GLU . 3.5 mt -140.47 175.35 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 10.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.628 ' H ' HG22 ' A' ' 99' ' ' ILE . 1.3 mt-10 -129.67 100.2 5.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 10.0 110.319 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -97.88 109.8 22.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 10.0 109.291 -179.982 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.404 ' HA ' ' HA ' ' A' ' 28' ' ' PRO . 95.5 p -104.79 56.05 0.7 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 10.0 109.985 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 51.5 t -132.33 -51.39 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 10.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.855 ' CG1' HG21 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -96.69 176.62 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.112 . . . . 10.0 109.313 179.975 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 105' ' ' SER . . . . . 0.658 ' C ' HD23 ' A' ' 106' ' ' LEU . 53.9 p -170.18 174.98 5.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 10.0 109.991 -179.955 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.752 ' N ' HD23 ' A' ' 106' ' ' LEU . 0.1 OUTLIER -101.01 40.55 1.27 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 10.0 109.283 -179.996 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -87.53 -168.53 2.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 10.0 109.995 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -94.25 19.29 54.18 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.492 1.12 . . . . 10.0 110.977 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -136.74 -59.91 0.71 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 0.783 . . . . 10.0 109.314 179.961 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 110' ' ' HIS . . . . . 0.465 ' O ' HG23 ' A' ' 112' ' ' ILE . 33.6 m170 -90.09 15.52 10.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.14 . . . . 10.0 109.571 180.0 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -43.76 118.23 1.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 10.0 109.989 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.855 HG21 ' CG1' ' A' ' 104' ' ' ILE . 1.6 pp -101.31 -12.68 8.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 10.0 109.36 179.943 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.773 HD11 HD11 ' A' ' 151' ' ' ILE . 20.3 mt -48.58 131.95 6.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 10.0 109.269 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 110.41 8.37 25.11 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.488 1.118 . . . . 10.0 110.983 179.968 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 85.4 mtt180 -84.67 90.66 7.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 0.749 . . . . 10.0 110.314 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.578 HG23 ' HB2' ' A' ' 146' ' ' CYS . 55.3 m -61.69 100.25 0.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 10.0 110.422 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.529 ' CD2' HG21 ' A' ' 18' ' ' ILE . 0.5 OUTLIER -74.57 110.87 9.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 10.0 109.289 -179.992 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.702 HG23 ' O ' ' A' ' 144' ' ' LEU . 0.2 OUTLIER -137.32 107.7 5.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 10.0 109.289 179.988 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.972 HG21 HD11 ' A' ' 38' ' ' LEU . 33.3 m -72.25 172.62 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 10.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -111.73 143.14 43.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 10.0 109.608 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.43 -29.85 11.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 10.0 110.28 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.692 ' HB2' ' HB1' ' A' ' 140' ' ' ALA . 2.5 mttt -141.03 -172.01 3.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 10.0 109.294 -179.938 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.555 ' HB2' ' C ' ' A' ' 42' ' ' LEU . . . -99.7 -173.58 2.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 10.0 109.343 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.404 ' OD1' ' CA ' ' A' ' 126' ' ' LEU . 4.1 p30 -111.79 -5.13 14.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.157 . . . . 10.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 61.82 30.75 18.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 10.0 109.295 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.404 ' CA ' ' OD1' ' A' ' 124' ' ' ASP . 19.1 mt 52.78 21.61 2.0 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.502 1.126 . . . . 10.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 108.34 121.98 4.64 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.479 1.112 . . . . 10.0 111.021 -179.945 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 1.2 mttm -74.76 -48.23 26.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 0.797 . . . . 10.0 109.352 179.946 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 152.49 -45.28 0.6 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.475 1.109 . . . . 10.0 111.031 179.966 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -84.55 137.54 15.88 Favored Glycine 0 CA--C 1.529 0.953 0 N-CA-C 110.991 -0.844 . . . . 10.0 110.991 -179.982 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 131' ' ' ASN . . . . . 0.413 ' O ' ' CB ' ' A' ' 132' ' ' GLU . 0.5 OUTLIER -90.15 89.66 7.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 0.747 . . . . 10.0 109.318 -179.999 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.413 ' CB ' ' O ' ' A' ' 131' ' ' ASN . 0.8 OUTLIER 166.94 41.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 10.0 110.247 -179.978 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -177.84 -65.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 10.0 110.279 179.928 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 72.1 p -85.84 -22.43 27.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 10.0 110.036 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 135' ' ' THR . . . . . 0.403 ' CG2' ' HA ' ' A' ' 131' ' ' ASN . 2.4 p -77.21 -14.52 59.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 10.0 110.375 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 18.9 mtmt -109.33 -32.98 6.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 10.0 109.317 -179.982 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 137' ' ' THR . . . . . 0.444 ' OG1' ' N ' ' A' ' 138' ' ' GLY . 69.4 p -138.89 -94.32 0.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 10.0 110.381 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 138' ' ' GLY . . . . . 0.444 ' N ' ' OG1' ' A' ' 137' ' ' THR . . . -177.09 34.93 0.08 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.512 1.132 . . . . 10.0 111.001 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 139' ' ' ASN . . . . . 0.405 ' O ' ' HB2' ' A' ' 140' ' ' ALA . 44.9 t30 44.32 26.91 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 0.767 . . . . 10.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.692 ' HB1' ' HB2' ' A' ' 122' ' ' LYS . . . -179.47 40.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 10.0 109.273 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -93.81 89.1 1.26 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.522 1.139 . . . . 10.0 110.984 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 142' ' ' SER . . . . . 0.624 ' HB3' HD12 ' A' ' 144' ' ' LEU . 5.2 t -89.0 -9.68 50.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 0.758 . . . . 10.0 109.976 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 143' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 142' ' ' SER . 0.0 OUTLIER 37.02 88.53 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 10.0 110.319 -179.999 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.799 ' N ' HD13 ' A' ' 144' ' ' LEU . 0.0 OUTLIER -117.57 161.56 19.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 10.0 109.316 179.995 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 145' ' ' ALA . . . . . 0.422 ' HB2' ' CG1' ' A' ' 14' ' ' VAL . . . 59.96 173.16 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 10.0 109.324 -179.939 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 146' ' ' CYS . . . . . 0.578 ' HB2' HG23 ' A' ' 116' ' ' THR . 26.6 p -156.23 67.85 0.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 10.0 108.285 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 147' ' ' GLY . . . . . 0.753 ' O ' ' HB1' ' A' ' 6' ' ' ALA . . . -67.56 61.94 0.29 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.498 1.124 . . . . 10.0 110.999 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.421 ' N ' ' O ' ' A' ' 146' ' ' CYS . 2.4 t -59.35 132.36 24.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.52 0.776 . . . . 10.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 149' ' ' ILE . . . . . 0.601 HG22 ' HB1' ' A' ' 4' ' ' ALA . 11.7 mm -75.45 106.34 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 10.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -119.39 137.59 12.7 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.536 1.147 . . . . 10.0 111.002 -179.962 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 151' ' ' ILE . . . . . 0.773 HD11 HD11 ' A' ' 113' ' ' ILE . 27.0 mm -58.56 148.54 6.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 0.771 . . . . 10.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 152' ' ' ALA . . . . . 0.487 ' HB3' ' CG2' ' A' ' 5' ' ' VAL . . . -147.32 168.94 20.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 10.0 109.332 -179.95 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 10.0 110.317 -179.992 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 83.9 m . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.404 -0.221 . . . . 10.0 110.404 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.439 ' HA ' ' O ' ' A' ' 20' ' ' PHE . 32.4 tttt -107.62 134.7 50.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 10.0 109.261 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.928 ' HB3' ' HB2' ' A' ' 20' ' ' PHE . . . -107.84 163.3 13.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 10.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.521 HG23 ' CB ' ' A' ' 152' ' ' ALA . 2.4 t -135.07 153.39 34.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 10.0 109.263 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.658 ' HB1' ' C ' ' A' ' 147' ' ' GLY . . . -155.66 89.0 1.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 10.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.472 ' O ' HG13 ' A' ' 7' ' ' VAL . 8.9 p -83.39 107.31 14.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 10.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.516 HD22 ' HA3' ' A' ' 147' ' ' GLY . 0.2 OUTLIER -54.83 137.64 44.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 10.0 109.313 179.988 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.3 tptm -173.14 128.87 0.46 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 10.0 109.32 179.955 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 179.08 -81.62 0.06 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.446 1.091 . . . . 10.0 111.021 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -44.38 -47.94 9.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 0.765 . . . . 10.0 109.325 179.967 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 134.32 -57.33 0.7 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.514 1.134 . . . . 10.0 111.016 -179.966 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -22.23 15.1 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.509 1.794 . . . . 10.0 110.999 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.5 ' CG1' ' O ' ' A' ' 14' ' ' VAL . 0.4 OUTLIER -88.32 116.04 29.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 10.0 109.326 -179.996 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.78 45.69 2.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 10.0 110.309 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.464 ' CA ' ' HA ' ' A' ' 35' ' ' ILE . . . -53.91 166.55 1.98 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.452 1.095 . . . . 10.0 111.017 179.959 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 31.7 mt -139.54 106.22 2.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.484 0.755 . . . . 10.0 109.346 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.778 HD13 ' C ' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -128.69 130.76 68.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 10.0 109.279 -179.972 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.562 ' N ' HD13 ' A' ' 18' ' ' ILE . 1.1 m-20 -123.59 170.9 9.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 10.0 109.274 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.928 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 21.5 m-85 -124.81 123.61 40.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.088 . . . . 10.0 110.953 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.401 ' O ' ' N ' ' A' ' 30' ' ' LYS . 1.3 tt0 -111.02 132.13 54.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 10.0 110.305 179.961 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.835 ' HG3' HG22 ' A' ' 29' ' ' VAL . 2.6 tt0 -155.21 78.73 1.03 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 10.0 110.323 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 54.4 mttt -81.08 64.94 6.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 10.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.491 ' O ' ' CB ' ' A' ' 25' ' ' SER . 0.3 OUTLIER -154.63 -48.15 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 10.0 110.288 -180.0 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 1.9 t 85.15 -10.18 0.81 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 10.0 110.021 -179.978 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 18.1 p-10 -157.37 26.17 0.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 10.0 109.26 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -126.17 -152.79 8.21 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.496 1.123 . . . . 10.0 110.997 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.464 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 18.2 Cg_endo -74.98 163.07 36.1 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.541 1.811 . . . . 10.0 110.997 -179.958 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.835 HG22 ' HG3' ' A' ' 22' ' ' GLN . 41.6 t -125.69 108.81 20.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 10.0 109.349 179.966 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.401 ' N ' ' O ' ' A' ' 21' ' ' GLU . 27.8 mttt -75.44 93.11 2.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 10.0 109.295 -179.95 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.575 HG22 ' CD2' ' A' ' 20' ' ' PHE . 16.6 t -90.01 128.82 41.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 10.0 109.326 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 8.0 p90 -157.02 154.67 29.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 10.0 107.981 179.964 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.413 ' O ' ' HA ' ' A' ' 96' ' ' ASP . . . -169.3 -169.62 32.85 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.498 1.124 . . . . 10.0 110.976 -179.972 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 43.7 m -157.48 123.02 4.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 0.782 . . . . 10.0 109.979 -179.971 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.71 ' CD1' ' CE2' ' A' ' 45' ' ' PHE . 0.1 OUTLIER -84.84 164.4 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 10.0 109.329 179.974 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.491 ' CG ' ' O ' ' A' ' 35' ' ' ILE . 22.0 mtmt -156.55 112.91 3.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 10.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.433 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 128.45 -37.0 2.34 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.477 1.111 . . . . 10.0 110.962 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.651 HD13 HG21 ' A' ' 35' ' ' ILE . 0.2 OUTLIER -53.85 -169.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 0.748 . . . . 10.0 109.271 -179.944 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.429 ' OG1' ' NE2' ' A' ' 43' ' ' HIS . 23.8 p -131.21 141.24 50.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.112 . . . . 10.0 110.352 -179.947 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.804 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 0.2 OUTLIER -44.38 123.8 3.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 10.0 110.301 179.991 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 127.54 162.21 11.04 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.512 1.133 . . . . 10.0 111.02 179.992 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.901 ' O ' ' HB2' ' A' ' 123' ' ' ALA . 1.0 OUTLIER -47.14 145.32 2.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 0.768 . . . . 10.0 109.303 -179.993 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.58 ' CD2' HD23 ' A' ' 38' ' ' LEU . 14.1 m-70 -155.16 159.34 40.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 10.0 109.604 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.81 151.42 25.44 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.496 1.122 . . . . 10.0 110.956 179.99 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.71 ' CE2' ' CD1' ' A' ' 35' ' ' ILE . 0.1 OUTLIER 175.9 79.29 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 0.764 . . . . 10.0 110.992 179.994 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.7 ' HA ' HD13 ' A' ' 117' ' ' LEU . 3.8 p80 -172.46 175.16 3.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 10.0 109.56 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.463 ' CG2' ' HD3' ' A' ' 115' ' ' ARG . 41.7 t -68.18 84.49 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.125 . . . . 10.0 109.309 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 1.3 m80 . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.54 1.15 . . . . 10.0 109.619 -179.998 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.002 -0.839 . . . . 10.0 111.002 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.453 ' OD1' ' N ' ' A' ' 85' ' ' GLY . 13.4 t0 -63.34 134.95 56.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 0.765 . . . . 10.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.429 ' O ' ' O ' ' A' ' 85' ' ' GLY . 0.2 OUTLIER -110.75 62.77 0.61 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 10.0 109.312 -179.998 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.453 ' N ' ' OD1' ' A' ' 83' ' ' ASP . . . 45.39 -174.06 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.503 1.127 . . . . 10.0 111.009 -179.948 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.413 ' OD1' ' CD2' ' A' ' 46' ' ' HIS . 6.3 m-20 -111.21 175.33 5.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 0.788 . . . . 10.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.6 HG12 ' H ' ' A' ' 88' ' ' THR . 2.7 t -127.31 174.04 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 10.0 109.245 -179.957 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.6 ' H ' HG12 ' A' ' 87' ' ' VAL . 90.3 m -123.9 149.58 45.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 10.0 110.394 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.804 ' HB3' ' HA ' ' A' ' 40' ' ' GLU . . . -84.88 167.6 15.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 10.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.439 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 12.6 t0 -80.29 -97.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 10.0 109.335 179.961 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.439 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 41.7 pttt -136.98 10.08 3.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 10.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -150.0 22.25 0.87 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 10.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.546 ' CA ' ' HB1' ' A' ' 89' ' ' ALA . . . 89.43 -30.78 5.47 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.538 1.148 . . . . 10.0 110.983 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.47 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 18.3 t -45.48 109.1 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.488 0.757 . . . . 10.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.578 ' HB3' ' HB ' ' A' ' 35' ' ' ILE . . . -111.04 116.61 31.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 10.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.413 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 3.4 p-10 -107.38 149.63 27.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 10.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 60.3 t -127.12 158.84 37.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 10.0 109.292 179.956 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 97.8 p -168.89 90.81 0.24 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 10.0 109.986 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 13.3 mt -126.39 147.54 31.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 10.0 109.343 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -129.77 89.29 2.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.118 . . . . 10.0 110.299 -179.951 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.464 ' O ' ' CB ' ' A' ' 28' ' ' PRO . 58.8 m-20 -95.75 160.55 14.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 10.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 44.2 p -119.64 -47.38 2.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 10.0 109.996 -179.997 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 40.2 t -44.91 -54.04 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 10.0 109.32 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.771 ' C ' HD12 ' A' ' 104' ' ' ILE . 1.7 pp -66.13 168.26 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 10.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 105' ' ' SER . . . . . 0.541 ' C ' HD12 ' A' ' 106' ' ' LEU . 0.0 OUTLIER -177.8 -175.67 0.52 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 10.0 109.974 179.967 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.541 HD12 ' C ' ' A' ' 105' ' ' SER . 5.8 mp -112.6 27.17 9.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 10.0 109.285 -179.94 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.406 ' O ' ' N ' ' A' ' 109' ' ' ASP . 16.9 m -97.62 161.91 13.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 10.0 110.015 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -65.65 74.97 0.1 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.536 1.148 . . . . 10.0 110.952 -179.978 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 107' ' ' SER . 2.0 m-20 173.31 -56.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 0.768 . . . . 10.0 109.28 179.947 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 52.8 m80 -109.0 13.47 24.65 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.542 1.151 . . . . 10.0 109.586 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 22.9 p -43.79 116.05 0.91 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 10.0 109.988 -179.977 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.471 ' CD1' ' CE2' ' A' ' 20' ' ' PHE . 1.1 pt -88.25 -14.32 9.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 10.0 109.258 -179.961 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 4.8 mt -55.9 132.81 19.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 10.0 109.316 179.953 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 111.48 5.38 26.22 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.48 1.112 . . . . 10.0 110.967 179.968 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.721 ' HB2' HD13 ' A' ' 149' ' ' ILE . 8.2 mtt85 -84.71 117.48 23.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 0.778 . . . . 10.0 110.33 179.951 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 116' ' ' THR . . . . . 1.001 HG23 HG23 ' A' ' 148' ' ' VAL . 5.5 m -97.88 86.8 3.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 10.0 110.374 -179.98 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.7 HD13 ' HA ' ' A' ' 46' ' ' HIS . 4.5 mm? -66.48 77.98 0.1 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 10.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.589 HG13 ' O ' ' A' ' 144' ' ' LEU . 91.7 t -81.49 142.35 13.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 10.0 109.335 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.604 HG22 ' HB3' ' A' ' 145' ' ' ALA . 33.1 m -107.58 156.59 8.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 10.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 36.9 m170 -104.55 147.51 27.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 10.0 109.548 -179.96 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.64 -26.42 63.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 10.0 110.314 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.514 ' C ' ' HB1' ' A' ' 140' ' ' ALA . 2.7 mmtt -142.28 168.44 19.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 10.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.901 ' HB2' ' O ' ' A' ' 42' ' ' LEU . . . -73.3 130.61 40.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 10.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 21.0 p-10 -60.19 -15.86 27.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 10.0 109.317 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 61.62 22.64 13.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 10.0 109.327 -179.976 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.3 mt 58.58 16.93 4.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.158 . . . . 10.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 96.09 128.36 5.66 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.554 1.159 . . . . 10.0 111.036 -179.949 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.62 -29.93 14.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 0.792 . . . . 10.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 130' ' ' GLY . . . 119.95 2.48 12.59 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.512 1.133 . . . . 10.0 111.003 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 130' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 129' ' ' GLY . . . -57.74 -156.42 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.014 -0.834 . . . . 10.0 111.014 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 131' ' ' ASN . . . . . 0.427 ' O ' ' CB ' ' A' ' 132' ' ' GLU . 72.9 m-80 -152.59 127.52 9.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 0.758 . . . . 10.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.427 ' CB ' ' O ' ' A' ' 131' ' ' ASN . 4.3 tt0 80.71 -2.58 1.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 10.0 110.321 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -120.07 -52.71 2.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 10.0 110.317 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 5.9 p -80.78 -35.23 33.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.143 . . . . 10.0 110.029 179.924 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -61.12 -13.9 20.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 10.0 110.38 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 33.9 mttt -114.64 -52.44 2.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 10.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 37.4 p -123.34 -96.04 0.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 10.0 110.397 179.999 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 138' ' ' GLY . . . . . 0.408 ' C ' ' N ' ' A' ' 140' ' ' ALA . . . -171.64 35.95 0.16 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.549 1.156 . . . . 10.0 111.039 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 42.41 30.6 0.22 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 0.743 . . . . 10.0 109.334 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.514 ' HB1' ' C ' ' A' ' 122' ' ' LYS . . . -92.81 -60.94 1.69 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.488 1.118 . . . . 10.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -157.92 -108.69 0.27 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.517 1.136 . . . . 10.0 111.038 179.976 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.88 -160.41 1.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 0.774 . . . . 10.0 109.96 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 143' ' ' ARG . . . . . 0.57 ' HB3' HG11 ' A' ' 118' ' ' VAL . 0.3 OUTLIER -93.94 125.01 38.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 10.0 110.273 -179.964 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.589 ' O ' HG13 ' A' ' 118' ' ' VAL . 28.7 mt -136.51 153.68 50.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 10.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 145' ' ' ALA . . . . . 0.604 ' HB3' HG22 ' A' ' 119' ' ' VAL . . . 72.93 160.95 0.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 10.0 109.257 179.959 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 7.2 p -154.37 63.76 0.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 10.0 108.272 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 147' ' ' GLY . . . . . 0.658 ' C ' ' HB1' ' A' ' 6' ' ' ALA . . . -75.78 61.49 2.89 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.512 1.132 . . . . 10.0 111.003 179.963 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 1.001 HG23 HG23 ' A' ' 116' ' ' THR . 2.3 t -70.15 138.45 22.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.452 0.737 . . . . 10.0 109.288 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 149' ' ' ILE . . . . . 0.823 HG23 ' HB1' ' A' ' 4' ' ' ALA . 4.4 mp -71.89 123.41 26.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 10.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -139.71 115.49 1.1 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.459 1.099 . . . . 10.0 111.031 179.962 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 21.4 mm -41.52 144.12 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.496 0.762 . . . . 10.0 109.309 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 152' ' ' ALA . . . . . 0.521 ' CB ' HG23 ' A' ' 5' ' ' VAL . . . -143.98 175.04 10.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 10.0 109.323 -179.978 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 3.8 pm0 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 10.0 110.326 179.945 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.435 HG22 HD12 ' A' ' 151' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.379 -0.23 . . . . 10.0 110.379 . . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.83 105.16 16.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.091 . . . . 10.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 1.01 ' HB1' HG23 ' A' ' 149' ' ' ILE . . . -84.44 159.1 20.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 10.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.518 ' CG2' ' CB ' ' A' ' 152' ' ' ALA . 1.5 t -131.37 144.04 38.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 10.0 109.266 -179.959 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.929 ' HB3' ' CG1' ' A' ' 18' ' ' ILE . . . -151.1 88.76 1.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 10.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.677 ' O ' HG23 ' A' ' 7' ' ' VAL . 8.4 m -82.55 99.11 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 10.0 109.294 179.951 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.704 HD13 ' H ' ' A' ' 147' ' ' GLY . 3.4 mm? -48.87 140.83 8.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 10.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 26.3 tttt -176.44 140.8 0.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 10.0 109.293 -179.975 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 172.4 -71.01 0.11 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.458 1.099 . . . . 10.0 111.02 179.956 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -63.02 -59.98 4.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 0.752 . . . . 10.0 109.28 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.409 ' N ' ' CD ' ' A' ' 13' ' ' PRO . . . 155.98 -55.88 0.4 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.497 1.123 . . . . 10.0 111.03 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.412 ' O ' ' O ' ' A' ' 36' ' ' LYS . 18.4 Cg_endo -74.99 -31.65 6.05 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.521 1.801 . . . . 10.0 111.036 179.97 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.818 HG11 ' HB2' ' A' ' 145' ' ' ALA . 2.3 t -76.61 94.95 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 10.0 109.331 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.425 ' HA ' ' O ' ' A' ' 8' ' ' LEU . 0.3 OUTLIER -122.53 36.84 4.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 10.0 110.338 179.999 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.476 ' CA ' ' HB2' ' A' ' 8' ' ' LEU . . . -51.64 166.77 0.8 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.497 1.123 . . . . 10.0 110.995 -179.973 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.431 HG13 ' C ' ' A' ' 16' ' ' GLY . 60.6 mt -143.03 111.48 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 0.765 . . . . 10.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.938 HD11 HD11 ' A' ' 149' ' ' ILE . 0.5 OUTLIER -105.89 161.1 5.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 10.0 109.336 179.972 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.853 ' N ' HD12 ' A' ' 18' ' ' ILE . 0.1 OUTLIER -152.21 120.6 6.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 10.0 109.332 179.996 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.938 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 2.7 m-30 -103.94 106.61 17.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 10.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -96.71 150.12 21.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 10.0 110.32 179.983 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -137.37 65.15 1.5 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 10.0 110.305 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.6 mttt -76.35 56.62 1.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 10.0 109.27 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -155.46 172.16 18.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 10.0 110.32 179.958 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.7 m -71.11 56.5 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 10.0 110.001 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 63.55 30.59 15.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 10.0 109.292 179.979 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -88.47 -113.57 1.2 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.497 1.123 . . . . 10.0 111.028 179.965 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.453 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 18.1 Cg_endo -75.04 166.15 29.76 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.547 1.814 . . . . 10.0 110.951 -179.97 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.685 HG21 ' CD1' ' A' ' 106' ' ' LEU . 21.2 t -128.96 107.55 15.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 10.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.26 96.08 0.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 10.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.852 HG13 ' CE1' ' A' ' 20' ' ' PHE . 32.5 t -84.81 134.24 27.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 10.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -168.03 162.28 13.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 10.0 107.998 179.962 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.415 ' O ' ' HA ' ' A' ' 96' ' ' ASP . . . 175.62 -170.57 43.59 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.513 1.133 . . . . 10.0 110.993 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.2 t -155.62 118.75 4.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 0.741 . . . . 10.0 110.008 179.969 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.688 HG21 HD13 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -84.07 165.43 2.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.121 . . . . 10.0 109.301 179.998 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.488 ' N ' HG23 ' A' ' 35' ' ' ILE . 35.0 mttt -155.49 115.07 3.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 10.0 109.33 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.455 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 133.44 -43.02 1.31 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.447 1.092 . . . . 10.0 111.024 -179.983 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.688 HD13 HG21 ' A' ' 35' ' ' ILE . 0.2 OUTLIER -52.76 -170.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 0.767 . . . . 10.0 109.283 -179.982 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.435 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 43.4 p -126.34 149.86 48.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 10.0 110.413 -179.954 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.8 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 0.2 OUTLIER -54.65 124.86 17.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.15 . . . . 10.0 110.283 -179.998 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 131.13 -179.51 16.95 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.519 1.137 . . . . 10.0 111.04 -179.988 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.822 HD23 ' ND2' ' A' ' 86' ' ' ASN . 4.6 mp -64.04 140.09 58.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 0.771 . . . . 10.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.435 ' CD2' ' O ' ' A' ' 39' ' ' THR . 75.4 m-70 -152.28 173.99 14.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 10.0 109.599 179.975 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.77 158.08 23.21 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.474 1.109 . . . . 10.0 110.993 179.978 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.561 ' CE1' ' HB3' ' A' ' 117' ' ' LEU . 73.1 t80 178.12 87.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 0.791 . . . . 10.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.487 ' HA ' HD13 ' A' ' 117' ' ' LEU . 0.0 OUTLIER -154.51 166.4 33.42 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.507 1.129 . . . . 10.0 109.606 179.983 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.571 HG13 ' H ' ' A' ' 116' ' ' THR . 41.9 t -76.0 169.58 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.103 . . . . 10.0 109.316 -179.957 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.542 ' N ' HG12 ' A' ' 47' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 10.0 109.585 -179.967 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.417 ' O ' ' CB ' ' A' ' 83' ' ' ASP . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 111.019 -0.832 . . . . 10.0 111.019 . . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.417 ' CB ' ' O ' ' A' ' 82' ' ' GLY . 0.2 OUTLIER 75.96 165.93 0.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 0.776 . . . . 10.0 109.287 179.976 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.866 HD13 HG12 ' A' ' 87' ' ' VAL . 0.1 OUTLIER 70.11 105.52 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 10.0 109.256 179.98 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -41.72 -73.08 0.23 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.526 1.141 . . . . 10.0 110.978 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.822 ' ND2' HD23 ' A' ' 42' ' ' LEU . 1.1 t30 -145.7 151.49 38.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 0.749 . . . . 10.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.866 HG12 HD13 ' A' ' 84' ' ' LEU . 3.1 m -108.78 162.75 6.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 10.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 6.0 m -124.97 141.97 51.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 10.0 110.432 179.947 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.8 ' HB3' ' HA ' ' A' ' 40' ' ' GLU . . . -85.32 172.61 10.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 10.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.459 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 6.3 t0 -82.35 -95.7 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 10.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.459 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 58.6 pttt -139.04 11.67 2.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 10.0 109.331 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -154.66 24.18 0.46 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 10.0 109.354 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.517 ' CA ' ' HB1' ' A' ' 89' ' ' ALA . . . 89.71 -32.0 5.0 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.46 1.1 . . . . 10.0 110.993 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.487 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 20.4 t -40.73 98.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 0.765 . . . . 10.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 93' ' ' GLY . . . -106.31 116.75 32.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 10.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.415 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 4.4 p-10 -108.93 151.82 25.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 10.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.415 HG12 ' N ' ' A' ' 98' ' ' SER . 44.1 t -120.3 161.94 19.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 10.0 109.29 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.415 ' N ' HG12 ' A' ' 97' ' ' VAL . 18.5 p -170.81 86.58 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 10.0 109.981 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 28.1 mt -134.29 153.87 36.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 10.0 109.275 -179.972 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -128.33 91.45 3.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 10.0 110.32 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.453 ' O ' ' CB ' ' A' ' 28' ' ' PRO . 0.3 OUTLIER -91.88 147.87 22.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 10.0 109.346 179.996 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 10.8 p -125.37 8.76 7.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 10.0 109.977 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 5.5 t -89.45 -53.14 9.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.158 . . . . 10.0 109.344 179.957 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.786 ' C ' HD12 ' A' ' 104' ' ' ILE . 1.7 pp -70.06 178.3 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 10.0 109.249 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.87 161.19 36.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 10.0 110.024 179.977 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.685 ' CD1' HG21 ' A' ' 29' ' ' VAL . 7.4 mp -83.59 -39.38 20.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 10.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -149.69 113.1 4.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 10.0 109.973 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 173.53 -73.7 0.09 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.446 1.091 . . . . 10.0 111.038 -179.995 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -142.28 -47.35 0.34 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 0.752 . . . . 10.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 26.6 m80 -99.5 47.81 0.95 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 10.0 109.632 179.977 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 92.2 p -48.18 117.5 1.97 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 10.0 110.026 -179.956 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.461 ' CG2' ' HB ' ' A' ' 104' ' ' ILE . 2.2 pp -92.76 -26.28 4.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 10.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.654 HD11 HD23 ' A' ' 106' ' ' LEU . 37.5 mm -40.0 104.93 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 10.0 109.25 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 121.91 36.26 0.73 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.483 1.115 . . . . 10.0 110.972 179.949 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.565 HH11 HG21 ' A' ' 47' ' ' VAL . 0.1 OUTLIER -84.58 105.52 15.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 0.747 . . . . 10.0 110.33 179.984 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.739 ' O ' HG23 ' A' ' 118' ' ' VAL . 11.1 m -90.13 64.9 6.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 10.0 110.348 -179.947 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.561 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 3.9 mm? -51.42 107.14 0.17 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.464 1.103 . . . . 10.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 1.013 HG22 ' O ' ' A' ' 145' ' ' ALA . 70.0 t -111.62 134.68 53.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 10.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 11.4 m -93.69 135.35 28.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 10.0 109.309 179.983 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 120' ' ' HIS . . . . . 0.557 ' CE1' ' HA2' ' A' ' 141' ' ' GLY . 0.0 OUTLIER -84.98 146.84 27.01 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.134 . . . . 10.0 109.64 179.982 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.533 ' CG ' ' CB ' ' A' ' 142' ' ' SER . 0.1 OUTLIER -33.79 -50.11 0.35 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.098 . . . . 10.0 110.317 -179.983 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.504 ' H ' ' HB1' ' A' ' 140' ' ' ALA . 0.3 OUTLIER -135.88 -162.23 1.25 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 10.0 109.272 179.946 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.607 ' HB2' ' C ' ' A' ' 42' ' ' LEU . . . -84.38 -175.25 5.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 10.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -136.62 79.07 1.74 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 10.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.0 -27.92 68.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 10.0 109.282 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.861 HD23 ' HA ' ' A' ' 135' ' ' THR . 1.9 mt 61.71 14.88 6.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 10.0 109.307 -179.966 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 127' ' ' GLY . . . . . 0.429 ' O ' ' N ' ' A' ' 130' ' ' GLY . . . -125.6 -76.13 0.26 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.44 1.088 . . . . 10.0 111.014 179.969 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 40.75 35.03 0.29 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 0.768 . . . . 10.0 109.277 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 52.37 46.19 57.89 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.504 1.127 . . . . 10.0 110.99 179.96 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 130' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 127' ' ' GLY . . . -174.92 175.78 47.05 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.029 -0.829 . . . . 10.0 111.029 -179.983 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 131' ' ' ASN . . . . . 0.513 ' O ' ' CB ' ' A' ' 132' ' ' GLU . 2.4 m-80 -151.36 105.02 3.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 0.801 . . . . 10.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.513 ' CB ' ' O ' ' A' ' 131' ' ' ASN . 2.4 mt-10 160.05 -25.51 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 10.0 110.322 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.31 -69.79 0.84 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 10.0 110.264 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 134' ' ' SER . . . . . 0.512 ' HA ' ' CA ' ' A' ' 138' ' ' GLY . 0.0 OUTLIER -65.59 -40.78 93.08 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.491 1.119 . . . . 10.0 110.012 -179.983 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 135' ' ' THR . . . . . 0.861 ' HA ' HD23 ' A' ' 126' ' ' LEU . 0.7 OUTLIER -69.23 -4.72 18.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 10.0 110.375 179.987 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -105.17 -51.29 3.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 10.0 109.316 -179.99 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 50.3 p -122.83 -34.37 3.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.137 . . . . 10.0 110.395 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 138' ' ' GLY . . . . . 0.512 ' CA ' ' HA ' ' A' ' 134' ' ' SER . . . 113.9 17.55 7.32 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.452 1.095 . . . . 10.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 139' ' ' ASN . . . . . 0.423 ' N ' ' HA ' ' A' ' 134' ' ' SER . 14.9 t-20 59.72 71.12 0.59 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 0.761 . . . . 10.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.504 ' HB1' ' H ' ' A' ' 122' ' ' LYS . . . -172.43 -68.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 10.0 109.315 -179.962 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 141' ' ' GLY . . . . . 0.557 ' HA2' ' CE1' ' A' ' 120' ' ' HIS . . . 49.83 105.24 0.01 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.527 1.142 . . . . 10.0 111.0 179.983 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 142' ' ' SER . . . . . 0.575 ' O ' HD23 ' A' ' 144' ' ' LEU . 0.4 OUTLIER 178.91 94.56 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.442 0.731 . . . . 10.0 109.979 179.994 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 143' ' ' ARG . . . . . 1.009 ' HG2' HG11 ' A' ' 118' ' ' VAL . 1.0 OUTLIER -77.46 111.05 12.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 10.0 110.308 179.975 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.688 ' O ' HG13 ' A' ' 118' ' ' VAL . 0.4 OUTLIER -142.88 146.44 34.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 10.0 109.315 179.979 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 145' ' ' ALA . . . . . 1.013 ' O ' HG22 ' A' ' 118' ' ' VAL . . . 79.49 143.38 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 10.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 146' ' ' CYS . . . . . 0.546 ' HB2' HG23 ' A' ' 116' ' ' THR . 6.5 p -155.46 58.26 0.63 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 10.0 108.291 179.975 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 147' ' ' GLY . . . . . 0.704 ' H ' HD13 ' A' ' 8' ' ' LEU . . . -36.2 -52.84 1.28 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.462 1.101 . . . . 10.0 111.023 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.581 HG23 HG23 ' A' ' 116' ' ' THR . 4.1 t 63.94 127.86 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.499 0.764 . . . . 10.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 149' ' ' ILE . . . . . 1.01 HG23 ' HB1' ' A' ' 4' ' ' ALA . 21.5 mm -85.83 128.01 39.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 10.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -140.82 113.42 0.86 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.501 1.125 . . . . 10.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 151' ' ' ILE . . . . . 0.539 HD11 HD23 ' A' ' 106' ' ' LEU . 16.2 mm -41.18 139.61 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.522 0.778 . . . . 10.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 152' ' ' ALA . . . . . 0.518 ' CB ' ' CG2' ' A' ' 5' ' ' VAL . . . -137.03 165.73 25.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 10.0 109.339 179.955 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 10.0 110.268 -179.959 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.979 HG22 HD12 ' A' ' 151' ' ' ILE . 1.8 m . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.4 -0.222 . . . . 10.0 110.4 . . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.15 139.98 30.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 10.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.998 ' HB3' ' HB2' ' A' ' 20' ' ' PHE . . . -122.63 162.81 21.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.137 . . . . 10.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.463 HG23 ' HB2' ' A' ' 152' ' ' ALA . 2.4 t -131.46 151.67 35.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 10.0 109.301 179.954 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.628 ' HB3' HG23 ' A' ' 18' ' ' ILE . . . -155.9 88.8 1.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 10.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.522 ' O ' HG23 ' A' ' 7' ' ' VAL . 10.1 m -88.79 112.14 23.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 10.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.676 HD23 ' N ' ' A' ' 8' ' ' LEU . 0.3 OUTLIER -62.79 117.83 6.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 10.0 109.313 179.99 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -150.32 112.19 4.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 10.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.455 ' O ' ' C ' ' A' ' 11' ' ' ASP . . . -167.21 -103.67 0.17 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.521 1.138 . . . . 10.0 110.986 179.947 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.717 ' OD2' HD22 ' A' ' 144' ' ' LEU . 39.6 t0 -35.86 -46.72 0.47 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 0.779 . . . . 10.0 109.34 -179.97 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 134.69 -63.03 0.61 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.499 1.124 . . . . 10.0 111.022 179.962 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.478 ' C ' HG23 ' A' ' 14' ' ' VAL . 18.2 Cg_endo -75.02 46.02 1.46 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.458 1.767 . . . . 10.0 111.004 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.478 HG23 ' C ' ' A' ' 13' ' ' PRO . 50.5 t -155.11 59.72 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 10.0 109.329 -180.0 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -90.29 53.28 2.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 10.0 110.312 -179.985 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.474 ' CA ' ' HA ' ' A' ' 35' ' ' ILE . . . -74.55 151.66 43.48 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.471 1.107 . . . . 10.0 111.015 179.979 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 91.6 mt -126.9 96.91 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.479 0.753 . . . . 10.0 109.324 -179.986 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.628 HG23 ' HB3' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -115.24 150.24 17.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 10.0 109.312 -179.999 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.428 ' OD1' ' C ' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -140.87 169.57 17.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 10.0 109.316 179.996 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.998 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 6.5 m-85 -123.19 143.08 50.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.095 . . . . 10.0 111.021 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -131.45 139.68 49.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 10.0 110.299 -179.973 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -151.45 88.48 1.43 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.561 1.163 . . . . 10.0 110.311 179.988 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.77 42.57 1.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 10.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.402 ' HB3' ' N ' ' A' ' 27' ' ' GLY . 7.6 mm-40 -155.51 142.41 19.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.562 1.164 . . . . 10.0 110.299 -179.976 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.86 -2.34 58.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 10.0 109.984 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -163.63 35.08 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 10.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.402 ' N ' ' HB3' ' A' ' 24' ' ' GLU . . . -119.27 -167.86 13.84 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.461 1.101 . . . . 10.0 111.004 179.963 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.479 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 18.3 Cg_endo -75.02 176.59 9.71 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.494 1.786 . . . . 10.0 111.003 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 49.1 t -125.02 103.56 12.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 10.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -69.63 96.0 0.91 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 10.0 109.268 -179.97 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 98.3 t -97.53 142.43 14.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 10.0 109.298 179.975 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 7.1 p90 -161.03 149.49 16.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 10.0 108.023 179.989 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.442 ' CA ' ' HA ' ' A' ' 18' ' ' ILE . . . -163.46 -169.64 27.22 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.546 1.153 . . . . 10.0 110.963 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.9 m -157.78 121.47 4.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 0.775 . . . . 10.0 110.034 -179.995 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.643 ' HB ' ' HB3' ' A' ' 95' ' ' ALA . 0.4 OUTLIER -84.79 167.42 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 10.0 109.29 -179.964 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.51 ' N ' HG23 ' A' ' 35' ' ' ILE . 27.8 mttt -155.78 114.61 3.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 10.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.439 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 132.35 -43.94 1.24 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.498 1.124 . . . . 10.0 111.053 -179.966 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 1.111 HD22 ' CE1' ' A' ' 43' ' ' HIS . 0.3 OUTLIER -55.54 -164.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 0.753 . . . . 10.0 109.333 179.988 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.9 p -142.7 153.06 43.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 10.0 110.417 179.985 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.895 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 0.6 OUTLIER -51.94 122.33 8.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 10.0 110.292 179.998 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 146.33 158.34 7.72 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.455 1.097 . . . . 10.0 111.012 179.97 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.525 ' C ' ' HB2' ' A' ' 123' ' ' ALA . 0.8 OUTLIER -62.07 137.88 58.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 0.764 . . . . 10.0 109.278 -179.94 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 1.111 ' CE1' HD22 ' A' ' 38' ' ' LEU . 23.3 m170 -123.09 162.54 22.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 10.0 109.654 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.554 ' HA3' ' CG ' ' A' ' 120' ' ' HIS . . . -56.01 -169.45 0.08 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.525 1.141 . . . . 10.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.568 ' CZ ' ' HB2' ' A' ' 124' ' ' ASP . 14.1 m-85 -104.23 154.13 20.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 0.753 . . . . 10.0 110.962 -179.974 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.549 ' CG ' HD13 ' A' ' 117' ' ' LEU . 5.0 m-70 -72.99 173.85 8.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 10.0 109.595 179.965 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.431 ' O ' ' O ' ' A' ' 46' ' ' HIS . 5.6 t 59.04 117.61 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 10.0 109.296 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.458 ' O ' ' ND1' ' A' ' 48' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 10.0 109.599 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.026 -0.829 . . . . 10.0 111.026 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -39.89 -57.43 1.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 0.755 . . . . 10.0 109.254 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 80.55 -73.07 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 10.0 109.336 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 168.75 167.42 29.36 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.476 1.11 . . . . 10.0 110.993 179.955 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 11.3 p30 -83.64 137.83 33.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 0.745 . . . . 10.0 109.333 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.523 HG11 ' NE2' ' A' ' 46' ' ' HIS . 16.0 m -94.2 170.45 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 10.0 109.324 -179.976 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 6.4 m -143.0 151.13 40.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.113 . . . . 10.0 110.421 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.895 ' HB3' ' HA ' ' A' ' 40' ' ' GLU . . . -84.28 164.1 19.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.157 . . . . 10.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.453 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 12.5 t0 -72.8 -96.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.433 1.083 . . . . 10.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.453 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 12.9 ptpt -137.13 10.01 3.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 10.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -158.34 25.7 0.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 10.0 109.344 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.599 ' CA ' ' HB1' ' A' ' 89' ' ' ALA . . . 96.77 -41.71 2.32 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.501 1.126 . . . . 10.0 111.042 -179.959 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.463 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 22.8 t -39.3 96.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.501 0.765 . . . . 10.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.643 ' HB3' ' HB ' ' A' ' 35' ' ' ILE . . . -95.27 113.7 25.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 10.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.423 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 1.4 t70 -100.33 145.89 27.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 10.0 109.266 -179.961 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.532 HG13 HD12 ' A' ' 99' ' ' ILE . 54.1 t -117.55 156.02 19.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 10.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 70.5 p -177.56 84.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 10.0 109.983 179.992 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.532 HD12 HG13 ' A' ' 97' ' ' VAL . 1.7 mp -129.96 147.93 33.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 10.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -121.28 91.08 3.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 10.0 110.304 180.0 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.479 ' O ' ' CB ' ' A' ' 28' ' ' PRO . 0.4 OUTLIER -92.44 133.33 36.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 10.0 109.301 -179.964 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.422 ' CA ' ' HB3' ' A' ' 28' ' ' PRO . 98.1 p -115.81 41.19 2.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 10.0 110.018 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 50.6 t -126.73 -58.65 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 10.0 109.266 -179.91 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.73 ' C ' HD12 ' A' ' 104' ' ' ILE . 1.7 pp -52.56 176.38 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 10.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -145.31 145.79 31.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 10.0 110.028 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -52.38 -57.5 9.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 10.0 109.284 -179.972 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.42 84.47 0.98 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.125 . . . . 10.0 110.07 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.607 ' O ' ' CB ' ' A' ' 109' ' ' ASP . . . 147.53 113.98 0.78 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.513 1.133 . . . . 10.0 110.997 -179.966 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.607 ' CB ' ' O ' ' A' ' 108' ' ' GLY . 9.6 t70 90.58 -44.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 0.768 . . . . 10.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 110' ' ' HIS . . . . . 0.458 ' CB ' ' HA ' ' A' ' 104' ' ' ILE . 75.8 m80 -155.77 52.42 0.57 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 10.0 109.604 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 61.6 p -46.78 115.66 1.12 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.43 1.081 . . . . 10.0 110.049 179.948 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.579 HD12 ' CD2' ' A' ' 20' ' ' PHE . 16.9 pt -84.19 -25.63 7.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 10.0 109.27 -179.963 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 48.2 mm -46.55 108.56 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 10.0 109.299 -179.963 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 113.72 16.29 8.15 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.539 1.149 . . . . 10.0 110.974 179.965 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.509 ' O ' HD22 ' A' ' 117' ' ' LEU . 4.4 mmt85 -97.32 66.23 2.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 0.744 . . . . 10.0 110.325 179.971 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.898 HG23 HG13 ' A' ' 118' ' ' VAL . 11.2 t -51.99 144.9 10.99 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.111 . . . . 10.0 110.425 -179.976 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.567 HD23 HD11 ' A' ' 149' ' ' ILE . 4.5 mm? -106.8 76.75 1.13 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 10.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.898 HG13 HG23 ' A' ' 116' ' ' THR . 1.2 m -92.91 175.11 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 10.0 109.344 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.616 HG11 ' CD1' ' A' ' 38' ' ' LEU . 34.8 m -123.24 121.5 63.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 10.0 109.258 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 120' ' ' HIS . . . . . 0.682 ' CD2' ' C ' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -84.12 113.39 21.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 10.0 109.609 179.964 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.578 ' O ' ' CD2' ' A' ' 120' ' ' HIS . 0.3 OUTLIER -35.95 121.6 0.66 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 10.0 110.324 179.957 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 120' ' ' HIS . 0.0 OUTLIER 72.44 152.11 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.554 1.159 . . . . 10.0 109.335 -179.96 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.525 ' HB2' ' C ' ' A' ' 42' ' ' LEU . . . -91.23 -178.24 5.1 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 10.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.568 ' HB2' ' CZ ' ' A' ' 45' ' ' PHE . 14.1 t0 -88.53 84.95 6.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 10.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 125' ' ' ASP . . . . . 0.461 ' CB ' ' CG ' ' A' ' 128' ' ' LYS . 0.3 OUTLIER -56.1 -20.43 17.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 10.0 109.252 -179.969 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 8.2 mt 59.13 20.5 8.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 10.0 109.283 179.989 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 161.03 94.55 0.1 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.545 1.153 . . . . 10.0 110.965 179.961 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.461 ' CG ' ' CB ' ' A' ' 125' ' ' ASP . 3.3 mtpm? -118.78 -75.66 0.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 0.75 . . . . 10.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -94.41 -31.86 7.69 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.504 1.127 . . . . 10.0 111.0 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -173.11 -131.03 1.32 Allowed Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.983 -0.847 . . . . 10.0 110.983 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 131' ' ' ASN . . . . . 0.489 ' O ' ' CG ' ' A' ' 132' ' ' GLU . 7.2 m-80 -139.42 101.59 4.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 0.744 . . . . 10.0 109.252 -179.97 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.489 ' CG ' ' O ' ' A' ' 131' ' ' ASN . 3.9 mt-10 164.5 -29.09 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 10.0 110.326 179.986 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 133' ' ' GLN . . . . . 0.496 ' CB ' ' OD1' ' A' ' 139' ' ' ASN . 0.1 OUTLIER -95.01 -53.77 3.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 10.0 110.292 179.968 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 26.1 p -81.74 -20.65 38.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 10.0 109.976 -179.992 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 135' ' ' THR . . . . . 0.424 ' OG1' ' CA ' ' A' ' 132' ' ' GLU . 1.8 p -58.09 -25.77 61.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 10.0 110.37 -179.942 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -109.94 -51.13 2.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 10.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 24.4 p -122.89 -123.07 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 10.0 110.394 179.971 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 138' ' ' GLY . . . . . 0.403 ' N ' ' HE1' ' A' ' 120' ' ' HIS . . . -140.98 42.1 1.21 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.498 1.124 . . . . 10.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 139' ' ' ASN . . . . . 0.496 ' OD1' ' CB ' ' A' ' 133' ' ' GLN . 0.4 OUTLIER 40.87 37.81 0.57 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 0.745 . . . . 10.0 109.331 179.994 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.504 ' HB3' ' O ' ' A' ' 121' ' ' GLU . . . -141.42 -56.26 0.48 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 10.0 109.294 179.971 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 141' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 140' ' ' ALA . . . 36.01 65.46 0.49 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.534 1.146 . . . . 10.0 111.01 -179.963 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 142' ' ' SER . . . . . 0.463 ' CB ' ' HB2' ' A' ' 121' ' ' GLU . 0.1 OUTLIER -126.96 86.56 2.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 0.764 . . . . 10.0 110.003 179.987 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 143' ' ' ARG . . . . . 0.458 ' O ' HD23 ' A' ' 144' ' ' LEU . 0.1 OUTLIER -52.11 177.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 10.0 110.312 179.979 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.717 HD22 ' OD2' ' A' ' 11' ' ' ASP . 87.6 mt -150.5 -72.94 0.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 10.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 145' ' ' ALA . . . . . 0.418 ' O ' ' HB ' ' A' ' 118' ' ' VAL . . . -106.7 175.71 5.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 10.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 146' ' ' CYS . . . . . 0.811 ' HA ' HG12 ' A' ' 118' ' ' VAL . 30.2 p -156.1 72.61 0.77 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 10.0 108.305 179.963 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -48.23 -53.36 15.63 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.471 1.107 . . . . 10.0 110.977 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.655 HG22 ' HB ' ' A' ' 116' ' ' THR . 37.5 t 65.32 127.83 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.529 0.782 . . . . 10.0 109.312 -179.962 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 149' ' ' ILE . . . . . 0.622 HD12 ' CE1' ' A' ' 20' ' ' PHE . 5.3 mm -68.55 144.1 14.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 10.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -155.29 108.64 0.37 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.474 1.109 . . . . 10.0 110.993 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 151' ' ' ILE . . . . . 0.979 HD12 HG22 ' A' ' 2' ' ' THR . 14.6 mm -44.89 148.15 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.455 0.738 . . . . 10.0 109.233 -179.959 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 152' ' ' ALA . . . . . 0.463 ' HB2' HG23 ' A' ' 5' ' ' VAL . . . -134.55 169.44 17.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 10.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 10.0 110.256 179.996 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.5 m . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.419 -0.215 . . . . 10.0 110.419 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.433 ' CG ' ' O ' ' A' ' 20' ' ' PHE . 8.1 ttmt -121.45 130.7 53.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 10.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.941 ' HB3' ' HB2' ' A' ' 20' ' ' PHE . . . -100.52 159.23 15.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.092 . . . . 10.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.423 HG23 ' HB3' ' A' ' 152' ' ' ALA . 2.0 t -140.75 154.03 21.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 10.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.687 ' HB1' ' O ' ' A' ' 147' ' ' GLY . . . -152.7 91.48 1.56 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 10.0 109.322 -179.981 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.492 HG23 ' CD1' ' A' ' 17' ' ' ILE . 4.5 p -81.61 91.18 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 10.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.604 HD22 ' HA3' ' A' ' 147' ' ' GLY . 0.5 OUTLIER -39.07 126.37 1.62 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 10.0 109.296 179.991 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 10' ' ' GLY . 0.9 OUTLIER -78.98 -37.34 39.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 10.0 109.293 179.992 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.478 ' CA ' ' HB ' ' A' ' 14' ' ' VAL . . . 59.55 123.13 0.01 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.526 1.141 . . . . 10.0 110.993 179.975 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 10' ' ' GLY . 16.3 t0 -38.02 -31.38 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 0.783 . . . . 10.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -170.06 -63.71 0.04 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.493 1.121 . . . . 10.0 111.022 179.953 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.427 ' O ' ' C ' ' A' ' 14' ' ' VAL . 18.5 Cg_endo -74.94 -58.98 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.52 1.8 . . . . 10.0 111.021 179.97 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.478 ' HB ' ' CA ' ' A' ' 10' ' ' GLY . 36.4 t -37.15 142.27 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.117 . . . . 10.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -169.0 42.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 10.0 110.302 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.473 ' N ' ' HB2' ' A' ' 8' ' ' LEU . . . -59.5 169.48 6.61 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.475 1.109 . . . . 10.0 110.984 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.492 ' CD1' HG23 ' A' ' 7' ' ' VAL . 21.4 mm -141.63 98.29 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.432 0.725 . . . . 10.0 109.3 -179.957 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.828 HD12 ' H ' ' A' ' 19' ' ' ASN . 0.4 OUTLIER -114.15 138.84 42.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 10.0 109.308 179.982 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.828 ' H ' HD12 ' A' ' 18' ' ' ILE . 0.1 OUTLIER -141.34 149.52 41.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 10.0 109.297 -179.972 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.941 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 6.8 m-30 -108.75 138.2 45.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 10.0 110.99 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.502 ' HB2' ' CH2' ' A' ' 32' ' ' TRP . 8.9 tp10 -119.68 130.46 55.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 10.0 110.288 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.442 ' HG3' HG22 ' A' ' 29' ' ' VAL . 2.8 tt0 -147.84 65.72 1.11 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 10.0 110.335 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.5 mttt -75.94 57.49 1.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 10.0 109.266 -179.931 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.495 ' O ' ' CB ' ' A' ' 25' ' ' SER . 1.5 mm-40 -155.2 -44.88 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.152 . . . . 10.0 110.306 -179.982 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 0.4 OUTLIER 85.41 -11.52 0.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 10.0 109.98 179.964 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -157.75 25.94 0.28 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 10.0 109.339 179.981 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -122.27 -152.88 8.73 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.473 1.108 . . . . 10.0 110.967 -179.978 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 146.86 33.13 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.466 1.771 . . . . 10.0 110.947 -179.969 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.537 HG12 HG23 ' A' ' 31' ' ' VAL . 28.8 t -106.92 87.9 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 10.0 109.271 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.497 ' O ' ' CZ3' ' A' ' 32' ' ' TRP . 18.0 mttt -63.96 93.0 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 10.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.864 HG22 ' CD1' ' A' ' 20' ' ' PHE . 21.8 t -96.25 137.57 23.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 10.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.502 ' CH2' ' HB2' ' A' ' 21' ' ' GLU . 26.4 p90 -160.2 145.45 14.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 10.0 107.987 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.435 ' O ' ' HA ' ' A' ' 96' ' ' ASP . . . -157.99 -173.49 26.48 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.456 1.097 . . . . 10.0 110.966 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.5 t -156.92 123.45 5.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 0.771 . . . . 10.0 110.009 179.965 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.52 ' O ' ' CG ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -84.45 163.57 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.16 . . . . 10.0 109.326 179.968 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.52 ' CG ' ' O ' ' A' ' 35' ' ' ILE . 62.3 mttt -157.44 108.18 2.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.575 1.172 . . . . 10.0 109.26 179.976 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.445 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 144.43 -51.08 0.64 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.492 1.12 . . . . 10.0 111.003 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.991 HD22 ' CE1' ' A' ' 43' ' ' HIS . 1.8 mp -53.46 -170.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 0.769 . . . . 10.0 109.278 -179.957 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 40' ' ' GLU . 39.0 p -136.3 145.62 45.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.09 . . . . 10.0 110.396 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.675 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 10.0 pt-20 -37.76 128.03 1.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 10.0 110.283 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.423 ' O ' ' HA ' ' A' ' 88' ' ' THR . . . 151.45 -128.93 2.7 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.499 1.124 . . . . 10.0 111.012 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.476 HD22 ' HB1' ' A' ' 123' ' ' ALA . 1.6 mp -96.42 177.29 5.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 0.759 . . . . 10.0 109.276 -179.954 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.991 ' CE1' HD22 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -153.33 113.96 4.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 10.0 109.619 179.954 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.592 ' HA3' ' CE1' ' A' ' 120' ' ' HIS . . . -62.2 101.28 0.36 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.469 1.106 . . . . 10.0 110.976 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.411 ' O ' ' OD1' ' A' ' 83' ' ' ASP . 30.9 t80 -81.68 61.72 5.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 0.76 . . . . 10.0 110.999 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.464 ' O ' HG23 ' A' ' 47' ' ' VAL . 22.3 m170 -60.48 174.91 0.5 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.15 . . . . 10.0 109.548 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.708 ' O ' HG12 ' A' ' 47' ' ' VAL . 47.7 t -154.25 60.29 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 10.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.646 ' ND1' HG22 ' A' ' 116' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 10.0 109.604 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 N-CA-C 111.028 -0.829 . . . . 10.0 111.028 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.484 ' OD1' ' N ' ' A' ' 84' ' ' LEU . 17.5 t0 -48.85 159.48 0.24 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 0.741 . . . . 10.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.484 ' N ' ' OD1' ' A' ' 83' ' ' ASP . 0.3 OUTLIER -107.88 -75.01 0.64 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 10.0 109.34 -179.994 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -155.23 -114.96 0.52 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.53 1.143 . . . . 10.0 110.982 -179.993 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.429 ' N ' ' OD1' ' A' ' 86' ' ' ASN . 0.6 OUTLIER -146.26 157.7 43.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 0.735 . . . . 10.0 109.273 -179.964 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.588 HG12 ' H ' ' A' ' 88' ' ' THR . 9.8 t -111.22 173.17 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.095 . . . . 10.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.588 ' H ' HG12 ' A' ' 87' ' ' VAL . 1.6 m -120.04 137.2 54.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 10.0 110.439 179.953 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.675 ' HB3' ' HA ' ' A' ' 40' ' ' GLU . . . -86.94 175.82 7.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 10.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.454 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 14.2 t0 -82.55 -98.0 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 10.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.454 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 22.2 pttt -137.63 10.37 2.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 10.0 109.32 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -153.29 23.14 0.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 10.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.489 ' C ' ' HB1' ' A' ' 89' ' ' ALA . . . 93.21 -35.54 4.07 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.52 1.137 . . . . 10.0 111.007 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.518 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 20.4 t -39.89 104.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.476 0.75 . . . . 10.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -111.24 119.09 37.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 10.0 109.275 179.995 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.435 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 6.7 p-10 -112.08 149.58 31.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 10.0 109.311 179.962 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.421 HG13 ' N ' ' A' ' 98' ' ' SER . 0.8 OUTLIER -125.46 161.78 29.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 10.0 109.309 -179.973 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.421 ' N ' HG13 ' A' ' 97' ' ' VAL . 29.9 p -169.7 93.91 0.26 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 10.0 109.99 -179.982 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.42 HG22 ' OD1' ' A' ' 101' ' ' ASP . 1.3 mp -125.36 150.43 30.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 10.0 109.32 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.473 ' CG ' ' HG2' ' A' ' 30' ' ' LYS . 0.2 OUTLIER -124.96 86.42 2.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 10.0 110.291 -179.987 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.42 ' OD1' HG22 ' A' ' 99' ' ' ILE . 36.2 m-20 -105.7 144.71 32.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 10.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 89.1 p -118.78 -43.26 2.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 10.0 110.021 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 25.1 t -43.8 -48.49 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 10.0 109.313 179.951 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.763 ' C ' HD12 ' A' ' 104' ' ' ILE . 1.7 pp -63.55 177.23 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 10.0 109.255 -179.953 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.43 167.24 23.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 10.0 110.04 180.0 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 1.037 HD23 HD11 ' A' ' 113' ' ' ILE . 9.1 mp -95.06 -34.19 12.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 10.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -144.57 78.59 1.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 10.0 109.993 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -156.58 -105.06 0.22 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.552 1.157 . . . . 10.0 111.026 -179.99 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -109.15 -25.67 10.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 0.782 . . . . 10.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 110' ' ' HIS . . . . . 0.549 ' ND1' HG22 ' A' ' 104' ' ' ILE . 6.3 m-70 -94.21 -55.99 3.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 10.0 109.613 -179.988 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 31.1 t 43.03 78.48 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 10.0 110.006 179.957 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -85.64 5.33 2.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 10.0 109.281 -179.948 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 1.037 HD11 HD23 ' A' ' 106' ' ' LEU . 7.5 mm -57.58 122.01 6.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 10.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 114' ' ' GLY . . . . . 0.442 ' O ' ' ND1' ' A' ' 48' ' ' HIS . . . 104.01 27.95 6.07 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.499 1.124 . . . . 10.0 110.994 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -85.78 60.51 6.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 0.772 . . . . 10.0 110.302 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.677 ' HB ' HG22 ' A' ' 148' ' ' VAL . 9.1 t -57.17 119.85 7.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 10.0 110.394 -179.96 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.462 ' CD2' HG13 ' A' ' 119' ' ' VAL . 1.4 tp -88.46 99.11 12.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 10.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 1.024 HG12 ' O ' ' A' ' 145' ' ' ALA . 12.3 m -102.14 65.52 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 10.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.462 HG13 ' CD2' ' A' ' 117' ' ' LEU . 17.2 m -49.47 152.85 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 10.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 120' ' ' HIS . . . . . 0.614 ' CD2' ' O ' ' A' ' 122' ' ' LYS . 0.8 OUTLIER -97.29 164.86 12.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 10.0 109.629 179.978 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -90.26 43.34 1.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 10.0 110.273 -179.97 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.614 ' O ' ' CD2' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -171.31 -165.11 0.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 10.0 109.315 179.992 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.476 ' HB1' HD22 ' A' ' 42' ' ' LEU . . . -111.87 -179.43 3.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 10.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.404 ' HA ' ' O ' ' A' ' 138' ' ' GLY . 0.3 OUTLIER -127.96 96.24 4.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 10.0 109.319 180.0 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.49 -9.82 58.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 10.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 9.0 mt 43.88 46.98 6.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 10.0 109.324 -179.989 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -136.63 -130.52 2.9 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.514 1.134 . . . . 10.0 110.991 -179.963 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 130' ' ' GLY . 2.8 mtmt -129.73 -84.09 0.55 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 0.769 . . . . 10.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 67.47 -58.17 0.3 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.519 1.137 . . . . 10.0 111.007 -179.99 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 130' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 128' ' ' LYS . . . -107.68 -149.87 15.48 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.996 -0.842 . . . . 10.0 110.996 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 -155.86 132.79 10.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 0.757 . . . . 10.0 109.335 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 76.92 18.06 1.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 10.0 110.292 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 133' ' ' GLN . . . . . 0.448 ' O ' ' HG3' ' A' ' 136' ' ' LYS . 0.0 OUTLIER -141.39 -68.29 0.39 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 10.0 110.357 179.99 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 134' ' ' SER . . . . . 0.444 ' CB ' ' O ' ' A' ' 128' ' ' LYS . 0.9 OUTLIER -75.96 -14.36 60.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 10.0 110.006 179.993 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 75.8 p -79.76 -19.63 48.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 10.0 110.395 179.978 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' A' ' 133' ' ' GLN . 3.8 ptpt -112.26 -24.05 10.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.097 . . . . 10.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 137' ' ' THR . . . . . 0.564 ' OG1' ' N ' ' A' ' 138' ' ' GLY . 31.0 p -121.97 -86.92 0.65 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 10.0 110.413 179.966 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 138' ' ' GLY . . . . . 0.564 ' N ' ' OG1' ' A' ' 137' ' ' THR . . . 146.91 44.14 0.04 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.484 1.115 . . . . 10.0 111.0 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 2.3 t30 69.83 12.1 7.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 0.795 . . . . 10.0 109.351 -179.957 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.495 ' HB1' ' ND1' ' A' ' 120' ' ' HIS . . . -41.84 -72.9 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 10.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 140.35 -115.04 1.02 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.545 1.153 . . . . 10.0 110.996 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.51 137.97 40.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 0.769 . . . . 10.0 109.998 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 143' ' ' ARG . . . . . 0.431 ' HG2' ' N ' ' A' ' 144' ' ' LEU . 2.6 ttp180 -67.95 135.57 52.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 10.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.431 ' N ' ' HG2' ' A' ' 143' ' ' ARG . 3.4 pp -153.09 171.89 17.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 10.0 109.302 -179.942 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 145' ' ' ALA . . . . . 1.024 ' O ' HG12 ' A' ' 118' ' ' VAL . . . 63.84 163.19 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 10.0 109.325 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 28.6 p -156.02 69.98 0.67 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 10.0 108.341 -179.995 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 147' ' ' GLY . . . . . 0.687 ' O ' ' HB1' ' A' ' 6' ' ' ALA . . . -83.27 55.71 5.04 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.556 1.16 . . . . 10.0 110.98 -179.973 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.677 HG22 ' HB ' ' A' ' 116' ' ' THR . 69.6 t -53.12 129.02 13.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 0.763 . . . . 10.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 149' ' ' ILE . . . . . 0.546 HD13 ' HB2' ' A' ' 6' ' ' ALA . 19.4 mm -83.58 107.52 15.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 10.0 109.261 -179.96 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -130.24 136.89 9.15 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.489 1.118 . . . . 10.0 111.028 179.99 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 151' ' ' ILE . . . . . 0.439 HD13 ' HA ' ' A' ' 151' ' ' ILE . 25.1 mm -51.86 146.02 2.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.552 0.795 . . . . 10.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 152' ' ' ALA . . . . . 0.423 ' HB3' HG23 ' A' ' 5' ' ' VAL . . . -139.28 173.33 11.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 10.0 109.289 -179.941 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.167 . . . . 10.0 110.281 -179.986 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.574 HG23 ' CD1' ' A' ' 151' ' ' ILE . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.421 -0.214 . . . . 10.0 110.421 . . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.9 tmmt? -102.34 106.12 16.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 10.0 109.288 179.994 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.962 ' HB3' ' HB2' ' A' ' 20' ' ' PHE . . . -84.18 175.23 9.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.123 . . . . 10.0 109.315 179.949 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.2 t -143.71 156.83 16.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 10.0 109.278 -180.0 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.845 ' HB3' HG13 ' A' ' 18' ' ' ILE . . . -153.02 93.7 1.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 10.0 109.336 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.752 HG23 HG12 ' A' ' 17' ' ' ILE . 8.2 p -82.39 91.92 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 10.0 109.297 -179.957 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.525 HD13 ' H ' ' A' ' 147' ' ' GLY . 2.2 mm? -39.57 126.45 1.86 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 10.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.29 -63.28 1.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 10.0 109.305 179.97 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 65.0 114.79 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.424 1.077 . . . . 10.0 111.013 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -50.07 -22.28 1.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 0.785 . . . . 10.0 109.332 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.498 ' N ' ' CD ' ' A' ' 13' ' ' PRO . . . 164.56 -50.99 0.29 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.48 1.113 . . . . 10.0 111.02 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.498 ' CD ' ' N ' ' A' ' 12' ' ' GLY . 18.3 Cg_endo -75.0 8.29 2.48 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.467 1.772 . . . . 10.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.2 t -138.14 151.3 25.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 10.0 109.311 -179.98 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.08 42.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 10.0 110.269 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.5 ' CA ' ' HA ' ' A' ' 35' ' ' ILE . . . -69.29 168.03 45.93 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.47 1.106 . . . . 10.0 111.043 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.752 HG12 HG23 ' A' ' 7' ' ' VAL . 57.6 mt -142.33 107.87 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.524 0.779 . . . . 10.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.845 HG13 ' HB3' ' A' ' 6' ' ' ALA . 0.7 OUTLIER -97.27 160.15 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 10.0 109.307 179.983 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.645 ' N ' HD12 ' A' ' 18' ' ' ILE . 0.2 OUTLIER -142.69 121.44 12.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 10.0 109.281 179.994 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.962 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 1.9 m-30 -95.82 102.41 14.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 10.0 110.99 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -108.14 119.58 39.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 10.0 110.292 -179.984 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -117.11 79.39 1.33 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 10.0 110.285 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.2 mttm -74.07 60.24 0.77 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 10.0 109.265 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.498 ' O ' ' CB ' ' A' ' 25' ' ' SER . 0.0 OUTLIER -154.86 -54.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 10.0 110.287 179.97 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 2.6 t 84.92 -9.87 0.84 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 10.0 109.994 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -157.33 25.95 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 10.0 109.333 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -133.64 -150.47 6.29 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.489 1.118 . . . . 10.0 110.987 -179.997 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.5 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 18.2 Cg_endo -75.03 170.49 20.3 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.481 1.78 . . . . 10.0 110.971 -179.964 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 27.7 t -115.75 119.19 61.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 10.0 109.333 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.9 mttm -74.37 93.44 2.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 10.0 109.316 179.977 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.761 HG22 ' CE1' ' A' ' 20' ' ' PHE . 40.8 t -84.65 133.31 29.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 10.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.472 ' CD1' ' N ' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -167.03 162.68 15.65 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.015 -1.106 . . . . 10.0 108.015 -179.992 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.472 ' N ' ' CD1' ' A' ' 32' ' ' TRP . . . 173.86 -164.61 36.09 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.523 1.139 . . . . 10.0 111.002 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -155.87 121.93 5.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 0.743 . . . . 10.0 110.066 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.942 HG21 HD13 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -83.54 165.14 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 10.0 109.323 -179.971 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.489 ' N ' HG23 ' A' ' 35' ' ' ILE . 36.5 mttt -152.02 118.5 5.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 10.0 109.265 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.466 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 124.95 -38.98 2.19 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.525 1.141 . . . . 10.0 111.019 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.942 HD13 HG21 ' A' ' 35' ' ' ILE . 0.2 OUTLIER -52.8 -169.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 0.77 . . . . 10.0 109.295 179.995 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 27.6 p -137.32 149.91 47.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 10.0 110.401 179.965 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.837 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 0.2 OUTLIER -51.33 112.25 0.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 10.0 110.275 179.999 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.446 ' O ' ' NE2' ' A' ' 43' ' ' HIS . . . 160.17 167.67 21.06 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.492 1.12 . . . . 10.0 111.044 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.3 mt -71.44 151.42 44.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.445 0.732 . . . . 10.0 109.326 -179.992 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.549 ' HE1' ' HB2' ' A' ' 89' ' ' ALA . 5.5 m80 -138.01 168.96 18.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 10.0 109.551 -179.938 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.481 ' CA ' ' HB2' ' A' ' 120' ' ' HIS . . . -83.43 -172.65 49.0 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.554 1.159 . . . . 10.0 111.023 179.958 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -78.51 173.66 12.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 0.778 . . . . 10.0 111.01 -179.999 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.484 ' CE1' ' CD1' ' A' ' 117' ' ' LEU . 0.0 OUTLIER -145.78 66.63 1.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 10.0 109.593 -179.999 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 43.0 t -123.65 113.51 37.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 10.0 109.266 -179.994 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.547 ' ND1' ' CG1' ' A' ' 118' ' ' VAL . 17.9 m80 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 10.0 109.627 179.955 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.482 ' O ' ' C ' ' A' ' 83' ' ' ASP . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 110.999 -0.84 . . . . 10.0 110.999 . . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.482 ' C ' ' O ' ' A' ' 82' ' ' GLY . 1.1 m-20 -34.51 127.9 0.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 0.793 . . . . 10.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.3 tt -173.39 -50.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 10.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 118.43 163.53 12.63 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.499 1.124 . . . . 10.0 111.018 -179.997 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -85.24 130.08 34.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 0.729 . . . . 10.0 109.266 -179.939 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 16.4 m -98.53 144.46 11.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 10.0 109.28 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 59.9 m -123.94 152.77 42.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.095 . . . . 10.0 110.434 179.989 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.837 ' HB3' ' HA ' ' A' ' 40' ' ' GLU . . . -84.92 163.03 19.22 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.546 1.154 . . . . 10.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.435 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 11.0 t0 -79.03 -96.14 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 10.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.435 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 2.6 pttt -136.2 9.32 3.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 10.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -153.81 24.83 0.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 10.0 109.318 -179.975 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.603 ' CA ' ' HB1' ' A' ' 89' ' ' ALA . . . 91.32 -35.39 3.95 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.524 1.14 . . . . 10.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.482 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 21.5 t -39.76 98.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.487 0.757 . . . . 10.0 109.276 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.463 ' HB3' ' HB ' ' A' ' 35' ' ' ILE . . . -104.18 115.29 30.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 10.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -107.84 143.63 36.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 10.0 109.323 -179.997 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.552 ' CG1' HD12 ' A' ' 99' ' ' ILE . 38.6 t -115.34 164.58 11.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 10.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.462 ' N ' HG12 ' A' ' 97' ' ' VAL . 31.2 t -173.07 86.34 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 10.0 109.994 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.552 HD12 ' CG1' ' A' ' 97' ' ' VAL . 3.7 mt -133.21 166.35 29.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 10.0 109.262 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.521 ' N ' HG22 ' A' ' 99' ' ' ILE . 35.9 tt0 -134.7 98.24 4.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 10.0 110.271 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.5 ' O ' ' CB ' ' A' ' 28' ' ' PRO . 1.1 t70 -92.28 142.64 27.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 10.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 45.2 p -119.5 -41.66 2.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 10.0 109.964 -179.994 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 40.5 t -48.38 -24.33 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 10.0 109.327 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.997 HD13 HD13 ' A' ' 112' ' ' ILE . 1.9 pp -114.66 156.89 15.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 10.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 10.7 t -148.88 160.44 43.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 10.0 109.996 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.563 HD22 HD11 ' A' ' 113' ' ' ILE . 3.0 mt -68.07 -24.19 65.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 10.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -136.88 175.07 9.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 10.0 110.017 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 101.47 -142.4 15.69 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.547 1.154 . . . . 10.0 110.98 179.992 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -94.0 30.49 1.85 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 0.794 . . . . 10.0 109.257 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 70.1 m80 -131.5 -61.37 0.91 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.138 . . . . 10.0 109.588 179.969 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 15.1 t 52.56 84.96 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 10.0 110.005 179.986 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.997 HD13 HD13 ' A' ' 104' ' ' ILE . 12.7 pt -92.47 -4.46 10.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 10.0 109.341 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.563 HD11 HD22 ' A' ' 106' ' ' LEU . 18.4 mm -62.13 101.97 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 10.0 109.255 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 127.31 39.09 0.39 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.495 1.122 . . . . 10.0 110.989 179.983 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.608 ' O ' HD23 ' A' ' 117' ' ' LEU . 5.5 mtp180 -84.61 101.89 12.49 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.526 0.78 . . . . 10.0 110.301 179.996 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.654 HG23 ' HB3' ' A' ' 146' ' ' CYS . 93.9 m -71.16 62.78 0.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 10.0 110.373 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.608 HD23 ' O ' ' A' ' 115' ' ' ARG . 0.7 OUTLIER -41.77 111.62 0.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.158 . . . . 10.0 109.311 179.962 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.547 ' CG1' ' ND1' ' A' ' 48' ' ' HIS . 2.8 p -128.24 105.03 12.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 10.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.636 HG11 HD11 ' A' ' 38' ' ' LEU . 20.8 t -56.54 147.71 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 10.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 120' ' ' HIS . . . . . 0.481 ' HB2' ' CA ' ' A' ' 44' ' ' GLY . 0.5 OUTLIER -85.01 140.59 30.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 10.0 109.546 -179.936 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.7 -49.9 67.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.099 . . . . 10.0 110.293 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -124.4 -163.65 1.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 10.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -107.24 152.08 24.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 10.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -75.72 -4.52 40.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 10.0 109.296 180.0 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 13.2 t0 55.4 31.14 16.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 10.0 109.256 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 9.1 mt 53.61 20.52 2.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 10.0 109.291 179.982 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 100.18 119.96 4.44 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.533 1.146 . . . . 10.0 111.043 -179.94 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.35 -24.23 15.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 0.781 . . . . 10.0 109.347 179.983 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 89.63 38.36 6.61 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 10.0 110.981 179.973 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -83.05 -146.21 6.37 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.063 -0.815 . . . . 10.0 111.063 179.966 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 65.4 m-80 -151.06 134.5 16.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 0.751 . . . . 10.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 51.19 22.62 1.37 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.561 1.163 . . . . 10.0 110.311 179.989 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -138.09 -72.12 0.42 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 10.0 110.281 -180.0 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 10.8 m -78.67 -26.14 44.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 10.0 110.004 -179.986 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 71.6 p -72.48 -6.28 42.65 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.478 1.111 . . . . 10.0 110.384 -179.982 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 16.8 mtmt -120.09 -43.62 2.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 10.0 109.301 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 41.7 p -127.64 -92.37 0.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 10.0 110.377 -179.999 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 177.37 39.84 0.06 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.506 1.129 . . . . 10.0 110.995 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 1.9 t30 44.84 34.94 1.31 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 0.771 . . . . 10.0 109.267 179.992 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -152.19 24.66 0.63 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 10.0 109.312 -179.979 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -83.51 94.75 1.82 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.472 1.108 . . . . 10.0 110.978 -179.979 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 142' ' ' SER . . . . . 0.428 ' O ' HD23 ' A' ' 144' ' ' LEU . 0.6 OUTLIER -150.15 93.1 1.96 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 0.749 . . . . 10.0 110.044 179.952 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 143' ' ' ARG . . . . . 0.401 ' O ' ' O ' ' A' ' 142' ' ' SER . 0.5 OUTLIER -44.82 169.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 10.0 110.248 -179.941 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.602 HD11 ' HB ' ' A' ' 119' ' ' VAL . 0.4 OUTLIER -168.51 -58.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 10.0 109.302 179.978 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 145' ' ' ALA . . . . . 0.409 ' N ' HD12 ' A' ' 144' ' ' LEU . . . -107.1 168.57 9.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 10.0 109.339 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 146' ' ' CYS . . . . . 0.654 ' HB3' HG23 ' A' ' 116' ' ' THR . 68.5 m -155.17 66.47 0.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 10.0 108.29 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 147' ' ' GLY . . . . . 0.525 ' H ' HD13 ' A' ' 8' ' ' LEU . . . -45.98 -51.81 10.58 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.49 1.119 . . . . 10.0 111.001 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.463 HG23 HG23 ' A' ' 116' ' ' THR . 2.8 t 66.09 136.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.55 0.794 . . . . 10.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 149' ' ' ILE . . . . . 0.472 ' CG1' ' HB2' ' A' ' 115' ' ' ARG . 5.0 mm -81.24 136.74 22.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 10.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -144.29 99.46 0.22 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.514 1.134 . . . . 10.0 111.003 179.97 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 151' ' ' ILE . . . . . 0.574 ' CD1' HG23 ' A' ' 2' ' ' THR . 17.2 mm -40.05 138.3 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.471 0.747 . . . . 10.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -126.57 175.25 8.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 10.0 109.312 179.978 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.145 . . . . 10.0 110.292 -179.986 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.293 -0.632 . . . . 10.0 109.293 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.0 p -85.14 108.64 17.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 10.0 110.365 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.1 tttp -111.56 88.32 2.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 10.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.945 ' HB3' ' HB2' ' A' ' 20' ' ' PHE . . . -84.85 164.68 18.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 10.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.6 HG23 ' HB3' ' A' ' 152' ' ' ALA . 2.1 t -144.39 155.53 15.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 10.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.576 ' HB3' HG23 ' A' ' 18' ' ' ILE . . . -155.47 93.45 1.49 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 10.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 58.4 t -81.6 99.58 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 10.0 109.278 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.586 HD12 ' CB ' ' A' ' 145' ' ' ALA . 3.6 mm? -46.24 145.34 1.69 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 10.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 17.7 tttt -178.29 136.1 0.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 10.0 109.286 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 11' ' ' ASP . . . 171.55 -95.08 0.1 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.532 1.145 . . . . 10.0 110.964 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 10' ' ' GLY . 53.0 t0 -38.44 -46.04 1.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 0.73 . . . . 10.0 109.266 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 143.95 -60.96 0.51 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.535 1.147 . . . . 10.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -39.05 1.32 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.475 1.776 . . . . 10.0 111.009 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 40.2 t -60.04 92.78 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 10.0 109.276 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -120.5 35.57 4.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 10.0 110.28 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.517 ' CA ' ' HB2' ' A' ' 8' ' ' LEU . . . -45.55 168.93 0.03 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.546 1.153 . . . . 10.0 111.021 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 57.7 mt -142.16 103.6 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.435 0.726 . . . . 10.0 109.323 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 1.069 HD12 ' N ' ' A' ' 19' ' ' ASN . 0.0 OUTLIER -115.41 128.66 72.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 10.0 109.266 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 1.069 ' N ' HD12 ' A' ' 18' ' ' ILE . 0.1 OUTLIER -123.79 145.89 48.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 10.0 109.31 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.945 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 5.3 m-85 -114.73 111.86 21.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 10.0 110.975 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -115.11 140.23 49.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 10.0 110.332 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.645 ' HG3' HG22 ' A' ' 29' ' ' VAL . 2.2 tt0 -142.21 62.35 1.43 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 10.0 110.314 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.3 mttt -75.08 59.83 0.98 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 10.0 109.287 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -154.5 139.17 16.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 10.0 110.307 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.3 m -87.32 -12.25 47.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 10.0 109.965 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -152.97 34.31 0.48 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 10.0 109.28 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -123.26 167.9 15.5 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.479 1.112 . . . . 10.0 111.018 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.406 ' HB3' ' N ' ' A' ' 102' ' ' SER . 18.2 Cg_endo -74.98 168.92 23.76 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.516 1.798 . . . . 10.0 111.023 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.645 HG22 ' HG3' ' A' ' 22' ' ' GLN . 37.5 t -89.98 113.56 26.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 10.0 109.268 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.405 ' O ' ' CE3' ' A' ' 32' ' ' TRP . 0.1 OUTLIER -68.85 97.58 0.85 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 10.0 109.291 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.463 HG22 ' CD2' ' A' ' 20' ' ' PHE . 54.4 t -94.94 124.69 47.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 10.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.418 ' HA ' ' O ' ' A' ' 97' ' ' VAL . 8.0 p90 -159.06 143.2 15.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 10.0 107.982 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.419 ' O ' ' HA ' ' A' ' 96' ' ' ASP . . . -157.23 -168.81 20.3 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.513 1.133 . . . . 10.0 110.982 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 74.0 m -157.0 122.83 4.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 0.772 . . . . 10.0 109.989 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.508 HG21 HD13 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -83.0 164.8 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 10.0 109.313 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.488 ' N ' HG23 ' A' ' 35' ' ' ILE . 16.9 mttt -155.8 105.74 2.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 10.0 109.308 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.455 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 144.04 -45.51 0.87 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.535 1.147 . . . . 10.0 110.966 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.625 HD22 ' CG ' ' A' ' 43' ' ' HIS . 0.6 OUTLIER -52.67 -170.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 0.799 . . . . 10.0 109.32 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.461 ' O ' ' N ' ' A' ' 41' ' ' GLY . 12.1 p -139.57 144.21 37.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 10.0 110.357 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.662 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 10.0 tt0 -40.42 95.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 10.0 110.277 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 39' ' ' THR . . . -177.48 -160.34 24.03 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.507 1.129 . . . . 10.0 111.018 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.461 HD12 ' C ' ' A' ' 41' ' ' GLY . 5.4 mp -104.79 136.4 44.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 0.769 . . . . 10.0 109.322 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.677 ' NE2' HG23 ' A' ' 87' ' ' VAL . 1.5 p80 -139.46 125.71 20.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 10.0 109.582 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.429 ' HA3' ' CG ' ' A' ' 120' ' ' HIS . . . -37.83 153.99 0.02 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.481 1.113 . . . . 10.0 110.987 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.477 ' CE2' HG12 ' A' ' 87' ' ' VAL . 0.2 OUTLIER -83.68 157.36 22.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 0.724 . . . . 10.0 110.985 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.649 ' CG ' HG23 ' A' ' 47' ' ' VAL . 0.1 OUTLIER -59.76 173.2 0.6 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 10.0 109.602 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.649 HG23 ' CG ' ' A' ' 46' ' ' HIS . 57.3 t 65.24 77.63 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 10.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.436 ' ND1' ' O ' ' A' ' 45' ' ' PHE . 55.2 m80 -157.42 101.14 1.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 10.0 109.593 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -134.4 111.63 10.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 10.0 110.284 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -60.05 -62.56 1.78 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 10.0 110.263 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.482 ' O ' ' CB ' ' A' ' 52' ' ' ASP . 14.1 pt-20 -146.41 176.08 10.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 10.0 110.282 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.482 ' CB ' ' O ' ' A' ' 51' ' ' GLU . 0.5 OUTLIER 156.88 130.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 10.0 109.334 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -136.63 12.31 3.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 10.0 109.289 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.531 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 8.8 t -110.66 -33.09 6.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.16 . . . . 10.0 110.375 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.531 ' HB3' ' O ' ' A' ' 54' ' ' THR . . . 72.91 116.56 0.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 10.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -112.65 -30.35 2.85 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.524 1.14 . . . . 10.0 111.022 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 8.7 m -118.31 -72.33 0.69 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.318 -0.993 . . . . 10.0 108.318 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 68.9 p -114.72 -149.93 0.45 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 10.0 110.411 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.6 t -178.48 111.92 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 10.0 109.969 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -159.63 -56.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.15 . . . . 10.0 109.299 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -176.35 99.64 0.13 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.492 1.12 . . . . 10.0 111.012 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 56.57 4.29 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.483 1.781 . . . . 10.0 110.996 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -154.65 36.95 0.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 10.0 109.562 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.41 ' CD1' ' N ' ' A' ' 64' ' ' PHE . 2.1 m-85 67.82 -149.91 0.16 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 10.0 110.989 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.678 ' CG ' HG21 ' A' ' 81' ' ' VAL . 3.6 m120 -131.23 149.29 73.26 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 10.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -0.53 10.09 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.494 1.787 . . . . 10.0 110.973 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -80.97 -39.76 25.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 10.0 109.288 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.885 ' HB3' HG12 ' A' ' 81' ' ' VAL . 88.2 p -93.07 -39.1 11.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 10.0 110.011 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.405 ' HB2' ' O ' ' A' ' 68' ' ' SER . 0.0 OUTLIER 70.51 -60.78 0.49 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 10.0 110.276 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 27.8 mttt -130.7 157.95 41.4 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.447 1.092 . . . . 10.0 109.324 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -40.19 -37.37 0.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 10.0 109.611 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 48.69 -177.18 0.02 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.462 1.101 . . . . 10.0 111.02 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 132.74 -84.98 0.29 Allowed Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.972 -0.851 . . . . 10.0 110.972 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -29.17 8.47 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.522 1.801 . . . . 10.0 110.988 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.39 -27.74 18.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 10.0 109.266 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 53.66 90.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 10.0 109.324 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -115.95 -16.7 11.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 10.0 110.297 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.495 ' O ' ' C ' ' A' ' 79' ' ' ARG . 0.9 OUTLIER 173.89 -68.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 10.0 110.316 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.495 ' C ' ' O ' ' A' ' 78' ' ' GLU . 0.0 OUTLIER 30.9 45.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 10.0 110.286 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -85.73 -13.33 48.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.135 . . . . 10.0 109.579 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.885 HG12 ' HB3' ' A' ' 68' ' ' SER . 0.6 OUTLIER -97.75 -157.79 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 10.0 109.301 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.765 ' N ' HG13 ' A' ' 81' ' ' VAL . . . -88.4 38.78 3.16 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.475 1.109 . . . . 10.0 111.005 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -123.74 89.06 3.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 0.791 . . . . 10.0 109.325 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -93.28 -73.09 0.57 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.105 . . . . 10.0 109.336 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -177.37 -87.62 0.07 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.476 1.11 . . . . 10.0 110.999 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -148.09 161.47 41.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 0.778 . . . . 10.0 109.325 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.677 HG23 ' NE2' ' A' ' 43' ' ' HIS . 5.1 m -117.58 -156.57 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 10.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.462 ' N ' HG23 ' A' ' 87' ' ' VAL . 0.7 OUTLIER -155.05 144.04 20.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.428 1.08 . . . . 10.0 110.392 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.662 ' HB3' ' HA ' ' A' ' 40' ' ' GLU . . . -85.37 175.11 9.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 10.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.431 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 9.1 t70 -82.96 -97.59 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 10.0 109.328 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.431 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 18.1 mtmt -136.25 9.61 3.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 10.0 109.362 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -153.41 23.2 0.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.165 . . . . 10.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.569 ' CA ' ' HB1' ' A' ' 89' ' ' ALA . . . 91.14 -34.29 4.35 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.428 1.08 . . . . 10.0 111.021 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.474 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 19.6 t -39.93 101.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.492 0.76 . . . . 10.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.495 ' HB3' ' HB ' ' A' ' 35' ' ' ILE . . . -104.49 116.4 32.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 10.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.419 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 1.3 t70 -105.09 150.26 25.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 10.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.418 ' O ' ' HA ' ' A' ' 32' ' ' TRP . 76.9 t -127.39 157.73 38.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 10.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 25.4 p -164.44 100.98 0.82 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 10.0 110.004 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.9 mt -144.11 165.52 13.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 10.0 109.307 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -133.5 107.31 7.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 10.0 110.292 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -103.55 128.1 50.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 10.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.406 ' N ' ' HB3' ' A' ' 28' ' ' PRO . 0.0 OUTLIER -111.89 -43.6 3.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 10.0 110.04 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 75.7 t -48.43 -42.14 11.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 10.0 109.345 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.788 ' C ' HD12 ' A' ' 104' ' ' ILE . 1.5 pp -77.8 174.92 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 10.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.42 140.43 15.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.421 1.076 . . . . 10.0 110.027 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.715 HD12 HD11 ' A' ' 113' ' ' ILE . 4.1 mm? -47.31 -45.73 24.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 10.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 12.3 p -143.61 153.18 42.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.429 1.081 . . . . 10.0 110.046 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 131.09 -130.72 6.16 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.486 1.116 . . . . 10.0 111.017 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.8 -42.65 49.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 0.774 . . . . 10.0 109.324 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 40.2 m80 -112.38 63.55 0.63 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 10.0 109.579 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 99.3 p -68.2 110.91 4.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 10.0 109.994 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.568 HD13 HD13 ' A' ' 104' ' ' ILE . 24.7 pt -88.39 -9.77 10.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 10.0 109.25 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.715 HD11 HD12 ' A' ' 106' ' ' LEU . 12.8 mm -64.14 100.38 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.502 1.126 . . . . 10.0 109.232 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 130.23 39.92 0.27 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.51 1.131 . . . . 10.0 110.988 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.432 ' O ' ' N ' ' A' ' 117' ' ' LEU . 14.8 mmm-85 -103.42 94.66 5.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 0.731 . . . . 10.0 110.317 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.814 HG23 ' SG ' ' A' ' 146' ' ' CYS . 57.9 m -58.72 85.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 10.0 110.414 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.541 HD22 HD21 ' A' ' 8' ' ' LEU . 0.7 OUTLIER -67.77 114.16 6.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 10.0 109.323 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.466 HG22 ' N ' ' A' ' 119' ' ' VAL . 2.0 p -135.78 164.59 32.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 10.0 109.304 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.466 ' N ' HG22 ' A' ' 118' ' ' VAL . 11.9 m -116.91 146.34 21.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 10.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.429 ' CG ' ' HA3' ' A' ' 44' ' ' GLY . 10.5 m170 -84.82 141.68 30.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 10.0 109.605 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.615 ' HB2' HD11 ' A' ' 144' ' ' LEU . 1.5 tt0 -94.51 67.89 3.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 10.0 110.35 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.694 ' HB2' ' HB1' ' A' ' 140' ' ' ALA . 0.1 OUTLIER 168.27 177.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 10.0 109.304 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -115.77 115.65 26.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 10.0 109.305 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -64.61 -12.2 43.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 10.0 109.303 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 55.55 32.81 19.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 10.0 109.266 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.8 mt 52.33 22.47 2.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 10.0 109.268 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 129.53 128.93 3.08 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.512 1.132 . . . . 10.0 110.992 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.34 -25.11 31.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 0.771 . . . . 10.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 115.61 -46.0 1.22 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.503 1.127 . . . . 10.0 111.008 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -68.18 -162.51 2.27 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 110.979 -0.848 . . . . 10.0 110.979 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ASN . . . . . 0.526 ' O ' ' CB ' ' A' ' 132' ' ' GLU . 14.8 p30 -143.63 147.9 35.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 0.747 . . . . 10.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.526 ' CB ' ' O ' ' A' ' 131' ' ' ASN . 7.0 tt0 88.47 31.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 10.0 110.311 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -159.82 -64.64 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 10.0 110.344 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 2.2 p -82.76 -12.49 57.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 10.0 110.029 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 61.9 p -79.82 -21.27 44.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 10.0 110.368 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.39 -40.24 4.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 10.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 47.0 p -124.04 -105.39 0.36 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 10.0 110.367 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -171.83 40.81 0.17 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.566 1.167 . . . . 10.0 110.966 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' ASN . . . . . 0.459 ' O ' ' HB2' ' A' ' 140' ' ' ALA . 25.9 t30 44.19 64.08 1.42 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 0.764 . . . . 10.0 109.315 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.694 ' HB1' ' HB2' ' A' ' 122' ' ' LYS . . . 177.75 -61.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.117 . . . . 10.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 141' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 140' ' ' ALA . . . 35.73 90.08 0.01 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.509 1.131 . . . . 10.0 111.028 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 142' ' ' SER . . . . . 0.459 ' CB ' ' HB3' ' A' ' 121' ' ' GLU . 0.6 OUTLIER -130.86 93.0 3.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 0.744 . . . . 10.0 110.012 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 143' ' ' ARG . . . . . 0.429 ' NH1' ' HB2' ' A' ' 143' ' ' ARG . 13.4 mtp-105 -71.83 138.51 48.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 10.0 110.307 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.615 HD11 ' HB2' ' A' ' 121' ' ' GLU . 9.6 mt -141.94 -70.44 0.35 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 10.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 145' ' ' ALA . . . . . 0.586 ' CB ' HD12 ' A' ' 8' ' ' LEU . . . -73.84 172.03 12.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 10.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 146' ' ' CYS . . . . . 0.814 ' SG ' HG23 ' A' ' 116' ' ' THR . 5.2 t -156.1 68.88 0.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.117 . . . . 10.0 108.286 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 147' ' ' GLY . . . . . 0.554 ' O ' ' HB1' ' A' ' 6' ' ' ALA . . . -80.05 68.18 3.31 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.482 1.114 . . . . 10.0 111.003 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.487 HG23 ' SG ' ' A' ' 146' ' ' CYS . 3.0 t -59.88 136.67 23.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.496 0.762 . . . . 10.0 109.319 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 149' ' ' ILE . . . . . 0.539 HG12 ' CD1' ' A' ' 20' ' ' PHE . 3.4 tp -88.46 113.06 24.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 10.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -131.86 148.22 18.97 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.461 1.101 . . . . 10.0 110.987 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 38.7 mm -59.84 144.01 13.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.479 0.753 . . . . 10.0 109.307 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 152' ' ' ALA . . . . . 0.6 ' HB3' HG23 ' A' ' 5' ' ' VAL . . . -146.19 169.18 19.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 10.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 10.0 110.259 -179.964 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.43 ' CB ' ' HG2' ' A' ' 23' ' ' LYS . . . . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.313 -0.625 . . . . 10.0 109.313 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.727 HG23 HD12 ' A' ' 151' ' ' ILE . 2.9 m -133.46 100.37 4.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 10.0 110.363 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 60.0 tttt -111.97 136.63 51.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.107 . . . . 10.0 109.293 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.996 ' HB3' ' HB2' ' A' ' 20' ' ' PHE . . . -111.93 158.0 20.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 10.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.637 HG23 ' HB3' ' A' ' 152' ' ' ALA . 2.0 t -138.01 151.3 25.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 10.0 109.318 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.718 ' HB1' ' O ' ' A' ' 147' ' ' GLY . . . -155.27 90.0 1.24 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.424 1.078 . . . . 10.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.457 ' O ' HG23 ' A' ' 7' ' ' VAL . 28.6 m -81.22 108.16 14.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 10.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.496 HD22 ' HA3' ' A' ' 147' ' ' GLY . 0.2 OUTLIER -52.12 138.96 24.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 10.0 109.346 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.9 tttt -173.0 117.26 0.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 10.0 109.269 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -171.32 -84.39 0.06 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.493 1.121 . . . . 10.0 111.034 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.522 ' HB3' HG12 ' A' ' 14' ' ' VAL . 18.1 t70 -40.39 -42.62 1.62 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 0.748 . . . . 10.0 109.342 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 135.95 -61.43 0.62 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.443 1.09 . . . . 10.0 111.052 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -51.04 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.553 1.817 . . . . 10.0 111.02 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.598 HG23 HD12 ' A' ' 38' ' ' LEU . 14.4 p -53.25 101.49 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 10.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.73 50.31 1.63 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 10.0 110.295 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.489 ' CA ' ' HA ' ' A' ' 35' ' ' ILE . . . -56.71 165.36 5.18 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.466 1.104 . . . . 10.0 110.968 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 30.7 mt -140.47 101.8 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 0.75 . . . . 10.0 109.29 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.798 HD13 ' C ' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -119.48 138.96 48.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 10.0 109.286 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.598 ' N ' HD13 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -128.43 169.05 14.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 10.0 109.335 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.996 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 1.8 m-85 -125.89 133.45 51.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 10.0 111.021 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -123.64 124.56 43.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 10.0 110.289 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.582 ' HG3' HG22 ' A' ' 29' ' ' VAL . 1.9 tt0 -155.15 81.04 1.06 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.108 . . . . 10.0 110.287 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.43 ' HG2' ' CB ' ' A' ' 1' ' ' ALA . 6.3 mtpt -85.53 48.82 1.65 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 10.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.417 ' HB3' ' N ' ' A' ' 27' ' ' GLY . 6.5 mm-40 -155.39 141.63 18.48 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.117 . . . . 10.0 110.279 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.81 -10.51 59.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 10.0 110.004 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 49.8 p30 -154.61 33.42 0.41 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 10.0 109.306 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.417 ' N ' ' HB3' ' A' ' 24' ' ' GLU . . . -111.43 -179.17 20.18 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.484 1.115 . . . . 10.0 111.027 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.462 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 18.2 Cg_endo -75.06 156.86 42.76 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.539 1.81 . . . . 10.0 110.989 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.669 ' O ' HG23 ' A' ' 31' ' ' VAL . 24.8 t -109.72 97.07 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 10.0 109.278 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 34.9 mttt -66.0 93.49 0.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 10.0 109.301 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 29' ' ' VAL . 13.0 t -92.62 138.17 20.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 10.0 109.286 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.421 ' HA ' ' O ' ' A' ' 97' ' ' VAL . 7.1 p90 -161.1 152.82 19.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 10.0 108.016 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.403 ' O ' ' HA ' ' A' ' 96' ' ' ASP . . . -169.3 -174.04 37.42 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.556 1.16 . . . . 10.0 110.996 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 25.6 p -157.53 124.97 5.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 0.756 . . . . 10.0 110.003 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.677 HG21 HD13 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -84.79 163.16 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 10.0 109.275 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.507 ' CG ' ' O ' ' A' ' 35' ' ' ILE . 26.4 mttm -157.13 106.59 2.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 10.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.406 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 141.19 -39.99 1.38 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.503 1.127 . . . . 10.0 110.941 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.702 HD11 HG11 ' A' ' 119' ' ' VAL . 0.3 OUTLIER -54.02 -170.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 0.759 . . . . 10.0 109.325 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.3 p -130.62 136.33 48.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 10.0 110.388 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.784 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -39.21 122.16 1.23 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 10.0 110.282 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.485 ' C ' HD13 ' A' ' 42' ' ' LEU . . . 155.1 -147.45 16.47 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.449 1.093 . . . . 10.0 111.002 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.485 HD13 ' C ' ' A' ' 41' ' ' GLY . 0.3 OUTLIER -102.81 150.7 23.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 0.782 . . . . 10.0 109.284 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.639 ' CG ' HD22 ' A' ' 38' ' ' LEU . 41.3 m-70 -151.28 115.95 5.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 10.0 109.594 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.538 ' CA ' ' HB2' ' A' ' 120' ' ' HIS . . . -71.28 78.23 0.56 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.53 1.144 . . . . 10.0 111.018 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.639 ' CZ ' ' CB ' ' A' ' 117' ' ' LEU . 1.0 OUTLIER -72.92 114.39 11.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.442 0.731 . . . . 10.0 110.981 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.411 ' NE2' ' CE1' ' A' ' 120' ' ' HIS . 13.0 p80 -175.93 176.14 1.85 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 10.0 109.594 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.506 HG22 ' O ' ' A' ' 116' ' ' THR . 9.5 t -77.91 160.19 4.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 10.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.603 ' CD2' ' O ' ' A' ' 142' ' ' SER . 0.0 OUTLIER -150.96 170.54 19.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 10.0 109.575 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.585 ' N ' ' CG ' ' A' ' 48' ' ' HIS . 0.1 OUTLIER 170.36 60.71 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.468 1.105 . . . . 10.0 110.282 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -105.73 138.74 41.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.165 . . . . 10.0 110.294 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.405 ' HG3' ' N ' ' A' ' 52' ' ' ASP . 9.3 pt-20 43.63 -153.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 10.0 110.284 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.405 ' N ' ' HG3' ' A' ' 51' ' ' GLU . 0.7 OUTLIER -160.25 114.16 2.18 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.47 1.106 . . . . 10.0 109.338 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 20.2 m-20 -179.38 60.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 10.0 109.312 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.609 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 0.9 OUTLIER -151.95 -51.58 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 10.0 110.429 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.609 ' HB2' ' O ' ' A' ' 54' ' ' THR . . . 169.5 -85.22 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 10.0 109.321 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 134.91 80.6 0.13 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.494 1.121 . . . . 10.0 111.02 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 22.1 p -105.3 20.61 18.58 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.272 -1.01 . . . . 10.0 108.272 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.438 ' O ' ' CB ' ' A' ' 59' ' ' SER . 43.4 p -116.82 -147.07 0.41 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 10.0 110.403 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.438 ' CB ' ' O ' ' A' ' 58' ' ' THR . 2.4 p 164.41 87.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 10.0 110.029 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -170.79 -66.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 10.0 109.299 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 164.49 145.39 4.38 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.477 1.11 . . . . 10.0 111.042 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 56.67 4.32 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.506 1.793 . . . . 10.0 111.03 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -154.4 41.09 0.47 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 10.0 109.573 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 45.72 -158.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 10.0 110.988 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.791 ' HB2' HG11 ' A' ' 81' ' ' VAL . 40.5 m-80 -88.44 157.24 50.3 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 10.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 66.63 6.01 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.511 1.795 . . . . 10.0 111.01 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -172.77 -40.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.1 . . . . 10.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.3 p -48.31 97.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.5 1.125 . . . . 10.0 109.963 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.403 ' O ' ' O ' ' A' ' 70' ' ' LYS . 3.9 mtp85 -84.01 18.97 1.88 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 10.0 110.276 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' A' ' 69' ' ' ARG . 32.7 mttp 56.8 163.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 10.0 109.324 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 25.1 m80 66.28 133.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 10.0 109.601 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 145.2 157.43 7.23 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.449 1.093 . . . . 10.0 110.996 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.409 ' HA3' ' HD3' ' A' ' 74' ' ' PRO . . . -173.31 -105.02 0.18 Allowed Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.975 -0.85 . . . . 10.0 110.975 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.409 ' HD3' ' HA3' ' A' ' 73' ' ' GLY . 18.3 Cg_endo -75.02 -64.07 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.445 1.76 . . . . 10.0 111.042 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.92 -29.65 67.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 10.0 109.299 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 54.14 92.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 10.0 109.354 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -114.25 -17.55 11.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 10.0 110.273 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -149.85 -173.82 4.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 10.0 110.296 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.6 HH11 ' N ' ' A' ' 83' ' ' ASP . 2.1 ttt-85 72.47 -75.66 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 10.0 110.313 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 66.74 -67.88 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 10.0 109.58 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.791 HG11 ' HB2' ' A' ' 65' ' ' ASN . 2.6 t -57.41 -72.1 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.12 . . . . 10.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.518 ' N ' HG12 ' A' ' 81' ' ' VAL . . . -57.41 -55.87 28.09 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.481 1.113 . . . . 10.0 111.042 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.6 ' N ' HH11 ' A' ' 79' ' ' ARG . 10.3 t0 -51.98 136.24 29.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 0.752 . . . . 10.0 109.27 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 14.3 tp -164.21 47.29 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 10.0 109.277 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 38.58 -157.48 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.496 1.123 . . . . 10.0 110.975 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.488 ' HB2' HD23 ' A' ' 126' ' ' LEU . 3.8 m-20 -127.65 175.71 8.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 0.745 . . . . 10.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 23.6 m -130.33 -164.54 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 10.0 109.331 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.438 ' HA ' ' O ' ' A' ' 41' ' ' GLY . 23.3 m -151.05 138.3 19.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 10.0 110.404 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.784 ' HB3' ' HA ' ' A' ' 40' ' ' GLU . . . -84.99 175.08 9.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 10.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.448 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 15.4 t0 -86.95 -98.63 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 10.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.448 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 19.9 pttt -136.9 9.75 3.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 10.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -146.59 18.58 1.32 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 10.0 109.269 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.452 ' CA ' ' HB1' ' A' ' 89' ' ' ALA . . . 90.04 -24.62 14.94 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.493 1.121 . . . . 10.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.524 HG13 ' O ' ' A' ' 35' ' ' ILE . 15.1 t -48.03 110.39 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.543 0.79 . . . . 10.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -118.15 121.39 40.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 10.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.403 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 3.8 p-10 -112.28 152.64 28.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 10.0 109.305 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.421 ' O ' ' HA ' ' A' ' 32' ' ' TRP . 55.7 t -134.37 159.76 41.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 10.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 93.2 p -164.48 99.42 0.81 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 10.0 109.968 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 4.3 mt -125.75 146.36 31.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 10.0 109.302 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -131.22 90.34 2.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 10.0 110.285 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.462 ' O ' ' CB ' ' A' ' 28' ' ' PRO . 0.4 OUTLIER -113.03 162.37 15.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 10.0 109.268 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 26.8 p -134.06 31.18 3.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 10.0 110.04 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -105.84 -42.12 6.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 10.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.424 ' HA ' ' CG ' ' A' ' 110' ' ' HIS . 0.0 OUTLIER -70.34 177.31 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 10.0 109.303 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.606 ' O ' HG23 ' A' ' 112' ' ' ILE . 3.2 m -150.97 146.99 26.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 10.0 109.962 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.543 HD22 HD11 ' A' ' 113' ' ' ILE . 12.7 mt -62.74 -53.8 48.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 10.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 5.5 t -144.99 68.67 1.24 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 10.0 110.002 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -141.58 -144.28 4.37 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.448 1.092 . . . . 10.0 111.012 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -55.82 -32.13 63.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 0.768 . . . . 10.0 109.292 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.424 ' CG ' ' HA ' ' A' ' 104' ' ' ILE . 10.9 m80 -94.37 -55.8 3.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 10.0 109.607 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 4.5 t 53.39 99.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 10.0 109.97 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.775 HD13 ' CE2' ' A' ' 20' ' ' PHE . 1.3 pp -89.96 -26.16 5.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 10.0 109.328 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.543 HD11 HD22 ' A' ' 106' ' ' LEU . 18.0 mm -50.25 122.57 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 10.0 109.351 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 107.17 8.02 31.95 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.557 1.16 . . . . 10.0 110.976 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.939 ' O ' HD12 ' A' ' 149' ' ' ILE . 18.4 mtt180 -98.13 148.8 23.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 0.801 . . . . 10.0 110.284 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.543 HG23 ' CG2' ' A' ' 118' ' ' VAL . 8.1 t -142.22 134.72 28.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 10.0 110.392 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.639 ' CB ' ' CZ ' ' A' ' 45' ' ' PHE . 0.3 OUTLIER -90.73 76.55 6.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 10.0 109.332 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 1.02 HG13 ' O ' ' A' ' 145' ' ' ALA . 2.7 t -72.3 99.61 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 10.0 109.279 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.702 HG11 HD11 ' A' ' 38' ' ' LEU . 21.1 m -41.61 146.66 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 10.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.541 ' CD2' ' HB3' ' A' ' 140' ' ' ALA . 0.0 OUTLIER -84.52 115.68 22.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 10.0 109.588 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.591 ' HA ' HD11 ' A' ' 144' ' ' LEU . 3.5 tm-20 -38.57 -28.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 10.0 110.342 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 120' ' ' HIS . 1.6 ttmt -151.78 155.53 38.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 10.0 109.301 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -50.26 176.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 10.0 109.278 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.408 ' CG ' ' O ' ' A' ' 127' ' ' GLY . 57.0 t0 -138.61 44.9 2.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 10.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 47.11 27.79 0.84 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 10.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.488 HD23 ' HB2' ' A' ' 86' ' ' ASN . 25.6 mt 54.86 19.6 2.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 10.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' GLY . . . . . 0.408 ' O ' ' CG ' ' A' ' 124' ' ' ASP . . . -175.28 -109.07 0.23 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.506 1.129 . . . . 10.0 111.02 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 44.8 mtmt -123.11 -77.2 0.59 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 0.754 . . . . 10.0 109.264 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 86.13 -38.41 3.07 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.485 1.116 . . . . 10.0 111.011 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -106.32 -155.24 21.05 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.008 -0.837 . . . . 10.0 111.008 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -149.32 143.96 26.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 0.749 . . . . 10.0 109.266 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 51.97 28.14 4.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 10.0 110.292 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -153.29 -78.81 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 10.0 110.328 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 134' ' ' SER . . . . . 0.47 ' HA ' ' CA ' ' A' ' 138' ' ' GLY . 39.8 m -62.65 -22.61 66.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 10.0 110.008 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 23.5 p -68.24 -34.8 76.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 10.0 110.389 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.46 ' O ' ' NH2' ' A' ' 79' ' ' ARG . 16.7 pttt -96.58 -24.44 16.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 10.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 137' ' ' THR . . . . . 0.428 ' OG1' ' N ' ' A' ' 138' ' ' GLY . 81.1 p -136.36 -100.84 0.21 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 10.0 110.416 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 138' ' ' GLY . . . . . 0.47 ' CA ' ' HA ' ' A' ' 134' ' ' SER . . . 174.24 36.93 0.04 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.54 1.15 . . . . 10.0 110.96 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 139' ' ' ASN . . . . . 0.422 ' C ' ' O ' ' A' ' 138' ' ' GLY . 51.4 t30 37.41 32.89 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 0.764 . . . . 10.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.541 ' HB3' ' CD2' ' A' ' 120' ' ' HIS . . . -115.26 -63.15 1.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 10.0 109.334 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 116.71 68.91 0.41 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.474 1.108 . . . . 10.0 111.001 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' SER . . . . . 0.603 ' O ' ' CD2' ' A' ' 48' ' ' HIS . 68.8 p -58.07 101.38 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 0.756 . . . . 10.0 110.017 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 143' ' ' ARG . . . . . 0.686 ' C ' HD12 ' A' ' 144' ' ' LEU . 6.4 mtt85 -165.19 93.71 0.61 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 10.0 110.271 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.686 HD12 ' C ' ' A' ' 143' ' ' ARG . 5.6 mp -152.94 -103.18 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 10.0 109.27 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 145' ' ' ALA . . . . . 1.02 ' O ' HG13 ' A' ' 118' ' ' VAL . . . -77.14 175.56 9.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 10.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -153.48 68.44 0.79 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 10.0 108.309 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 147' ' ' GLY . . . . . 0.718 ' O ' ' HB1' ' A' ' 6' ' ' ALA . . . -68.27 60.83 0.41 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.498 1.124 . . . . 10.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.448 ' CG2' ' HB ' ' A' ' 116' ' ' THR . 2.9 t -57.41 104.6 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.52 0.776 . . . . 10.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 149' ' ' ILE . . . . . 0.939 HD12 ' O ' ' A' ' 115' ' ' ARG . 4.2 mp -56.31 122.47 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 10.0 109.267 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -142.72 137.5 7.78 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.514 1.133 . . . . 10.0 110.968 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 151' ' ' ILE . . . . . 0.727 HD12 HG23 ' A' ' 2' ' ' THR . 27.4 mm -52.6 146.87 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.463 0.743 . . . . 10.0 109.312 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 152' ' ' ALA . . . . . 0.637 ' HB3' HG23 ' A' ' 5' ' ' VAL . . . -150.22 174.81 12.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 10.0 109.279 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 10.0 110.322 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.412 ' N ' ' HA ' ' A' ' 23' ' ' LYS . . . . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.29 -0.633 . . . . 10.0 109.29 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.788 ' HB ' HD22 ' A' ' 106' ' ' LEU . 54.0 m -149.94 166.28 30.1 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.107 . . . . 10.0 110.371 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.415 ' N ' HG22 ' A' ' 2' ' ' THR . 0.5 OUTLIER -115.3 99.24 7.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 10.0 109.304 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.96 ' HB3' ' HB2' ' A' ' 20' ' ' PHE . . . -84.82 169.32 14.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 10.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.425 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -148.08 145.34 18.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 10.0 109.358 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.888 ' HB3' ' CG1' ' A' ' 18' ' ' ILE . . . -138.3 104.72 5.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 10.0 109.306 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 70.2 t -84.3 88.14 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 10.0 109.266 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.586 HD22 ' HA3' ' A' ' 147' ' ' GLY . 2.2 mm? -40.7 146.93 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 10.0 109.273 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.44 129.06 0.2 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 10.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.434 ' O ' ' C ' ' A' ' 11' ' ' ASP . . . -178.62 -91.92 0.08 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.485 1.115 . . . . 10.0 111.034 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 10' ' ' GLY . 33.9 t0 -38.11 -36.16 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 0.762 . . . . 10.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 137.04 -64.55 0.57 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.515 1.135 . . . . 10.0 110.983 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.469 ' O ' ' N ' ' A' ' 15' ' ' GLN . 18.3 Cg_endo -75.0 -37.08 2.18 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.5 1.789 . . . . 10.0 110.965 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.733 HG12 ' O ' ' A' ' 14' ' ' VAL . 1.9 t -54.9 88.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 10.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 13' ' ' PRO . 0.2 OUTLIER -113.5 35.28 4.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 10.0 110.32 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.53 ' CA ' ' HB2' ' A' ' 8' ' ' LEU . . . -47.29 163.17 0.22 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.46 1.1 . . . . 10.0 110.994 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.405 HG13 ' C ' ' A' ' 16' ' ' GLY . 64.4 mt -142.5 105.98 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.538 0.787 . . . . 10.0 109.25 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.888 ' CG1' ' HB3' ' A' ' 6' ' ' ALA . 0.6 OUTLIER -99.3 159.45 3.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 10.0 109.283 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.584 ' N ' HD12 ' A' ' 18' ' ' ILE . 0.1 OUTLIER -144.05 116.76 8.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 10.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.96 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 1.9 m-30 -95.07 96.45 9.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 10.0 111.014 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -107.61 122.99 47.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 10.0 110.299 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.652 ' HB2' HG13 ' A' ' 29' ' ' VAL . 9.0 tt0 -135.39 59.26 1.73 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 10.0 110.276 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.412 ' HA ' ' N ' ' A' ' 1' ' ' ALA . 8.7 mttt -73.0 63.07 0.64 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 10.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.461 ' O ' ' CB ' ' A' ' 25' ' ' SER . 31.2 mm-40 -132.69 -52.49 0.93 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 10.0 110.339 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.461 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 0.2 OUTLIER 83.39 -10.03 1.01 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 10.0 110.028 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -157.35 26.0 0.3 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 10.0 109.325 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -133.93 -174.43 13.52 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.506 1.129 . . . . 10.0 110.972 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.458 ' HA ' ' O ' ' A' ' 101' ' ' ASP . 18.2 Cg_endo -75.03 157.4 42.67 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.535 1.808 . . . . 10.0 110.979 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.652 HG13 ' HB2' ' A' ' 22' ' ' GLN . 24.3 t -88.51 120.64 37.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 10.0 109.343 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.0 tttt -69.79 91.22 0.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 10.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.579 HG13 ' CE1' ' A' ' 20' ' ' PHE . 92.6 t -88.58 119.23 35.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 10.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -159.67 160.42 34.16 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.03 -1.1 . . . . 10.0 108.03 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.421 ' O ' ' HA ' ' A' ' 96' ' ' ASP . . . 179.43 -162.84 29.86 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.488 1.117 . . . . 10.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.9 p -156.58 124.17 5.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 0.785 . . . . 10.0 110.043 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.497 HG23 ' N ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -84.26 166.06 2.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.111 . . . . 10.0 109.293 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.497 ' N ' HG23 ' A' ' 35' ' ' ILE . 12.0 mttt -152.05 96.36 2.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 10.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.448 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 148.77 -34.14 1.14 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.456 1.098 . . . . 10.0 111.015 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.679 HD12 ' CG ' ' A' ' 43' ' ' HIS . 0.2 OUTLIER -53.04 -170.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 0.742 . . . . 10.0 109.319 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.416 ' O ' ' N ' ' A' ' 41' ' ' GLY . 20.4 p -137.43 142.82 41.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 10.0 110.425 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.452 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 8.0 tm-20 -39.04 98.22 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.142 . . . . 10.0 110.348 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 39' ' ' THR . . . 161.76 176.59 34.01 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.484 1.115 . . . . 10.0 110.972 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.401 ' HA ' ' O ' ' A' ' 87' ' ' VAL . 1.0 OUTLIER -74.72 146.45 42.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 0.775 . . . . 10.0 109.322 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.679 ' CG ' HD12 ' A' ' 38' ' ' LEU . 7.5 p80 -153.25 151.14 29.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.401 1.063 . . . . 10.0 109.61 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -82.25 159.45 39.16 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.528 1.142 . . . . 10.0 111.021 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.58 ' CZ ' ' HB3' ' A' ' 117' ' ' LEU . 58.3 t80 -169.03 97.45 0.36 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.428 0.722 . . . . 10.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.469 ' CD2' ' HB3' ' A' ' 48' ' ' HIS . 3.4 p-80 -167.42 175.56 7.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 10.0 109.566 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.838 HG12 ' CG ' ' A' ' 64' ' ' PHE . 3.5 t -95.11 109.58 22.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 10.0 109.299 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.469 ' HB3' ' CD2' ' A' ' 46' ' ' HIS . 0.0 OUTLIER -151.94 105.22 3.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 10.0 109.575 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -149.22 109.34 4.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 10.0 110.258 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.409 ' O ' ' O ' ' A' ' 62' ' ' PRO . 0.1 OUTLIER -55.91 -87.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 10.0 110.267 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -113.8 -82.87 0.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 10.0 110.287 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 59.34 79.85 0.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 10.0 109.289 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -111.38 62.77 0.61 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 10.0 109.247 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.67 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 2.6 t -144.22 -45.58 0.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 10.0 110.393 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.67 ' HB2' ' O ' ' A' ' 54' ' ' THR . . . 165.6 118.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 10.0 109.346 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.403 ' C ' ' SG ' ' A' ' 57' ' ' CYS . . . -155.69 56.9 0.4 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.516 1.135 . . . . 10.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.403 ' SG ' ' C ' ' A' ' 56' ' ' GLY . 0.8 OUTLIER 74.17 -65.65 0.34 Allowed 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.304 -0.998 . . . . 10.0 108.304 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 34.8 p -144.7 -147.15 0.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 10.0 110.42 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -145.67 -67.96 0.29 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.12 . . . . 10.0 110.001 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . 63.26 -80.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 10.0 109.31 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 59' ' ' SER . . . -153.81 111.12 0.48 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.544 1.153 . . . . 10.0 111.011 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.409 ' O ' ' O ' ' A' ' 50' ' ' GLU . 18.3 Cg_endo -74.95 69.35 5.53 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.525 1.803 . . . . 10.0 111.041 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.413 ' O ' ' OD1' ' A' ' 65' ' ' ASN . 0.6 OUTLIER -155.4 -63.88 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 10.0 109.618 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.838 ' CG ' HG12 ' A' ' 47' ' ' VAL . 22.6 m-85 40.06 56.05 2.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 10.0 110.972 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.645 ' OD1' HG23 ' A' ' 81' ' ' VAL . 75.1 m-20 -131.18 67.87 81.05 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 10.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.463 ' O ' ' CB ' ' A' ' 67' ' ' LEU . 18.4 Cg_endo -74.99 86.54 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.463 1.77 . . . . 10.0 111.029 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.49 ' CD2' ' HD2' ' A' ' 69' ' ' ARG . 0.2 OUTLIER 85.14 -47.75 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 10.0 109.25 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.46 ' O ' ' CB ' ' A' ' 69' ' ' ARG . 37.9 m 58.21 -102.87 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 10.0 109.978 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.49 ' HD2' ' CD2' ' A' ' 67' ' ' LEU . 0.0 OUTLIER 82.19 -43.61 0.15 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 10.0 110.308 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.401 ' HB3' ' O ' ' A' ' 69' ' ' ARG . 5.9 ttpp 67.97 146.65 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 10.0 109.286 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.538 ' CG ' ' O ' ' A' ' 71' ' ' HIS . 0.1 OUTLIER 58.45 90.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 10.0 109.622 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -108.35 -78.68 1.1 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.532 1.145 . . . . 10.0 111.015 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -163.16 -117.51 0.42 Allowed Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.999 -0.84 . . . . 10.0 110.999 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -68.74 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.509 1.794 . . . . 10.0 111.014 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 11.6 mtpt -102.34 -46.66 4.73 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.118 . . . . 10.0 109.321 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.439 ' N ' ' OD1' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -177.69 94.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 10.0 109.27 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -85.43 -14.88 44.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 10.0 110.3 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -121.81 -83.08 0.66 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 10.0 110.289 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.44 ' O ' ' C ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER 170.6 39.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.108 . . . . 10.0 110.273 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.458 ' O ' ' C ' ' A' ' 81' ' ' VAL . 20.7 p80 -37.08 134.88 0.51 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 10.0 109.576 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.645 HG23 ' OD1' ' A' ' 65' ' ' ASN . 7.2 p -36.18 98.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 10.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 80' ' ' HIS . . . 131.97 -24.32 4.05 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.571 1.169 . . . . 10.0 110.958 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.799 ' O ' HD12 ' A' ' 84' ' ' LEU . 9.1 p-10 36.59 82.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 0.784 . . . . 10.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.799 HD12 ' O ' ' A' ' 83' ' ' ASP . 0.0 OUTLIER 172.18 114.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 10.0 109.312 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -54.4 -167.16 0.03 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.493 1.121 . . . . 10.0 110.982 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 64.6 m-20 -94.02 163.32 13.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 0.774 . . . . 10.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.429 HG12 ' H ' ' A' ' 88' ' ' THR . 2.5 t -127.63 167.93 21.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 10.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.429 ' H ' HG12 ' A' ' 87' ' ' VAL . 92.7 m -139.96 150.67 44.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 10.0 110.408 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.581 ' HB1' ' CA ' ' A' ' 93' ' ' GLY . . . -87.6 164.43 16.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 10.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.437 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 5.6 t70 -79.65 -94.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 10.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.513 ' CG ' ' O ' ' A' ' 91' ' ' LYS . 11.9 tttt -139.47 12.99 2.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 10.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -152.84 22.9 0.58 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.085 . . . . 10.0 109.269 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.581 ' CA ' ' HB1' ' A' ' 89' ' ' ALA . . . 93.1 -35.57 4.05 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.48 1.112 . . . . 10.0 111.033 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.452 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 55.6 t -41.55 108.74 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 0.766 . . . . 10.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -114.53 118.36 33.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.116 . . . . 10.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.421 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 4.1 p-10 -102.06 146.21 28.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.138 . . . . 10.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.429 HG12 ' N ' ' A' ' 98' ' ' SER . 30.6 t -114.5 163.58 11.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 10.0 109.345 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.429 ' N ' HG12 ' A' ' 97' ' ' VAL . 90.6 p -168.34 96.06 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 10.0 110.02 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.8 mt -143.56 159.25 16.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.497 1.123 . . . . 10.0 109.304 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -122.0 105.18 10.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.136 . . . . 10.0 110.259 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.458 ' O ' ' HA ' ' A' ' 28' ' ' PRO . 1.5 m-20 -84.35 109.46 17.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.453 1.095 . . . . 10.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 62.9 p -92.82 -7.08 47.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 10.0 109.95 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 77.1 t -86.48 -84.03 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 10.0 109.311 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.747 ' C ' HD12 ' A' ' 104' ' ' ILE . 1.7 pp -57.58 173.91 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 10.0 109.269 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 20.2 p 179.98 179.86 0.51 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.559 1.162 . . . . 10.0 110.004 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.788 HD22 ' HB ' ' A' ' 2' ' ' THR . 0.9 OUTLIER -99.01 48.76 0.96 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 10.0 109.274 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.465 ' O ' ' N ' ' A' ' 109' ' ' ASP . 0.3 OUTLIER -105.68 60.97 0.66 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 10.0 109.992 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.473 ' O ' ' CB ' ' A' ' 111' ' ' SER . . . 52.52 -87.52 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.511 1.132 . . . . 10.0 111.0 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 107' ' ' SER . 0.3 OUTLIER -55.43 -34.63 64.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 0.745 . . . . 10.0 109.333 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.464 ' O ' ' C ' ' A' ' 111' ' ' SER . 12.4 m80 -84.53 -16.76 41.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 10.0 109.572 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.473 ' CB ' ' O ' ' A' ' 108' ' ' GLY . 76.3 p -33.52 116.96 0.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 10.0 110.008 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.686 HG21 HD13 ' A' ' 104' ' ' ILE . 0.1 OUTLIER -85.97 -12.81 11.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 10.0 109.304 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.524 HD13 HG22 ' A' ' 149' ' ' ILE . 34.8 mm -40.07 113.77 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 10.0 109.327 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 116.63 20.66 4.94 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.556 1.16 . . . . 10.0 111.019 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.814 ' HB3' HD13 ' A' ' 149' ' ' ILE . 0.0 OUTLIER -84.72 106.95 16.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 0.78 . . . . 10.0 110.261 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.645 ' C ' HG22 ' A' ' 47' ' ' VAL . 5.4 m -89.98 83.0 6.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 10.0 110.419 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.58 ' HB3' ' CZ ' ' A' ' 45' ' ' PHE . 2.7 mm? -71.09 76.6 0.68 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 10.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.551 HG13 ' O ' ' A' ' 145' ' ' ALA . 2.7 t -66.97 139.47 21.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 10.0 109.271 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.548 HG12 ' HD1' ' A' ' 45' ' ' PHE . 1.9 m -99.64 133.17 43.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 10.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.416 ' ND1' ' HA2' ' A' ' 141' ' ' GLY . 10.6 m-70 -91.3 140.71 29.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 10.0 109.613 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -46.87 -25.99 0.88 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 10.0 110.278 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 3.1 tttp -145.29 -171.89 3.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 10.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.466 ' HB2' ' N ' ' A' ' 43' ' ' HIS . . . -111.82 -166.07 1.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 10.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.415 ' C ' ' N ' ' A' ' 126' ' ' LEU . 4.9 t70 -101.16 5.1 42.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 10.0 109.262 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 48.12 24.06 0.6 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 10.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.415 ' N ' ' C ' ' A' ' 124' ' ' ASP . 7.5 mt 59.89 15.8 5.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.117 . . . . 10.0 109.295 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 172.32 -46.75 0.17 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.483 1.115 . . . . 10.0 111.03 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 129' ' ' GLY . 0.0 OUTLIER 49.48 23.64 0.94 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 0.799 . . . . 10.0 109.278 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.426 ' C ' ' O ' ' A' ' 128' ' ' LYS . . . 35.73 45.32 0.76 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.492 1.12 . . . . 10.0 110.972 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' GLY . . . . . 0.497 ' O ' HG23 ' A' ' 135' ' ' THR . . . -133.89 160.63 24.14 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.047 -0.821 . . . . 10.0 111.047 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -138.55 134.09 33.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 0.777 . . . . 10.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 73.05 7.66 5.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.567 1.167 . . . . 10.0 110.292 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -132.7 -66.66 0.67 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 10.0 110.285 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' SER . . . . . 0.442 ' HA ' ' CA ' ' A' ' 138' ' ' GLY . 95.0 p -83.98 -23.57 30.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 10.0 110.007 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 135' ' ' THR . . . . . 0.497 HG23 ' O ' ' A' ' 130' ' ' GLY . 1.2 p -66.65 -16.4 64.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 10.0 110.391 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.502 ' HG3' HG23 ' A' ' 137' ' ' THR . 3.0 pttt -109.06 -46.08 3.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 10.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 137' ' ' THR . . . . . 0.502 HG23 ' HG3' ' A' ' 136' ' ' LYS . 19.5 p -117.88 -82.05 0.63 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 10.0 110.408 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 138' ' ' GLY . . . . . 0.442 ' CA ' ' HA ' ' A' ' 134' ' ' SER . . . 160.85 42.68 0.02 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.498 1.124 . . . . 10.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 39.45 33.07 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 0.766 . . . . 10.0 109.334 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.4 ' N ' ' C ' ' A' ' 138' ' ' GLY . . . -154.49 24.89 0.46 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 10.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 141' ' ' GLY . . . . . 0.416 ' HA2' ' ND1' ' A' ' 120' ' ' HIS . . . -80.52 81.34 1.58 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.498 1.124 . . . . 10.0 111.027 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 142' ' ' SER . . . . . 0.409 ' O ' ' O ' ' A' ' 143' ' ' ARG . 4.9 t -111.3 -14.82 13.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 0.786 . . . . 10.0 109.964 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 143' ' ' ARG . . . . . 0.409 ' HB3' HG11 ' A' ' 118' ' ' VAL . 6.5 mtm180 60.69 132.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 10.0 110.288 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.639 ' O ' ' HB2' ' A' ' 145' ' ' ALA . 0.4 OUTLIER -170.08 58.44 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 10.0 109.329 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 145' ' ' ALA . . . . . 0.639 ' HB2' ' O ' ' A' ' 144' ' ' LEU . . . 166.57 149.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 10.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 146' ' ' CYS . . . . . 0.534 ' HB3' HG23 ' A' ' 116' ' ' THR . 9.0 m -155.01 60.51 0.65 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.095 . . . . 10.0 108.304 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 147' ' ' GLY . . . . . 0.586 ' HA3' HD22 ' A' ' 8' ' ' LEU . . . -43.89 -51.14 7.18 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.483 1.115 . . . . 10.0 111.0 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 2.3 t 65.56 123.88 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.487 0.757 . . . . 10.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 149' ' ' ILE . . . . . 0.943 HG23 ' HB1' ' A' ' 4' ' ' ALA . 1.8 mp -79.01 129.46 37.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 10.0 109.256 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -132.83 152.44 20.31 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.512 1.132 . . . . 10.0 110.941 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 151' ' ' ILE . . . . . 0.574 HD12 HG21 ' A' ' 2' ' ' THR . 45.3 mm -69.45 133.21 32.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.541 0.789 . . . . 10.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -90.88 174.62 7.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.109 . . . . 10.0 109.315 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 3.7 pp0? . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 10.0 110.243 -179.972 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 22' ' ' GLN . . . . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.329 -0.619 . . . . 10.0 109.329 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.736 HG21 HD12 ' A' ' 151' ' ' ILE . 94.4 m -101.73 112.54 25.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 10.0 110.356 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.749 ' O ' ' HB3' ' A' ' 152' ' ' ALA . 4.6 tttt -87.61 110.35 20.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 10.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.866 ' HB3' ' HB2' ' A' ' 20' ' ' PHE . . . -93.09 167.61 11.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 10.0 109.345 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.639 HG22 ' HB2' ' A' ' 152' ' ' ALA . 0.0 OUTLIER -144.59 141.43 23.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 10.0 109.3 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.955 ' HB3' ' CG1' ' A' ' 18' ' ' ILE . . . -134.56 105.76 6.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 10.0 109.286 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.55 ' O ' HG13 ' A' ' 7' ' ' VAL . 9.3 p -83.59 96.96 4.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 10.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.497 HD13 ' O ' ' A' ' 117' ' ' LEU . 0.3 OUTLIER -43.21 145.24 0.56 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.113 . . . . 10.0 109.238 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 29.2 tttt -166.31 117.51 1.0 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.084 . . . . 10.0 109.346 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 11' ' ' ASP . . . -154.1 -107.55 0.3 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.492 1.12 . . . . 10.0 110.95 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.426 ' OD1' ' C ' ' A' ' 11' ' ' ASP . 3.8 t0 -38.87 -59.19 0.99 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 0.747 . . . . 10.0 109.332 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.483 ' N ' ' CD ' ' A' ' 13' ' ' PRO . . . 165.53 -52.3 0.27 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.45 1.093 . . . . 10.0 111.05 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.483 ' CD ' ' N ' ' A' ' 12' ' ' GLY . 18.4 Cg_endo -74.99 -26.43 10.94 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.498 1.789 . . . . 10.0 111.022 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.634 HG11 ' HB2' ' A' ' 145' ' ' ALA . 34.8 t -66.4 89.07 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 10.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -116.82 31.21 6.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 10.0 110.322 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.482 ' N ' ' HB2' ' A' ' 8' ' ' LEU . . . -46.66 162.54 0.18 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.448 1.092 . . . . 10.0 110.97 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 36.5 mt -140.64 102.87 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 0.769 . . . . 10.0 109.321 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.955 ' CG1' ' HB3' ' A' ' 6' ' ' ALA . 0.8 OUTLIER -96.5 162.02 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 10.0 109.278 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.507 ' N ' HD12 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -142.01 119.46 11.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 10.0 109.288 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.866 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 1.6 m-85 -95.0 108.52 20.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 10.0 111.037 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.09 121.36 44.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.1 . . . . 10.0 110.332 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.428 ' O ' ' N ' ' A' ' 1' ' ' ALA . 32.9 tt0 -123.05 71.92 1.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 10.0 110.323 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.7 mttt -72.12 61.46 0.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.107 . . . . 10.0 109.266 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.504 ' O ' ' CB ' ' A' ' 25' ' ' SER . 0.6 OUTLIER -155.87 -47.03 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 10.0 110.316 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 2.6 t 85.15 -12.52 0.7 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 10.0 110.014 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 41.6 p30 -159.22 26.89 0.2 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 10.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -125.47 -150.67 7.79 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.521 1.138 . . . . 10.0 111.013 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.475 ' HB3' ' CA ' ' A' ' 102' ' ' SER . 18.1 Cg_endo -75.0 165.23 31.75 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.51 1.795 . . . . 10.0 110.984 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.754 ' O ' HG23 ' A' ' 31' ' ' VAL . 43.4 t -113.11 99.18 8.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 10.0 109.273 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.4 mttt -52.62 92.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 10.0 109.277 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.754 HG23 ' O ' ' A' ' 29' ' ' VAL . 97.2 t -84.87 127.07 40.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 10.0 109.299 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.482 ' CD1' ' N ' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -162.46 163.35 27.63 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.979 -1.119 . . . . 10.0 107.979 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.482 ' N ' ' CD1' ' A' ' 32' ' ' TRP . . . 168.74 -164.59 38.19 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.523 1.139 . . . . 10.0 111.006 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 88.0 p -157.2 120.21 4.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 0.776 . . . . 10.0 109.991 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.997 HG21 HD13 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -83.97 167.93 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 10.0 109.286 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.542 ' N ' HG23 ' A' ' 35' ' ' ILE . 15.5 mttt -153.92 115.85 4.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 10.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.472 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 127.23 -39.52 1.93 Allowed Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.543 1.152 . . . . 10.0 111.03 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.997 HD13 HG21 ' A' ' 35' ' ' ILE . 1.0 OUTLIER -52.63 -169.22 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 0.742 . . . . 10.0 109.301 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 70.2 p -128.15 150.61 49.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 10.0 110.435 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.729 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 7.4 pt-20 -57.07 117.59 4.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 10.0 110.31 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 145.9 158.36 7.69 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.452 1.095 . . . . 10.0 111.002 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.837 HD23 ' OG1' ' A' ' 88' ' ' THR . 6.6 mt -51.33 161.34 0.46 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 0.793 . . . . 10.0 109.331 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.471 ' HB2' ' CG2' ' A' ' 87' ' ' VAL . 80.2 m-70 -142.6 175.28 9.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.137 . . . . 10.0 109.605 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.447 ' C ' ' CD1' ' A' ' 45' ' ' PHE . . . -70.34 -131.83 0.08 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.501 1.126 . . . . 10.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.566 ' CD1' ' N ' ' A' ' 45' ' ' PHE . 1.1 m-85 -139.55 174.37 10.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 0.788 . . . . 10.0 111.008 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.605 ' HB2' HD13 ' A' ' 117' ' ' LEU . 0.0 OUTLIER -107.92 174.31 5.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 10.0 109.589 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.448 ' CG1' ' HB3' ' A' ' 64' ' ' PHE . 15.0 t 71.61 126.79 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 10.0 109.309 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.547 ' CG ' ' O ' ' A' ' 48' ' ' HIS . 14.2 p-80 -171.51 97.5 0.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 10.0 109.599 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.428 ' HB3' ' N ' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -37.49 96.65 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.526 1.141 . . . . 10.0 110.36 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 48' ' ' HIS . 0.3 OUTLIER -59.84 141.83 54.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 10.0 110.301 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.49 -50.7 28.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 10.0 110.289 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.6 t70 51.71 98.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.433 1.083 . . . . 10.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -110.53 -8.32 14.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 10.0 109.305 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.674 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 1.4 t -151.75 -49.57 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 10.0 110.354 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.674 ' HB2' ' O ' ' A' ' 54' ' ' THR . . . 163.96 118.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 10.0 109.3 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -176.9 61.12 0.1 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.481 1.113 . . . . 10.0 111.02 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 77.02 122.05 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.272 -1.01 . . . . 10.0 108.272 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 73.3 p -127.9 -157.0 0.78 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 10.0 110.398 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.3 p -170.63 32.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 10.0 109.978 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . 57.52 17.56 3.99 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.121 . . . . 10.0 109.329 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 138.82 77.23 0.06 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.476 1.11 . . . . 10.0 110.994 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 103.77 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.554 1.818 . . . . 10.0 110.959 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.512 ' CG ' ' O ' ' A' ' 63' ' ' HIS . 16.5 t-80 -148.45 33.04 0.79 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 10.0 109.602 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.509 ' CD1' ' HD3' ' A' ' 115' ' ' ARG . 38.3 m-85 -71.86 60.7 0.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 10.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.769 ' HB2' HG23 ' A' ' 81' ' ' VAL . 2.5 t30 -126.67 89.69 51.54 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 10.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.431 ' O ' ' HB2' ' A' ' 67' ' ' LEU . 18.4 Cg_endo -74.94 74.93 3.82 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.507 1.793 . . . . 10.0 110.998 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.431 ' HB2' ' O ' ' A' ' 66' ' ' PRO . 0.3 OUTLIER 79.38 -49.55 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 10.0 109.308 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.49 ' CB ' ' OD1' ' A' ' 65' ' ' ASN . 33.0 t 47.64 -102.17 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 10.0 109.946 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.419 ' CG ' ' O ' ' A' ' 67' ' ' LEU . 1.4 mtt180 73.59 -61.82 0.49 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.135 . . . . 10.0 110.34 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.454 ' CB ' ' HG2' ' A' ' 78' ' ' GLU . 0.0 OUTLIER -128.95 154.37 46.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.573 1.171 . . . . 10.0 109.238 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.465 ' CE1' ' O ' ' A' ' 72' ' ' GLY . 5.4 t60 -39.1 -88.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 10.0 109.617 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.465 ' O ' ' CE1' ' A' ' 71' ' ' HIS . . . 85.7 -163.16 36.6 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.523 1.139 . . . . 10.0 110.978 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 147.04 -103.57 0.27 Allowed Glycine 0 CA--C 1.531 1.036 0 N-CA-C 110.977 -0.849 . . . . 10.0 110.977 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -27.55 9.91 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.536 1.808 . . . . 10.0 111.004 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -63.9 -31.68 72.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 10.0 109.255 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 64.26 11.17 6.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.103 . . . . 10.0 109.29 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -87.8 6.18 36.51 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.495 1.122 . . . . 10.0 110.272 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.454 ' HG2' ' CB ' ' A' ' 70' ' ' LYS . 0.4 OUTLIER -169.63 -168.98 0.85 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 10.0 110.299 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.44 ' O ' ' HA ' ' A' ' 68' ' ' SER . 3.9 mpt_? -139.92 142.77 36.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 10.0 110.28 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.565 ' O ' HG12 ' A' ' 81' ' ' VAL . 27.3 t-80 -95.13 47.91 1.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 10.0 109.574 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.769 HG23 ' HB2' ' A' ' 65' ' ' ASN . 14.5 p 47.19 35.42 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 10.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -171.46 -38.44 0.03 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.466 1.103 . . . . 10.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 10.7 t70 49.88 96.07 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 0.757 . . . . 10.0 109.311 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -159.53 -81.61 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 10.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 161.54 168.75 23.88 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.507 1.129 . . . . 10.0 110.997 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.561 ' OD1' ' CE2' ' A' ' 45' ' ' PHE . 0.7 OUTLIER -86.88 148.34 25.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.398 0.705 . . . . 10.0 109.286 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.471 ' CG2' ' HB2' ' A' ' 43' ' ' HIS . 4.0 m -109.21 177.3 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 10.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.837 ' OG1' HD23 ' A' ' 42' ' ' LEU . 85.7 m -149.9 157.25 42.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 10.0 110.42 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.729 ' HB3' ' HA ' ' A' ' 40' ' ' GLU . . . -99.44 161.03 13.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 10.0 109.267 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.451 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 13.0 t0 -73.74 -97.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 10.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.451 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 8.7 ptmt -138.82 12.63 2.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 10.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -151.08 21.95 0.76 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 10.0 109.257 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.552 ' CA ' ' HB1' ' A' ' 89' ' ' ALA . . . 91.06 -32.11 5.32 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.506 1.129 . . . . 10.0 110.978 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.456 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 57.9 t -44.54 95.09 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.541 0.789 . . . . 10.0 109.344 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.473 ' N ' ' O ' ' A' ' 93' ' ' GLY . . . -98.61 117.89 34.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 10.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.429 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 3.8 p-10 -108.61 146.08 33.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 10.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.461 HG12 ' N ' ' A' ' 98' ' ' SER . 33.3 t -115.17 165.32 10.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 10.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.461 ' N ' HG12 ' A' ' 97' ' ' VAL . 6.4 p 179.66 75.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 10.0 109.996 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.539 HG22 ' N ' ' A' ' 100' ' ' GLU . 8.7 mt -129.21 168.31 22.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 10.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.539 ' N ' HG22 ' A' ' 99' ' ' ILE . 10.7 mp0 -133.06 102.71 5.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 10.0 110.308 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.464 ' O ' ' HA ' ' A' ' 28' ' ' PRO . 11.0 t0 -99.97 111.72 24.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 10.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.475 ' CA ' ' HB3' ' A' ' 28' ' ' PRO . 11.0 p -97.83 61.7 1.58 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 10.0 109.995 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 53.1 t -138.2 -47.41 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 10.0 109.223 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -82.97 -170.96 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 10.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.7 p 179.9 151.25 0.4 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 10.0 109.977 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.77 ' N ' HD23 ' A' ' 106' ' ' LEU . 0.1 OUTLIER -99.9 36.77 1.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 10.0 109.318 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -120.28 176.55 5.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 10.0 110.046 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.58 88.03 0.05 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.466 1.104 . . . . 10.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 165.95 -73.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 0.768 . . . . 10.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 29.4 m80 -108.1 20.35 18.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 10.0 109.568 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 26.2 p -39.02 101.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 10.0 109.983 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.415 ' H ' ' CD1' ' A' ' 112' ' ' ILE . 0.1 OUTLIER -85.32 -8.12 11.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 10.0 109.291 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.4 ' C ' ' O ' ' A' ' 112' ' ' ILE . 40.1 mm -39.81 105.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 10.0 109.337 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 118.13 30.0 1.85 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.509 1.13 . . . . 10.0 110.997 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.509 ' HD3' ' CD1' ' A' ' 64' ' ' PHE . 2.9 mmt-85 -85.07 119.38 25.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 0.746 . . . . 10.0 110.324 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.456 HG23 ' HA ' ' A' ' 146' ' ' CYS . 1.9 m -80.18 95.02 6.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 10.0 110.343 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.605 HD13 ' HB2' ' A' ' 46' ' ' HIS . 2.9 mm? -75.28 94.79 3.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 10.0 109.263 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 145' ' ' ALA . 12.3 p -113.07 171.14 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 10.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.788 HG21 HD11 ' A' ' 38' ' ' LEU . 18.4 m -130.0 -167.62 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 10.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -134.76 154.52 51.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 10.0 109.58 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -57.51 -39.64 76.95 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.526 1.141 . . . . 10.0 110.269 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.56 ' C ' ' HB1' ' A' ' 140' ' ' ALA . 0.0 OUTLIER -130.34 -168.62 2.0 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 10.0 109.289 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.635 ' HB2' ' C ' ' A' ' 42' ' ' LEU . . . -99.31 157.71 16.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 10.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.453 ' OD2' ' NE2' ' A' ' 71' ' ' HIS . 0.4 OUTLIER -83.55 -10.61 58.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 10.0 109.313 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.0 t70 64.81 24.68 12.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.11 . . . . 10.0 109.301 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 13.4 mt 65.21 11.84 7.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.455 1.097 . . . . 10.0 109.334 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 105.7 124.27 5.32 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.493 1.121 . . . . 10.0 111.05 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.478 ' CE ' ' HB3' ' A' ' 139' ' ' ASN . 0.1 OUTLIER -97.87 -38.31 9.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 0.773 . . . . 10.0 109.256 -179.916 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 100.2 11.43 42.37 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.474 1.109 . . . . 10.0 110.928 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -59.18 -150.19 0.01 OUTLIER Glycine 0 CA--C 1.531 1.049 0 N-CA-C 110.977 -0.849 . . . . 10.0 110.977 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' ASN . . . . . 0.408 ' HA ' HG21 ' A' ' 135' ' ' THR . 6.0 m120 -145.04 139.8 27.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 0.798 . . . . 10.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 50.29 22.13 0.93 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 10.0 110.345 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -140.71 -75.14 0.33 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 10.0 110.357 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.55 -13.36 59.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 10.0 109.971 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 135' ' ' THR . . . . . 0.408 HG21 ' HA ' ' A' ' 131' ' ' ASN . 30.6 p -81.14 -19.93 42.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 10.0 110.385 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.06 -33.08 6.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 10.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 76.9 p -134.0 -97.58 0.27 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 10.0 110.373 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' GLY . . . . . 0.432 ' C ' ' N ' ' A' ' 140' ' ' ALA . . . -178.72 35.3 0.08 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.496 1.123 . . . . 10.0 111.022 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 139' ' ' ASN . . . . . 0.478 ' HB3' ' CE ' ' A' ' 128' ' ' LYS . 0.1 OUTLIER 43.54 27.54 0.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 0.762 . . . . 10.0 109.307 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.56 ' HB1' ' C ' ' A' ' 122' ' ' LYS . . . -83.84 -62.53 1.55 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 10.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 176.32 -96.96 0.11 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.487 1.117 . . . . 10.0 110.971 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 6.6 t -173.4 172.98 3.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 0.775 . . . . 10.0 110.007 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' ARG . . . . . 0.472 ' HB3' HG21 ' A' ' 118' ' ' VAL . 1.6 mpp_? -64.58 159.73 21.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 10.0 110.327 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.466 ' O ' ' HB2' ' A' ' 145' ' ' ALA . 0.7 OUTLIER -170.97 46.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 10.0 109.299 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 145' ' ' ALA . . . . . 0.634 ' HB2' HG11 ' A' ' 14' ' ' VAL . . . 177.55 155.04 0.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 10.0 109.339 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 146' ' ' CYS . . . . . 0.633 ' SG ' HG23 ' A' ' 148' ' ' VAL . 5.4 t -157.61 61.75 0.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 10.0 108.303 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -49.59 -50.68 30.1 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.523 1.139 . . . . 10.0 110.986 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.633 HG23 ' SG ' ' A' ' 146' ' ' CYS . 3.5 t 64.46 129.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.436 0.727 . . . . 10.0 109.314 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 149' ' ' ILE . . . . . 0.549 HD13 ' HB2' ' A' ' 6' ' ' ALA . 19.4 mm -66.98 140.1 19.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 10.0 109.31 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 150' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 151' ' ' ILE . . . -141.14 102.55 0.31 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.48 1.113 . . . . 10.0 110.997 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 151' ' ' ILE . . . . . 0.736 HD12 HG21 ' A' ' 2' ' ' THR . 17.4 mm -38.82 123.84 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 0.774 . . . . 10.0 109.23 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 152' ' ' ALA . . . . . 0.749 ' HB3' ' O ' ' A' ' 3' ' ' LYS . . . -84.89 175.37 9.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 10.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 10.0 110.27 -179.956 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' A' ' 22' ' ' GLN . . . . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.333 -0.617 . . . . 10.0 109.333 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.733 HG21 HD12 ' A' ' 151' ' ' ILE . 2.2 m -98.44 111.1 23.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 10.0 110.424 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.971 ' O ' ' HB3' ' A' ' 152' ' ' ALA . 0.1 OUTLIER -86.2 105.03 16.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 10.0 109.3 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.504 ' HB1' HG22 ' A' ' 149' ' ' ILE . . . -89.04 158.27 18.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 10.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.801 HG23 ' HB2' ' A' ' 152' ' ' ALA . 1.8 t -128.7 151.54 35.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 10.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.631 ' HB2' HD13 ' A' ' 149' ' ' ILE . . . -149.29 90.17 1.71 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 10.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.666 HG12 HG23 ' A' ' 17' ' ' ILE . 33.8 m -83.89 108.02 15.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 10.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.683 HD11 ' O ' ' A' ' 117' ' ' LEU . 4.3 mm? -53.87 140.85 29.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 10.0 109.359 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 39.3 pttt -177.12 130.38 0.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 10.0 109.326 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 171.18 -85.2 0.08 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.462 1.101 . . . . 10.0 111.01 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -41.2 -40.93 1.7 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 0.778 . . . . 10.0 109.334 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.402 ' N ' ' CD ' ' A' ' 13' ' ' PRO . . . 126.29 -56.89 0.71 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.508 1.13 . . . . 10.0 111.008 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.402 ' CD ' ' N ' ' A' ' 12' ' ' GLY . 18.3 Cg_endo -74.98 -27.31 10.17 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.441 1.758 . . . . 10.0 110.989 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.444 ' CG1' ' HB2' ' A' ' 145' ' ' ALA . 24.1 t -81.73 109.17 15.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.128 . . . . 10.0 109.349 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -128.65 37.48 4.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.421 1.076 . . . . 10.0 110.315 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.479 ' CA ' ' HB2' ' A' ' 8' ' ' LEU . . . -53.27 167.15 1.36 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.448 1.092 . . . . 10.0 111.004 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.666 HG23 HG12 ' A' ' 7' ' ' VAL . 8.9 mt -145.11 109.72 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.465 0.744 . . . . 10.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.478 HD11 ' CE1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -130.59 142.27 44.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 10.0 109.273 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -122.71 164.57 18.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 10.0 109.302 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.804 ' CD1' HD12 ' A' ' 149' ' ' ILE . 1.7 m-85 -130.3 104.97 7.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 10.0 110.982 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 30' ' ' LYS . 15.9 tt0 -115.67 133.92 55.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 10.0 110.284 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.645 ' OE1' HG22 ' A' ' 29' ' ' VAL . 31.7 tt0 -128.51 59.5 1.53 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 10.0 110.273 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.76 66.31 0.35 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 10.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.518 ' O ' ' CB ' ' A' ' 25' ' ' SER . 0.7 OUTLIER -144.75 -57.0 0.35 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.558 1.161 . . . . 10.0 110.32 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.518 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 2.6 t 86.23 -14.45 0.52 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 10.0 110.013 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 12.1 m-20 -154.09 24.1 0.49 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 10.0 109.292 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -134.0 -171.13 12.5 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.509 1.131 . . . . 10.0 110.989 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.469 ' HA ' ' O ' ' A' ' 101' ' ' ASP . 18.3 Cg_endo -74.98 157.95 42.55 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.547 1.814 . . . . 10.0 110.987 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.645 HG22 ' OE1' ' A' ' 22' ' ' GLN . 47.7 t -87.54 126.85 41.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.102 . . . . 10.0 109.282 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 21' ' ' GLU . 35.0 mttt -78.11 94.77 4.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 10.0 109.306 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.56 HG13 ' CE1' ' A' ' 20' ' ' PHE . 7.9 t -95.84 127.32 48.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.525 1.14 . . . . 10.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.403 ' HA ' ' C ' ' A' ' 97' ' ' VAL . 0.5 OUTLIER -157.31 156.48 32.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 10.0 108.001 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.424 ' O ' ' HA ' ' A' ' 96' ' ' ASP . . . 177.73 -167.69 38.76 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.557 1.161 . . . . 10.0 110.994 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 64.0 p -156.78 121.15 4.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 0.753 . . . . 10.0 109.969 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.689 HG21 HD13 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -84.4 165.37 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 10.0 109.299 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.495 ' CG ' ' O ' ' A' ' 35' ' ' ILE . 18.8 mttt -156.27 114.92 3.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 10.0 109.318 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.44 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 135.91 -48.53 0.92 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.49 1.119 . . . . 10.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.837 HD11 HG21 ' A' ' 119' ' ' VAL . 1.1 mp -53.87 -169.21 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.542 0.789 . . . . 10.0 109.295 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.435 ' O ' ' C ' ' A' ' 40' ' ' GLU . 53.4 p -137.52 145.74 43.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 10.0 110.416 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.757 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -35.83 125.43 0.71 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 10.0 110.292 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 135.04 179.87 16.96 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.551 1.157 . . . . 10.0 110.993 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.57 HD22 HD11 ' A' ' 126' ' ' LEU . 6.9 mp -80.62 155.82 26.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 0.748 . . . . 10.0 109.352 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.703 ' CD2' HD22 ' A' ' 38' ' ' LEU . 90.4 m-70 -150.27 75.8 1.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.098 . . . . 10.0 109.564 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.519 ' HA3' ' CG ' ' A' ' 120' ' ' HIS . . . 35.06 -143.31 0.08 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.51 1.131 . . . . 10.0 111.018 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -152.58 159.56 43.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 0.764 . . . . 10.0 111.003 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.712 ' C ' HG23 ' A' ' 47' ' ' VAL . 2.0 p80 -62.58 174.75 0.92 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 10.0 109.648 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.794 HG12 HG22 ' A' ' 81' ' ' VAL . 1.9 t 77.06 71.89 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 10.0 109.274 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.515 ' CE1' ' NE2' ' A' ' 120' ' ' HIS . 41.7 m80 -146.09 131.66 18.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 10.0 109.589 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -48.58 102.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 10.0 110.279 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -69.7 -39.7 76.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 10.0 110.291 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.496 ' O ' ' CB ' ' A' ' 52' ' ' ASP . 2.2 pt-20 39.0 -97.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 10.0 110.251 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.511 ' OD1' HG22 ' A' ' 54' ' ' THR . 1.2 t0 81.3 146.86 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 10.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 44.1 m-20 -100.77 43.77 1.04 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 10.0 109.251 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.628 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 9.2 t -142.98 -45.79 0.3 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 10.0 110.439 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.628 ' HB2' ' O ' ' A' ' 54' ' ' THR . . . 168.36 -61.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 10.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 128.01 -100.79 0.54 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.482 1.114 . . . . 10.0 111.015 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -172.28 -66.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.296 -1.002 . . . . 10.0 108.296 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.612 HG22 ' N ' ' A' ' 59' ' ' SER . 0.6 OUTLIER -103.79 -65.23 1.03 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 10.0 110.426 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.612 ' N ' HG22 ' A' ' 58' ' ' THR . 1.0 OUTLIER 81.93 88.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 10.0 110.025 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -117.81 -68.73 0.9 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 10.0 109.3 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -143.45 68.12 0.44 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.502 1.127 . . . . 10.0 111.022 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 79.96 2.54 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.517 1.798 . . . . 10.0 111.017 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -140.84 23.21 2.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 10.0 109.584 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.479 ' HB3' HG21 ' A' ' 81' ' ' VAL . 6.2 m-85 -83.2 105.17 13.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 10.0 111.001 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 25.1 m-80 -105.76 153.77 39.77 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 10.0 109.298 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -7.62 19.35 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.51 1.795 . . . . 10.0 110.971 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.541 HD12 ' C ' ' A' ' 67' ' ' LEU . 0.5 OUTLIER -64.42 -23.98 67.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 10.0 109.348 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.434 ' HB3' ' N ' ' A' ' 80' ' ' HIS . 0.8 OUTLIER -66.75 -49.23 66.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 10.0 110.031 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.412 ' HD2' ' CB ' ' A' ' 83' ' ' ASP . 0.2 OUTLIER -90.79 61.29 4.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 10.0 110.273 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.493 ' HG2' ' CB ' ' A' ' 78' ' ' GLU . 0.8 OUTLIER -71.79 104.57 3.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 10.0 109.294 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.567 ' CG ' ' O ' ' A' ' 71' ' ' HIS . 1.3 p-80 55.83 107.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 10.0 109.608 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -161.63 -145.82 4.44 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.521 1.138 . . . . 10.0 111.023 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 113.26 -120.26 5.12 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.009 -0.836 . . . . 10.0 111.009 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 59.04 5.1 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.455 1.766 . . . . 10.0 110.97 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 180.0 -38.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 10.0 109.303 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 62.74 92.52 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 10.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.405 ' HG2' ' NE2' ' A' ' 71' ' ' HIS . 5.2 tp10 -115.52 -14.39 11.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 10.0 110.331 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.554 ' O ' ' CB ' ' A' ' 79' ' ' ARG . 0.3 OUTLIER -166.44 156.47 11.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 10.0 110.303 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.554 ' CB ' ' O ' ' A' ' 78' ' ' GLU . 0.4 OUTLIER 154.38 60.95 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 10.0 110.337 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.434 ' N ' ' HB3' ' A' ' 68' ' ' SER . 0.1 OUTLIER -57.73 -16.56 11.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 10.0 109.611 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.794 HG22 HG12 ' A' ' 47' ' ' VAL . 3.9 p -75.93 -36.28 31.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.15 . . . . 10.0 109.347 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 118.36 11.5 8.04 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.475 1.109 . . . . 10.0 111.033 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.412 ' CB ' ' HD2' ' A' ' 69' ' ' ARG . 0.4 OUTLIER -72.37 103.6 3.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 0.752 . . . . 10.0 109.335 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.97 -77.88 0.07 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 10.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.405 ' O ' ' OD1' ' A' ' 86' ' ' ASN . . . -141.25 -113.85 1.05 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.484 1.115 . . . . 10.0 110.954 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.405 ' OD1' ' O ' ' A' ' 85' ' ' GLY . 4.5 m-20 -146.09 166.64 25.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 0.784 . . . . 10.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' A' ' 42' ' ' LEU . 6.2 m -107.63 -176.74 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 10.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.9 m -151.84 142.65 22.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 10.0 110.422 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.757 ' HB3' ' HA ' ' A' ' 40' ' ' GLU . . . -85.3 162.49 19.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 10.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.439 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 12.2 t0 -71.17 -96.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 10.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.439 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -136.16 8.85 3.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 10.0 109.276 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -157.47 26.31 0.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 10.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.66 ' CA ' ' HB1' ' A' ' 89' ' ' ALA . . . 97.89 -43.85 1.89 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.546 1.154 . . . . 10.0 110.986 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.481 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 20.5 t -38.37 102.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.468 0.746 . . . . 10.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.516 ' HB3' ' HB ' ' A' ' 35' ' ' ILE . . . -103.79 117.1 33.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 10.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.424 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 4.8 p-10 -98.07 150.45 21.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 10.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.403 ' C ' ' HA ' ' A' ' 32' ' ' TRP . 80.2 t -120.52 155.67 23.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 10.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.6 t -179.74 78.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 10.0 110.008 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.519 HG22 ' H ' ' A' ' 100' ' ' GLU . 9.6 mt -136.01 170.59 18.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.418 1.074 . . . . 10.0 109.35 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.519 ' H ' HG22 ' A' ' 99' ' ' ILE . 0.1 OUTLIER -127.15 104.89 8.21 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 10.0 110.278 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.469 ' O ' ' HA ' ' A' ' 28' ' ' PRO . 5.2 m-20 -84.95 111.0 19.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 10.0 109.275 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 83.6 p -91.46 9.88 30.03 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.532 1.145 . . . . 10.0 110.012 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.458 HG12 ' N ' ' A' ' 104' ' ' ILE . 25.4 t -104.41 -80.88 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.093 . . . . 10.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.458 ' N ' HG12 ' A' ' 103' ' ' VAL . 2.8 pp -53.99 164.31 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 10.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.656 ' O ' HG23 ' A' ' 112' ' ' ILE . 0.3 OUTLIER -170.49 172.34 6.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 10.0 110.044 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.581 HD22 ' HB ' ' A' ' 2' ' ' THR . 3.5 mp -97.8 40.73 1.15 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 10.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 25.2 m -111.22 169.67 8.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 10.0 110.015 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -78.05 52.98 3.73 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.511 1.132 . . . . 10.0 110.983 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -153.12 -51.91 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 0.765 . . . . 10.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.404 ' O ' ' O ' ' A' ' 111' ' ' SER . 25.4 m80 -95.6 -52.43 4.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 10.0 109.574 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.404 ' O ' ' O ' ' A' ' 110' ' ' HIS . 1.0 OUTLIER 54.74 106.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 10.0 110.021 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.786 HD12 ' CD2' ' A' ' 20' ' ' PHE . 0.6 OUTLIER -86.16 -34.64 8.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.163 . . . . 10.0 109.3 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 22.6 mm -41.17 130.9 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 10.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 93.96 -0.2 66.72 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.512 1.133 . . . . 10.0 110.976 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 2.6 mmm180 -92.11 59.26 3.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 0.745 . . . . 10.0 110.353 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.649 HG23 HG13 ' A' ' 118' ' ' VAL . 5.8 t -46.0 152.13 0.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 10.0 110.379 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.683 ' O ' HD11 ' A' ' 8' ' ' LEU . 0.7 OUTLIER -104.6 61.59 0.71 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 10.0 109.339 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.649 HG13 HG23 ' A' ' 116' ' ' THR . 22.0 m -71.32 171.7 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 10.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.837 HG21 HD11 ' A' ' 38' ' ' LEU . 5.5 m -141.43 158.51 22.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 10.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.519 ' CG ' ' HA3' ' A' ' 44' ' ' GLY . 7.6 m170 -84.97 169.8 13.67 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.465 1.103 . . . . 10.0 109.606 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.462 ' HA ' HD11 ' A' ' 144' ' ' LEU . 0.2 OUTLIER -81.65 -22.6 37.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 10.0 110.299 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.507 ' HB3' ' HB1' ' A' ' 140' ' ' ALA . 3.3 tmtt? -155.48 163.47 39.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 10.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -49.96 169.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 10.0 109.283 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.486 ' CB ' ' HA3' ' A' ' 138' ' ' GLY . 4.7 p-10 169.7 82.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 10.0 109.239 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 126' ' ' LEU . 0.2 OUTLIER 179.1 -41.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 10.0 109.321 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.57 HD11 HD22 ' A' ' 42' ' ' LEU . 0.3 OUTLIER -38.76 -54.75 1.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 10.0 109.302 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 117.76 74.1 0.48 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.516 1.135 . . . . 10.0 111.042 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 1.4 pttm -55.17 -23.57 22.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 0.779 . . . . 10.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 161.26 -28.67 0.3 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.51 1.131 . . . . 10.0 110.992 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 102.03 111.6 3.5 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.976 -0.85 . . . . 10.0 110.976 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' ASN . . . . . 0.545 ' O ' ' N ' ' A' ' 135' ' ' THR . 0.7 OUTLIER -145.88 151.26 37.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 0.754 . . . . 10.0 109.357 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -38.64 -29.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 10.0 110.347 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 131' ' ' ASN . 0.0 OUTLIER -90.01 -52.0 5.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 10.0 110.308 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 134' ' ' SER . . . . . 0.425 ' HA ' ' N ' ' A' ' 138' ' ' GLY . 2.3 t -64.13 -51.15 65.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 10.0 109.963 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 135' ' ' THR . . . . . 0.545 ' N ' ' O ' ' A' ' 131' ' ' ASN . 0.6 OUTLIER -45.16 -24.86 0.29 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 10.0 110.443 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.403 ' N ' ' C ' ' A' ' 134' ' ' SER . 0.6 OUTLIER -103.16 -30.26 10.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 10.0 109.306 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 137' ' ' THR . . . . . 0.415 ' N ' ' O ' ' A' ' 134' ' ' SER . 75.9 p -137.41 -100.47 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 10.0 110.34 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 138' ' ' GLY . . . . . 0.486 ' HA3' ' CB ' ' A' ' 124' ' ' ASP . . . 173.17 39.64 0.04 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.511 1.132 . . . . 10.0 111.011 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 34.0 t-20 57.88 18.55 5.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 0.793 . . . . 10.0 109.274 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.507 ' HB1' ' HB3' ' A' ' 122' ' ' LYS . . . -155.14 68.83 0.7 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.429 1.08 . . . . 10.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -108.79 94.14 0.83 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.481 1.113 . . . . 10.0 111.023 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -151.5 78.39 1.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 0.785 . . . . 10.0 110.015 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 143' ' ' ARG . . . . . 0.62 ' O ' HD23 ' A' ' 144' ' ' LEU . 0.0 OUTLIER -44.99 157.76 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 10.0 110.33 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.62 HD23 ' O ' ' A' ' 143' ' ' ARG . 17.4 mt -144.75 154.0 42.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 10.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 145' ' ' ALA . . . . . 0.517 ' O ' HG12 ' A' ' 118' ' ' VAL . . . 54.88 168.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 10.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 146' ' ' CYS . . . . . 0.503 ' HA ' HG12 ' A' ' 118' ' ' VAL . 32.0 p -155.48 71.21 0.76 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.49 1.119 . . . . 10.0 108.254 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 147' ' ' GLY . . . . . 0.433 ' H ' HD13 ' A' ' 8' ' ' LEU . . . -51.59 -54.41 24.7 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.471 1.107 . . . . 10.0 110.986 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.531 HG22 ' HB ' ' A' ' 116' ' ' THR . 45.0 t 66.08 129.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.574 0.808 . . . . 10.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 149' ' ' ILE . . . . . 0.804 HD12 ' CD1' ' A' ' 20' ' ' PHE . 8.4 mm -78.73 120.44 29.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.119 . . . . 10.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -123.92 126.1 6.06 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.496 1.123 . . . . 10.0 110.995 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 151' ' ' ILE . . . . . 0.733 HD12 HG21 ' A' ' 2' ' ' THR . 19.2 mm -47.62 141.11 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.531 0.783 . . . . 10.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 152' ' ' ALA . . . . . 0.971 ' HB3' ' O ' ' A' ' 3' ' ' LYS . . . -138.31 170.81 15.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.159 . . . . 10.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 10.0 110.33 -179.997 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.252 -0.648 . . . . 10.0 109.252 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.428 ' CG2' HD22 ' A' ' 106' ' ' LEU . 8.5 m -95.8 96.25 8.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 10.0 110.371 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.405 ' HA ' ' O ' ' A' ' 20' ' ' PHE . 5.9 ttmt -103.8 110.78 23.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 10.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.638 ' HB1' HG22 ' A' ' 149' ' ' ILE . . . -114.78 170.3 8.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 10.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.633 HG22 ' HB2' ' A' ' 152' ' ' ALA . 0.0 OUTLIER -149.86 164.18 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 10.0 109.292 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.637 ' HB1' ' C ' ' A' ' 147' ' ' GLY . . . -150.89 106.29 3.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 10.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 73.2 t -84.36 91.04 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.122 . . . . 10.0 109.271 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.511 HD21 ' CG2' ' A' ' 18' ' ' ILE . 0.2 OUTLIER -42.11 138.37 1.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 10.0 109.242 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.8 tttt -178.17 127.41 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.113 . . . . 10.0 109.296 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 175.07 -92.56 0.09 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.473 1.108 . . . . 10.0 111.013 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -41.29 -56.73 2.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 0.734 . . . . 10.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.429 ' N ' ' CD ' ' A' ' 13' ' ' PRO . . . 151.69 -54.84 0.46 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.511 1.132 . . . . 10.0 111.034 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.461 ' O ' ' N ' ' A' ' 15' ' ' GLN . 18.3 Cg_endo -75.0 -56.1 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.479 1.779 . . . . 10.0 111.016 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 57.9 t -56.04 87.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 10.0 109.352 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' A' ' 13' ' ' PRO . 0.0 OUTLIER -132.09 52.51 2.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 10.0 110.325 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.424 ' N ' ' HB2' ' A' ' 8' ' ' LEU . . . -82.92 -168.45 42.9 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.52 1.137 . . . . 10.0 111.03 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.419 HG13 ' C ' ' A' ' 16' ' ' GLY . 71.4 mt -141.86 117.57 6.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 0.772 . . . . 10.0 109.255 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.979 HD12 ' N ' ' A' ' 19' ' ' ASN . 0.1 OUTLIER -113.0 129.56 68.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 10.0 109.31 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.979 ' N ' HD12 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -111.99 141.85 45.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 10.0 109.272 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.787 ' CZ ' HG11 ' A' ' 31' ' ' VAL . 1.9 m-85 -118.45 109.69 16.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.084 . . . . 10.0 110.985 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.479 ' HB2' ' CH2' ' A' ' 32' ' ' TRP . 1.7 tt0 -113.29 143.1 45.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 10.0 110.283 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.629 ' HG3' HG22 ' A' ' 29' ' ' VAL . 7.2 tt0 -155.65 77.78 0.98 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 10.0 110.311 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.0 mtpt -72.82 59.28 0.48 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 10.0 109.303 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.484 ' O ' ' CB ' ' A' ' 25' ' ' SER . 0.0 OUTLIER -155.62 -50.1 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 10.0 110.297 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.484 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 0.6 OUTLIER 84.35 -9.73 0.91 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.157 . . . . 10.0 110.037 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -161.09 28.05 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 10.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -131.94 -146.28 5.69 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.527 1.142 . . . . 10.0 110.993 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 136.01 19.81 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.519 1.799 . . . . 10.0 110.993 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.629 HG22 ' HG3' ' A' ' 22' ' ' GLN . 94.3 t -102.33 113.62 39.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 10.0 109.247 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 21' ' ' GLU . 15.2 mttt -79.52 95.11 5.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 10.0 109.258 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.787 HG11 ' CZ ' ' A' ' 20' ' ' PHE . 0.9 OUTLIER -101.39 132.58 46.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.565 1.166 . . . . 10.0 109.313 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.502 ' NE1' ' ND2' ' A' ' 19' ' ' ASN . 23.8 p90 -156.53 148.0 22.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 10.0 107.957 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.407 ' O ' ' HA ' ' A' ' 96' ' ' ASP . . . -166.61 -168.92 29.52 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.523 1.139 . . . . 10.0 110.978 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 65.7 p -155.89 120.19 4.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 0.739 . . . . 10.0 109.974 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.471 ' HB ' ' HB3' ' A' ' 95' ' ' ALA . 1.3 mp -87.78 159.86 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.143 . . . . 10.0 109.278 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.42 ' O ' ' O ' ' A' ' 13' ' ' PRO . 14.9 mttt -143.07 109.51 5.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 10.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.44 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 130.47 -26.12 4.16 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.484 1.115 . . . . 10.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.557 HD22 ' CD2' ' A' ' 43' ' ' HIS . 3.1 mt -55.21 -164.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 0.765 . . . . 10.0 109.279 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 41' ' ' GLY . 2.3 p -149.32 142.99 25.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 10.0 110.373 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.555 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 28.0 tt0 -43.44 95.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 10.0 110.31 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 39' ' ' THR . . . 165.48 177.93 38.18 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.44 1.088 . . . . 10.0 110.985 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.828 ' O ' ' HB2' ' A' ' 123' ' ' ALA . 2.1 mp -89.27 146.77 24.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 0.784 . . . . 10.0 109.345 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.557 ' CD2' HD22 ' A' ' 38' ' ' LEU . 2.7 m-70 -155.37 130.94 9.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 10.0 109.619 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.425 ' N ' ' HB2' ' A' ' 120' ' ' HIS . . . -42.36 154.96 0.13 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.474 1.109 . . . . 10.0 111.036 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.604 ' HB3' ' CD2' ' A' ' 46' ' ' HIS . 0.0 OUTLIER -164.36 144.23 7.72 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 0.769 . . . . 10.0 111.03 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.737 ' CE1' HD13 ' A' ' 117' ' ' LEU . 0.2 OUTLIER 56.94 159.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 10.0 109.637 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.571 HG23 ' C ' ' A' ' 46' ' ' HIS . 0.0 OUTLIER 49.91 176.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.54 1.15 . . . . 10.0 109.292 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.557 ' CG ' ' O ' ' A' ' 47' ' ' VAL . 4.6 m170 90.98 84.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 10.0 109.558 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.46 ' HA ' ' CG ' ' A' ' 62' ' ' PRO . 5.0 tt0 -43.11 106.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 10.0 110.288 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.23 -168.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 10.0 110.276 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.16 -59.99 2.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 10.0 110.3 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.03 -179.67 5.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 10.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -121.85 24.09 9.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 10.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.516 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 6.9 t -142.59 -47.78 0.33 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.157 . . . . 10.0 110.392 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.516 ' HB3' ' O ' ' A' ' 54' ' ' THR . . . 72.04 -58.23 0.59 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 10.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 100.03 63.96 0.81 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.478 1.111 . . . . 10.0 110.97 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 9.9 p -167.0 -52.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.277 -1.009 . . . . 10.0 108.277 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -150.63 -167.35 2.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 10.0 110.397 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.539 ' HB2' HG11 ' A' ' 148' ' ' VAL . 1.1 m -69.67 64.34 0.19 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 10.0 109.979 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.78 89.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 10.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -139.47 112.06 0.81 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.495 1.122 . . . . 10.0 110.987 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.46 ' CG ' ' HA ' ' A' ' 49' ' ' GLU . 18.2 Cg_endo -74.99 179.1 6.41 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.476 1.777 . . . . 10.0 111.011 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.544 ' O ' ' CG ' ' A' ' 64' ' ' PHE . 81.7 t60 -83.64 -59.48 2.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 10.0 109.619 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.544 ' CG ' ' O ' ' A' ' 63' ' ' HIS . 0.3 OUTLIER 160.27 -167.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 10.0 111.016 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.895 ' HB3' HG23 ' A' ' 81' ' ' VAL . 6.6 p-10 -132.83 88.88 36.35 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.147 . . . . 10.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.415 ' O ' ' HB2' ' A' ' 67' ' ' LEU . 18.3 Cg_endo -75.07 90.13 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.474 1.776 . . . . 10.0 110.966 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.593 HD12 ' CD ' ' A' ' 69' ' ' ARG . 0.2 OUTLIER 79.9 -50.8 0.38 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.141 . . . . 10.0 109.301 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.448 ' O ' ' CB ' ' A' ' 69' ' ' ARG . 8.0 p 53.28 -91.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 10.0 110.028 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.593 ' CD ' HD12 ' A' ' 67' ' ' LEU . 3.9 mtp180 80.93 -51.48 0.31 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 10.0 110.283 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.501 ' CB ' ' O ' ' A' ' 69' ' ' ARG . 7.5 pttt 88.75 168.37 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 10.0 109.319 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.514 ' O ' ' CD2' ' A' ' 71' ' ' HIS . 0.0 OUTLIER 78.97 6.3 2.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 10.0 109.615 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.445 ' N ' ' OE1' ' A' ' 78' ' ' GLU . . . -71.16 -168.96 8.92 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.512 1.132 . . . . 10.0 111.049 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.634 ' C ' HD13 ' A' ' 126' ' ' LEU . . . -115.05 -127.39 4.29 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.023 -0.831 . . . . 10.0 111.023 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.458 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 18.1 Cg_endo -75.02 -52.98 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.537 1.809 . . . . 10.0 110.977 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.462 ' CD ' ' O ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER 167.11 88.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 10.0 109.328 -179.938 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 168.18 -40.78 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 10.0 109.319 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -86.64 1.38 52.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 10.0 110.305 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.445 ' OE1' ' N ' ' A' ' 72' ' ' GLY . 0.5 OUTLIER -176.14 -170.11 0.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 10.0 110.298 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.494 ' O ' ' CA ' ' A' ' 83' ' ' ASP . 13.1 mmt-85 -115.21 -37.24 4.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 10.0 110.263 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.697 ' O ' ' C ' ' A' ' 81' ' ' VAL . 3.5 t60 48.25 98.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 10.0 109.568 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.895 HG23 ' HB3' ' A' ' 65' ' ' ASN . 7.3 p -9.06 89.4 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 10.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 80' ' ' HIS . . . 92.65 62.96 1.12 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.537 1.148 . . . . 10.0 111.029 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.494 ' CA ' ' O ' ' A' ' 79' ' ' ARG . 0.0 OUTLIER -62.81 140.68 58.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 0.768 . . . . 10.0 109.252 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.405 ' HG ' ' N ' ' A' ' 85' ' ' GLY . 38.2 tp -177.98 -92.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 10.0 109.331 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.405 ' N ' ' HG ' ' A' ' 84' ' ' LEU . . . 176.51 -154.95 17.71 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.518 1.137 . . . . 10.0 111.0 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -143.18 171.78 13.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 0.772 . . . . 10.0 109.294 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.431 ' C ' ' HG1' ' A' ' 88' ' ' THR . 3.0 m -118.2 -166.22 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 10.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.431 ' HG1' ' C ' ' A' ' 87' ' ' VAL . 42.1 m -155.23 145.01 21.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 10.0 110.416 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.555 ' HB3' ' HA ' ' A' ' 40' ' ' GLU . . . -85.08 164.94 17.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.56 1.162 . . . . 10.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.437 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 16.0 t0 -74.57 -98.64 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.456 1.098 . . . . 10.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.437 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 0.5 OUTLIER -137.49 10.04 2.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 10.0 109.296 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -148.6 19.91 1.04 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 10.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.546 ' CA ' ' HB1' ' A' ' 89' ' ' ALA . . . 95.29 -35.52 4.24 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.512 1.133 . . . . 10.0 111.04 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.464 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 25.6 t -41.39 103.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.52 0.776 . . . . 10.0 109.331 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.471 ' HB3' ' HB ' ' A' ' 35' ' ' ILE . . . -103.45 113.45 26.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 10.0 109.305 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.407 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 3.6 p-10 -110.02 148.42 31.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 10.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.419 ' CG1' HD12 ' A' ' 99' ' ' ILE . 36.3 t -117.29 161.26 16.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.09 . . . . 10.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.402 ' H ' HD12 ' A' ' 99' ' ' ILE . 0.3 OUTLIER -177.24 75.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 10.0 109.973 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.478 HG22 ' N ' ' A' ' 100' ' ' GLU . 3.6 mp -130.38 164.3 33.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 10.0 109.34 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.478 ' N ' HG22 ' A' ' 99' ' ' ILE . 1.4 mt-10 -122.48 94.58 4.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 10.0 110.306 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -85.84 122.74 30.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 10.0 109.259 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 71.2 p -103.33 -41.02 6.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.102 . . . . 10.0 110.003 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 65.0 t -42.97 -75.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 10.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.702 ' C ' HD12 ' A' ' 104' ' ' ILE . 1.8 pp -52.21 -179.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.107 . . . . 10.0 109.327 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -171.04 157.67 5.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 10.0 110.018 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.91 HD23 HG12 ' A' ' 113' ' ' ILE . 1.8 mp -99.07 46.07 0.99 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 10.0 109.36 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 109' ' ' ASP . 0.6 OUTLIER -143.19 179.08 7.28 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 10.0 109.935 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.03 80.6 0.02 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.44 1.088 . . . . 10.0 111.044 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 107' ' ' SER . 2.9 m-20 -179.07 -67.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 0.745 . . . . 10.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.411 ' CB ' ' HA ' ' A' ' 104' ' ' ILE . 11.8 m80 -127.29 37.2 4.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 10.0 109.619 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 87.3 p -39.22 106.51 0.05 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 10.0 110.022 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.481 HG23 ' HB ' ' A' ' 104' ' ' ILE . 6.3 pt -84.95 -35.38 9.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 10.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.91 HG12 HD23 ' A' ' 106' ' ' LEU . 3.0 mm -41.73 112.32 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 10.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 122.43 4.84 8.86 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.494 1.121 . . . . 10.0 111.005 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.512 ' O ' ' CD2' ' A' ' 117' ' ' LEU . 4.2 mmm-85 -86.24 72.28 10.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 0.787 . . . . 10.0 110.295 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.636 HG23 HG13 ' A' ' 118' ' ' VAL . 14.5 t -38.06 148.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 10.0 110.392 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.737 HD13 ' CE1' ' A' ' 46' ' ' HIS . 0.1 OUTLIER -103.52 75.8 1.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 10.0 109.295 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 1.056 HG12 ' O ' ' A' ' 145' ' ' ALA . 33.8 m -93.88 125.75 46.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 10.0 109.303 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.579 HG22 ' CZ ' ' A' ' 45' ' ' PHE . 4.3 t -89.6 168.36 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 10.0 109.313 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.435 ' H ' HG12 ' A' ' 119' ' ' VAL . 1.0 OUTLIER -113.25 142.92 45.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 10.0 109.556 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.413 ' CB ' ' HA3' ' A' ' 141' ' ' GLY . 1.6 tt0 -50.84 -29.01 10.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 10.0 110.316 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -156.84 -176.62 6.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.138 . . . . 10.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.828 ' HB2' ' O ' ' A' ' 42' ' ' LEU . . . -81.72 173.13 12.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 10.0 109.292 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -117.3 94.47 4.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 10.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -52.23 -22.59 4.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 10.0 109.306 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.634 HD13 ' C ' ' A' ' 73' ' ' GLY . 9.5 mt 60.5 14.78 5.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 10.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -93.05 -127.45 4.48 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.475 1.109 . . . . 10.0 110.995 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -142.95 43.13 1.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 0.746 . . . . 10.0 109.265 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -80.13 49.89 3.85 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.499 1.124 . . . . 10.0 110.986 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 152.69 -156.13 26.53 Favored Glycine 0 CA--C 1.531 1.04 0 N-CA-C 110.977 -0.849 . . . . 10.0 110.977 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -151.36 126.22 9.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 0.779 . . . . 10.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 69.75 6.74 5.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 10.0 110.265 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -130.27 -67.37 0.74 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.159 . . . . 10.0 110.291 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 58.4 m -73.94 -20.15 60.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 10.0 110.011 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 82.8 p -70.82 -20.52 62.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 10.0 110.419 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.87 ' HG3' HG23 ' A' ' 137' ' ' THR . 2.2 pttt -106.92 -34.05 7.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 10.0 109.265 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 137' ' ' THR . . . . . 0.87 HG23 ' HG3' ' A' ' 136' ' ' LYS . 31.7 p -122.97 -89.31 0.6 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 10.0 110.432 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 156.5 46.27 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.429 1.081 . . . . 10.0 110.983 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 64.24 14.28 8.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 0.768 . . . . 10.0 109.286 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -47.1 -68.99 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 10.0 109.343 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' GLY . . . . . 0.413 ' HA3' ' CB ' ' A' ' 121' ' ' GLU . . . 148.28 -96.27 0.17 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.507 1.129 . . . . 10.0 111.006 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 142' ' ' SER . . . . . 0.577 ' O ' HD23 ' A' ' 144' ' ' LEU . 1.1 t -163.6 161.83 24.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 0.768 . . . . 10.0 109.998 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.81 123.2 25.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 10.0 110.308 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.693 ' O ' ' HB3' ' A' ' 145' ' ' ALA . 0.4 OUTLIER -123.6 148.39 46.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.45 1.094 . . . . 10.0 109.283 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 145' ' ' ALA . . . . . 1.056 ' O ' HG12 ' A' ' 118' ' ' VAL . . . 83.77 168.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 10.0 109.349 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 146' ' ' CYS . . . . . 0.409 ' HA ' ' OG1' ' A' ' 116' ' ' THR . 26.1 p -155.86 71.34 0.74 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 10.0 108.344 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 147' ' ' GLY . . . . . 0.637 ' C ' ' HB1' ' A' ' 6' ' ' ALA . . . -83.62 64.61 4.27 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.515 1.134 . . . . 10.0 111.036 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.539 HG11 ' HB2' ' A' ' 59' ' ' SER . 41.6 t -62.46 121.31 10.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.517 0.775 . . . . 10.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 149' ' ' ILE . . . . . 0.697 ' H ' HD12 ' A' ' 149' ' ' ILE . 3.8 mp -68.91 114.68 6.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 10.0 109.292 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -122.69 138.55 11.91 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.537 1.148 . . . . 10.0 110.993 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 25.3 mm -46.99 137.29 2.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.522 0.778 . . . . 10.0 109.283 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 152' ' ' ALA . . . . . 0.633 ' HB2' HG22 ' A' ' 5' ' ' VAL . . . -96.1 168.79 10.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 10.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 10.0 110.294 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.734 ' HB3' ' HA ' ' A' ' 23' ' ' LYS . . . . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.283 -0.636 . . . . 10.0 109.283 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.549 HG23 ' CD1' ' A' ' 151' ' ' ILE . 2.2 m -126.93 136.52 52.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 10.0 110.391 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.7 ttmt -156.05 89.98 1.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 10.0 109.325 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.852 ' HB3' ' HB2' ' A' ' 20' ' ' PHE . . . -84.48 161.76 20.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 10.0 109.274 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.6 t -146.29 158.87 11.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 10.0 109.242 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.809 ' HB1' ' O ' ' A' ' 147' ' ' GLY . . . -155.12 92.67 1.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 10.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.471 ' O ' HG23 ' A' ' 7' ' ' VAL . 27.3 m -82.88 107.58 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 10.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.548 HD22 ' HA3' ' A' ' 147' ' ' GLY . 1.6 mm? -53.11 159.92 1.14 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 10.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.494 ' CB ' ' O ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER 163.93 106.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 10.0 109.274 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -156.38 -89.58 0.07 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.469 1.106 . . . . 10.0 110.976 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.907 ' HB2' HD12 ' A' ' 144' ' ' LEU . 31.7 t0 -43.23 -65.5 0.48 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 0.78 . . . . 10.0 109.257 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 170.17 -62.79 0.17 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.484 1.115 . . . . 10.0 111.03 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.456 ' O ' ' N ' ' A' ' 15' ' ' GLN . 18.1 Cg_endo -75.03 -40.64 0.83 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.478 1.778 . . . . 10.0 110.981 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.638 HG12 ' O ' ' A' ' 14' ' ' VAL . 2.2 t -53.62 90.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 10.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 13' ' ' PRO . 0.0 OUTLIER -119.82 45.29 2.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 10.0 110.278 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.492 ' N ' ' HB2' ' A' ' 8' ' ' LEU . . . -56.6 164.34 5.6 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.515 1.134 . . . . 10.0 111.02 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 55.0 mt -141.37 101.35 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.488 0.758 . . . . 10.0 109.313 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.991 HD12 ' N ' ' A' ' 19' ' ' ASN . 0.1 OUTLIER -110.62 130.79 63.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 10.0 109.331 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.991 ' N ' HD12 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -122.17 146.77 46.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 10.0 109.329 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.852 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 2.8 m-85 -113.62 134.09 54.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 10.0 110.987 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.407 ' O ' ' HA ' ' A' ' 29' ' ' VAL . 12.6 mm-40 -124.91 128.97 49.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 10.0 110.261 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.528 ' OE1' HG21 ' A' ' 2' ' ' THR . 1.3 tt0 -155.13 60.0 0.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 10.0 110.325 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.734 ' HA ' ' HB3' ' A' ' 1' ' ' ALA . 10.0 mttt -76.94 65.71 2.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 10.0 109.307 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.512 ' O ' ' CB ' ' A' ' 25' ' ' SER . 0.0 OUTLIER -152.59 -45.28 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 10.0 110.313 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.512 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 1.6 t 85.77 -14.18 0.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 10.0 110.019 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 17.4 p30 -154.79 24.18 0.45 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 10.0 109.32 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -118.74 -159.24 11.03 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.498 1.124 . . . . 10.0 111.006 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.434 ' HA ' ' O ' ' A' ' 101' ' ' ASP . 18.2 Cg_endo -75.02 166.37 29.33 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.481 1.779 . . . . 10.0 111.003 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.462 ' O ' HG23 ' A' ' 31' ' ' VAL . 13.2 t -123.47 89.51 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 10.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.5 mttt -60.53 93.32 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 10.0 109.253 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 29' ' ' VAL . 55.2 t -96.6 128.93 47.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 10.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 3.2 p90 -157.18 144.02 18.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 10.0 107.999 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -158.79 -171.63 24.86 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.501 1.126 . . . . 10.0 111.027 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.4 p -156.94 122.29 4.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 0.748 . . . . 10.0 109.979 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.691 ' HB ' ' HB3' ' A' ' 95' ' ' ALA . 1.1 mp -85.11 160.38 3.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 10.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.449 ' HG2' ' O ' ' A' ' 35' ' ' ILE . 22.1 mttt -147.37 92.87 2.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 10.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.44 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 153.4 -36.54 0.75 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.473 1.108 . . . . 10.0 110.991 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.561 ' CD2' HG22 ' A' ' 14' ' ' VAL . 0.4 OUTLIER -53.63 -168.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 0.739 . . . . 10.0 109.31 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 40' ' ' GLU . 4.8 p -144.34 131.51 20.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 10.0 110.403 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.739 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 5.3 pt-20 -37.45 110.12 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 10.0 110.341 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 153.05 161.14 10.11 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.489 1.118 . . . . 10.0 111.007 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.76 164.04 0.62 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 0.763 . . . . 10.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.401 ' N ' ' O ' ' A' ' 87' ' ' VAL . 95.6 m-70 -149.37 155.77 41.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 10.0 109.573 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.481 ' CA ' ' HB2' ' A' ' 120' ' ' HIS . . . -59.31 -152.63 0.01 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.469 1.105 . . . . 10.0 110.962 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.597 ' CE2' ' OD1' ' A' ' 86' ' ' ASN . 4.5 m-85 -107.74 161.14 15.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 0.775 . . . . 10.0 111.0 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.736 ' C ' HG23 ' A' ' 47' ' ' VAL . 0.2 OUTLIER -106.2 176.36 5.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 10.0 109.558 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.736 HG23 ' C ' ' A' ' 46' ' ' HIS . 2.6 t 84.35 126.37 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 10.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.981 ' CD2' HG21 ' A' ' 118' ' ' VAL . 0.3 OUTLIER -163.29 135.73 5.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 10.0 109.573 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.553 ' HA ' ' CG ' ' A' ' 64' ' ' PHE . 5.3 tt0 63.03 90.34 0.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 10.0 110.336 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -44.51 117.14 1.19 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 10.0 110.319 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 69.77 -77.88 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 10.0 110.298 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.606 ' OD2' ' HB2' ' A' ' 55' ' ' ALA . 4.4 t0 72.84 151.17 0.11 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 10.0 109.276 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -113.73 -10.02 13.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 10.0 109.313 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.519 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 9.6 t -155.25 -49.63 0.08 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.102 . . . . 10.0 110.419 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.606 ' HB2' ' OD2' ' A' ' 52' ' ' ASP . . . 72.18 -58.49 0.59 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 10.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 104.59 -40.01 2.62 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.524 1.14 . . . . 10.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 1.349 ' SG ' ' SG ' ' A' ' 146' ' ' CYS . 1.6 m 59.52 53.82 4.9 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.298 -1.001 . . . . 10.0 108.298 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 55.7 p -114.12 -140.37 0.38 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 10.0 110.389 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.81 92.54 2.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 10.0 110.015 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -135.43 -70.4 0.49 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 10.0 109.269 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 139.16 88.99 0.18 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.501 1.125 . . . . 10.0 110.988 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 137.41 21.67 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.536 1.808 . . . . 10.0 110.994 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -119.51 68.66 0.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 10.0 109.615 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.553 ' CG ' ' HA ' ' A' ' 49' ' ' GLU . 5.1 m-85 -113.41 46.09 1.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 10.0 110.987 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.528 ' HA ' HG12 ' A' ' 81' ' ' VAL . 2.2 p-10 -155.61 77.19 4.77 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 10.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.471 ' HD2' HG11 ' A' ' 81' ' ' VAL . 18.3 Cg_endo -74.97 -48.64 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.525 1.803 . . . . 10.0 111.031 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.676 ' HB2' HG21 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -52.71 -40.76 63.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 10.0 109.296 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.445 ' O ' ' HB2' ' A' ' 69' ' ' ARG . 27.5 t -61.4 -27.83 68.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 10.0 109.974 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.526 ' O ' ' CG ' ' A' ' 70' ' ' LYS . 20.3 mtp180 68.74 -62.58 0.38 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 10.0 110.296 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.526 ' CG ' ' O ' ' A' ' 69' ' ' ARG . 3.6 mttt 177.83 -98.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 10.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.43 ' CD2' ' C ' ' A' ' 71' ' ' HIS . 2.1 t60 -49.56 121.62 5.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 10.0 109.602 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -173.55 147.45 9.51 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.528 1.142 . . . . 10.0 110.99 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.45 ' O ' ' NH2' ' A' ' 79' ' ' ARG . . . 145.77 -95.28 0.17 Allowed Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.971 -0.852 . . . . 10.0 110.971 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -59.2 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.515 1.797 . . . . 10.0 110.989 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.9 mtpt -62.84 -26.82 68.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 10.0 109.281 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.453 ' OD1' ' NH2' ' A' ' 79' ' ' ARG . 0.0 OUTLIER 49.73 89.72 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.135 . . . . 10.0 109.287 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -115.53 -18.33 10.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 10.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.459 ' HG3' ' CG ' ' A' ' 69' ' ' ARG . 64.3 mm-40 -154.25 -91.58 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.486 1.116 . . . . 10.0 110.278 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.49 ' O ' ' CB ' ' A' ' 80' ' ' HIS . 0.6 OUTLIER 38.93 -158.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 10.0 110.295 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.49 ' CB ' ' O ' ' A' ' 79' ' ' ARG . 1.2 t-160 87.58 -8.68 0.59 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 10.0 109.562 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.676 HG21 ' HB2' ' A' ' 67' ' ' LEU . 4.5 t -139.83 90.68 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 10.0 109.256 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 101.71 -77.24 0.36 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.468 1.105 . . . . 10.0 110.999 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -50.05 160.9 0.3 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 0.775 . . . . 10.0 109.306 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.514 HD13 ' N ' ' A' ' 85' ' ' GLY . 3.3 tm? -142.85 -82.96 0.18 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.514 1.134 . . . . 10.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.514 ' N ' HD13 ' A' ' 84' ' ' LEU . . . -163.21 171.79 39.03 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.507 1.129 . . . . 10.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.597 ' OD1' ' CE2' ' A' ' 45' ' ' PHE . 48.8 m-20 -92.64 129.83 38.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 0.753 . . . . 10.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.741 HG21 HG12 ' A' ' 119' ' ' VAL . 14.0 m -98.24 169.41 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 10.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 3.8 m -139.1 148.05 42.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 10.0 110.376 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.739 ' HB3' ' HA ' ' A' ' 40' ' ' GLU . . . -84.63 170.68 13.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 10.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.455 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 13.3 t0 -74.11 -97.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 10.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.455 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 37.3 pttt -136.83 8.12 3.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 10.0 109.322 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -156.06 24.4 0.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 10.0 109.337 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.591 ' CA ' ' HB1' ' A' ' 89' ' ' ALA . . . 98.89 -43.88 1.79 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.494 1.121 . . . . 10.0 110.994 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.461 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 32.1 t -39.41 103.24 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.485 0.756 . . . . 10.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.691 ' HB3' ' HB ' ' A' ' 35' ' ' ILE . . . -98.55 112.63 24.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 10.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -96.21 148.33 22.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 10.0 109.339 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 21.6 t -120.1 149.99 22.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 10.0 109.262 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 42.2 p -168.34 95.59 0.39 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.457 1.098 . . . . 10.0 109.972 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -139.33 119.49 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 10.0 109.359 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -112.51 81.97 1.57 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 10.0 110.325 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.434 ' O ' ' HA ' ' A' ' 28' ' ' PRO . 1.0 OUTLIER -91.32 152.74 20.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.412 1.07 . . . . 10.0 109.262 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 24.6 p -131.9 65.1 1.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 10.0 110.012 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 80.5 t -150.89 -46.71 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.096 . . . . 10.0 109.327 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.654 HG13 HG21 ' A' ' 112' ' ' ILE . 0.2 OUTLIER -68.28 177.51 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 10.0 109.313 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.7 m -167.41 119.6 0.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 10.0 109.99 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.667 ' HG ' HD11 ' A' ' 112' ' ' ILE . 3.2 mp -49.79 -37.27 29.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 10.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.3 m -125.55 140.65 52.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 10.0 109.994 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 132.54 -89.71 0.27 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.499 1.124 . . . . 10.0 110.95 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -138.47 -47.33 0.51 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 0.78 . . . . 10.0 109.275 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 3.2 m80 -85.4 55.84 3.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 10.0 109.608 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 96.2 p -60.5 111.48 1.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 10.0 109.984 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.667 HD11 ' HG ' ' A' ' 106' ' ' LEU . 8.6 pt -84.74 -21.88 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 10.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 3.7 mt -58.68 141.39 15.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.54 1.15 . . . . 10.0 109.25 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 112.26 -7.39 26.83 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.511 1.132 . . . . 10.0 111.03 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.905 ' O ' HD12 ' A' ' 149' ' ' ILE . 11.5 mmt180 -87.02 164.98 16.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 0.776 . . . . 10.0 110.275 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.86 HG23 HG23 ' A' ' 118' ' ' VAL . 2.2 t -153.94 126.62 8.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 10.0 110.418 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.865 HD12 HG13 ' A' ' 119' ' ' VAL . 0.1 OUTLIER -72.7 74.12 1.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 10.0 109.278 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.981 HG21 ' CD2' ' A' ' 48' ' ' HIS . 19.6 t -84.13 70.84 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 10.0 109.304 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.865 HG13 HD12 ' A' ' 117' ' ' LEU . 1.2 m -50.05 133.98 9.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 10.0 109.344 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.527 ' CE1' ' CA ' ' A' ' 141' ' ' GLY . 4.0 m170 -84.48 134.96 34.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 10.0 109.581 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -46.4 -64.75 0.68 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 10.0 110.33 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 3.7 mttt -100.98 -178.27 3.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 10.0 109.339 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -89.76 -178.26 5.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 10.0 109.295 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.433 ' OD2' ' CE1' ' A' ' 45' ' ' PHE . 1.4 m-20 -133.86 95.85 3.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 10.0 109.267 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.26 -21.27 5.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 10.0 109.337 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.567 HD11 ' HZ ' ' A' ' 45' ' ' PHE . 7.6 mt 61.36 19.3 10.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 10.0 109.338 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 178.61 91.97 0.08 OUTLIER Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.505 1.128 . . . . 10.0 111.006 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -121.3 -42.79 2.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 0.743 . . . . 10.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -178.68 36.63 0.08 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.448 1.093 . . . . 10.0 111.004 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 41.7 92.21 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.033 -0.827 . . . . 10.0 111.033 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' ASN . . . . . 0.615 ' C ' HG23 ' A' ' 135' ' ' THR . 2.4 t30 -141.51 148.43 39.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 0.753 . . . . 10.0 109.275 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 131' ' ' ASN . 0.9 OUTLIER -37.81 -29.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 10.0 110.259 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 133' ' ' GLN . . . . . 0.478 ' N ' ' O ' ' A' ' 131' ' ' ASN . 0.0 OUTLIER -91.71 -43.47 9.56 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.554 1.159 . . . . 10.0 110.313 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 134' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 131' ' ' ASN . 0.0 OUTLIER -70.7 -50.73 33.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 10.0 110.039 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 135' ' ' THR . . . . . 0.615 HG23 ' C ' ' A' ' 131' ' ' ASN . 41.0 p -35.6 -36.27 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 10.0 110.423 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 134' ' ' SER . 32.3 pttt -101.9 -41.43 6.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 10.0 109.29 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 137' ' ' THR . . . . . 0.428 ' C ' ' HA ' ' A' ' 134' ' ' SER . 61.9 p -133.68 -106.61 0.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 10.0 110.409 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 138' ' ' GLY . . . . . 0.434 ' CA ' ' HA ' ' A' ' 134' ' ' SER . . . -144.82 -66.41 0.02 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.513 1.133 . . . . 10.0 110.977 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 10.1 p-10 169.84 42.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 0.792 . . . . 10.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 142' ' ' SER . . . -146.12 -52.47 0.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 10.0 109.29 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 141' ' ' GLY . . . . . 0.527 ' CA ' ' CE1' ' A' ' 120' ' ' HIS . . . -40.57 94.75 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.512 1.133 . . . . 10.0 110.976 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 142' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 140' ' ' ALA . 0.4 OUTLIER -127.68 11.79 6.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 0.729 . . . . 10.0 109.999 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 143' ' ' ARG . . . . . 0.711 ' O ' HD22 ' A' ' 144' ' ' LEU . 2.1 mpt_? 62.02 138.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 10.0 110.331 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.907 HD12 ' HB2' ' A' ' 11' ' ' ASP . 1.8 mm? -127.97 -96.79 0.4 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 10.0 109.345 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 145' ' ' ALA . . . . . 0.907 ' O ' HG13 ' A' ' 118' ' ' VAL . . . -64.99 175.1 1.65 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.103 . . . . 10.0 109.323 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 146' ' ' CYS . . . . . 1.349 ' SG ' ' SG ' ' A' ' 57' ' ' CYS . 0.8 OUTLIER -154.32 69.74 0.78 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 10.0 108.273 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 147' ' ' GLY . . . . . 0.809 ' O ' ' HB1' ' A' ' 6' ' ' ALA . . . -79.3 68.3 3.16 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.496 1.123 . . . . 10.0 111.009 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.473 ' CG2' ' HB ' ' A' ' 116' ' ' THR . 2.3 t -59.1 127.11 17.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.491 0.759 . . . . 10.0 109.348 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 149' ' ' ILE . . . . . 0.905 HD12 ' O ' ' A' ' 115' ' ' ARG . 1.0 OUTLIER -81.22 123.64 37.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 10.0 109.291 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -140.75 139.37 9.61 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.515 1.135 . . . . 10.0 111.02 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 151' ' ' ILE . . . . . 0.549 ' CD1' HG23 ' A' ' 2' ' ' THR . 13.8 mm -46.46 145.05 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.543 0.79 . . . . 10.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -136.42 172.14 13.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 10.0 109.294 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 10.0 110.267 -179.968 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.316 -0.624 . . . . 10.0 109.316 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.884 HG22 HD12 ' A' ' 151' ' ' ILE . 1.4 m -91.66 124.54 35.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 10.0 110.405 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -99.92 128.65 45.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 10.0 109.344 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.83 ' HB3' ' HB2' ' A' ' 20' ' ' PHE . . . -107.88 162.08 14.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 10.0 109.337 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.785 HG22 ' HB2' ' A' ' 152' ' ' ALA . 0.0 OUTLIER -140.12 141.91 32.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 10.0 109.306 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.82 ' HB3' HG23 ' A' ' 18' ' ' ILE . . . -137.07 106.63 6.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 10.0 109.266 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.488 ' O ' HG23 ' A' ' 7' ' ' VAL . 19.5 m -82.48 90.35 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 10.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.783 HD22 ' HA3' ' A' ' 147' ' ' GLY . 1.5 mm? -37.79 135.43 0.63 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.578 1.174 . . . . 10.0 109.345 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.27 -54.57 6.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 10.0 109.268 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.407 ' HA3' ' O ' ' A' ' 14' ' ' VAL . . . 76.9 120.29 0.18 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.44 1.088 . . . . 10.0 111.029 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -57.8 -20.9 38.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 0.763 . . . . 10.0 109.259 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -176.43 -67.34 0.06 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.49 1.118 . . . . 10.0 111.035 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.435 ' HB2' ' CA ' ' A' ' 37' ' ' GLY . 18.4 Cg_endo -74.97 -60.97 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.487 1.782 . . . . 10.0 111.038 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.71 HG11 ' HB2' ' A' ' 145' ' ' ALA . 21.8 t -38.73 145.11 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.47 1.106 . . . . 10.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 171.85 65.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 10.0 110.328 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.478 ' C ' ' CG1' ' A' ' 17' ' ' ILE . . . -107.46 -153.0 18.27 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.434 1.084 . . . . 10.0 110.986 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.478 ' CG1' ' C ' ' A' ' 16' ' ' GLY . 1.0 OUTLIER -153.25 126.13 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 0.768 . . . . 10.0 109.307 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.898 HG21 HD13 ' A' ' 117' ' ' LEU . 0.0 OUTLIER -123.26 126.52 73.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.15 . . . . 10.0 109.276 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.441 ' HA ' ' O ' ' A' ' 4' ' ' ALA . 0.1 OUTLIER -111.04 158.11 19.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 10.0 109.337 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.83 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 1.7 m-85 -130.88 91.14 3.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 10.0 111.02 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 30' ' ' LYS . 16.6 tt0 -105.81 141.77 36.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 10.0 110.286 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.449 ' HB2' HG13 ' A' ' 29' ' ' VAL . 0.1 OUTLIER -131.95 59.55 1.7 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 10.0 110.283 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.96 63.54 0.48 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 10.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -144.25 169.77 17.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 10.0 110.307 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.1 m -71.28 56.75 0.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 10.0 109.996 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 65.27 26.05 12.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 10.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -84.05 -138.39 3.75 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.505 1.128 . . . . 10.0 110.992 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.4 ' HA ' ' HA ' ' A' ' 102' ' ' SER . 18.2 Cg_endo -74.97 151.34 39.55 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.472 1.775 . . . . 10.0 110.99 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.739 ' HB ' HD11 ' A' ' 104' ' ' ILE . 41.8 t -92.59 133.7 33.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 10.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 21' ' ' GLU . 6.7 mttt -77.85 95.51 4.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 10.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.806 HG22 ' CE2' ' A' ' 20' ' ' PHE . 89.7 t -89.53 119.82 37.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 10.0 109.33 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -159.02 148.52 18.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 10.0 108.044 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.443 ' HA3' ' HA ' ' A' ' 18' ' ' ILE . . . -173.95 -159.49 20.48 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.521 1.138 . . . . 10.0 110.969 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.422 ' O ' ' HA3' ' A' ' 16' ' ' GLY . 0.1 OUTLIER -152.93 150.71 29.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 0.786 . . . . 10.0 109.998 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.951 HG21 HG11 ' A' ' 119' ' ' VAL . 1.2 mt -143.83 99.83 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 10.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.908 ' CB ' HG22 ' A' ' 94' ' ' VAL . 3.5 ptpt -105.13 120.29 41.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 10.0 109.313 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.435 ' CA ' ' HB2' ' A' ' 13' ' ' PRO . . . 164.32 -39.66 0.31 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.47 1.106 . . . . 10.0 110.998 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.64 HD11 HG21 ' A' ' 119' ' ' VAL . 3.4 mp -68.76 -130.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 0.773 . . . . 10.0 109.252 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.613 HG23 ' O ' ' A' ' 38' ' ' LEU . 3.0 p -157.55 141.19 15.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 10.0 110.405 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.881 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -40.24 110.17 0.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 10.0 110.304 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 168.95 -176.06 43.22 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.522 1.139 . . . . 10.0 110.992 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.636 HD23 HD11 ' A' ' 126' ' ' LEU . 9.5 mp -77.7 152.17 33.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.551 0.795 . . . . 10.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.501 ' HB2' HG23 ' A' ' 87' ' ' VAL . 23.1 m-70 -148.47 146.9 28.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 10.0 109.599 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -60.39 -161.91 0.11 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.485 1.115 . . . . 10.0 111.045 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -105.73 167.68 9.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 0.768 . . . . 10.0 111.039 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.489 ' CB ' ' HG ' ' A' ' 117' ' ' LEU . 7.2 p80 -99.27 77.89 2.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 10.0 109.588 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 4.7 t -149.81 134.11 9.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 10.0 109.285 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -168.42 129.89 1.33 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 10.0 109.592 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 44.37 77.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.1 . . . . 10.0 110.292 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -60.91 126.97 29.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 10.0 110.266 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 64.95 150.82 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 10.0 110.352 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 177.53 146.87 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 10.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -133.92 57.29 1.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 10.0 109.268 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.594 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 0.7 OUTLIER -154.16 -46.26 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 10.0 110.399 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.594 ' HB2' ' O ' ' A' ' 54' ' ' THR . . . 170.49 118.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 10.0 109.28 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -99.98 -47.61 1.72 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.527 1.142 . . . . 10.0 110.973 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 1.165 ' SG ' ' SG ' ' A' ' 146' ' ' CYS . 0.1 OUTLIER -87.52 53.28 2.74 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.289 -1.004 . . . . 10.0 108.289 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -117.44 -33.08 4.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 10.0 110.381 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 84.3 p 43.89 78.93 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 10.0 109.995 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -148.39 19.05 1.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 10.0 109.265 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 137.28 92.92 0.31 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.438 1.086 . . . . 10.0 111.059 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.432 ' HB2' ' CE2' ' A' ' 64' ' ' PHE . 18.2 Cg_endo -75.03 128.55 11.55 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.453 1.765 . . . . 10.0 111.016 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -106.42 55.02 0.67 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 10.0 109.578 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.432 ' CE2' ' HB2' ' A' ' 62' ' ' PRO . 54.9 m-85 -37.64 154.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 10.0 111.014 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.716 ' OD1' HD13 ' A' ' 67' ' ' LEU . 4.7 t-20 -85.83 141.86 36.23 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 10.0 109.29 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 55.97 4.11 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.494 1.786 . . . . 10.0 110.966 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.716 HD13 ' OD1' ' A' ' 65' ' ' ASN . 1.6 mp -116.51 -42.25 3.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 10.0 109.299 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.472 ' O ' ' HB2' ' A' ' 69' ' ' ARG . 0.5 OUTLIER -44.89 -27.11 0.49 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 10.0 110.011 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.472 ' HB2' ' O ' ' A' ' 68' ' ' SER . 16.6 mtt180 67.97 -63.11 0.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 10.0 110.257 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 68' ' ' SER . 3.9 mttt 177.58 -178.58 0.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 10.0 109.346 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.409 ' HA ' ' CZ ' ' A' ' 79' ' ' ARG . 1.4 t-80 -47.2 140.22 5.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 10.0 109.592 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.494 ' H ' ' NE ' ' A' ' 79' ' ' ARG . . . -162.95 -143.31 3.65 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.505 1.128 . . . . 10.0 110.993 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -148.97 -131.39 1.99 Allowed Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.982 -0.847 . . . . 10.0 110.982 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -32.17 5.62 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.418 1.746 . . . . 10.0 111.02 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -173.58 105.78 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 10.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -178.44 -37.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 10.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.525 ' O ' ' CB ' ' A' ' 78' ' ' GLU . 1.2 tp10 -123.85 10.59 8.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 10.0 110.306 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.525 ' CB ' ' O ' ' A' ' 77' ' ' GLU . 2.5 tm-20 88.24 -72.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 10.0 110.318 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.494 ' NE ' ' H ' ' A' ' 72' ' ' GLY . 0.0 OUTLIER 39.72 88.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 10.0 110.317 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.649 ' HA ' HD12 ' A' ' 84' ' ' LEU . 0.9 OUTLIER -148.39 27.83 0.91 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 10.0 109.621 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.58 HG21 ' HB3' ' A' ' 65' ' ' ASN . 24.1 t -140.79 -71.77 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 10.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -62.42 -45.37 96.04 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.54 1.15 . . . . 10.0 110.983 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.408 ' OD1' ' CZ ' ' A' ' 79' ' ' ARG . 0.0 OUTLIER -151.67 -167.64 2.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 0.756 . . . . 10.0 109.333 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.649 HD12 ' HA ' ' A' ' 80' ' ' HIS . 1.0 OUTLIER -171.01 -59.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 10.0 109.31 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.42 ' C ' ' OD1' ' A' ' 86' ' ' ASN . . . -122.05 -162.58 11.64 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.528 1.142 . . . . 10.0 110.983 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.42 ' OD1' ' C ' ' A' ' 85' ' ' GLY . 2.5 m-20 -140.02 132.5 28.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 0.759 . . . . 10.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.501 HG23 ' HB2' ' A' ' 43' ' ' HIS . 14.4 m -108.16 135.55 46.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 10.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 98.8 m -107.8 144.59 34.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 10.0 110.344 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.881 ' HB3' ' HA ' ' A' ' 40' ' ' GLU . . . -84.99 168.19 15.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 10.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.441 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 9.0 t0 -83.13 -95.48 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 10.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.441 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 15.2 pttt -138.15 12.42 2.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 10.0 109.319 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -153.54 24.33 0.52 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.455 1.097 . . . . 10.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.544 ' CA ' ' HB1' ' A' ' 89' ' ' ALA . . . 87.26 -17.17 44.48 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.45 1.094 . . . . 10.0 110.973 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.908 HG22 ' CB ' ' A' ' 36' ' ' LYS . 21.3 t -53.63 90.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 0.768 . . . . 10.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 93' ' ' GLY . . . -95.25 119.6 34.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.163 . . . . 10.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.406 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 1.5 p30 -113.2 151.13 31.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 10.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.71 ' CG1' HD12 ' A' ' 99' ' ' ILE . 21.5 t -118.96 170.95 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 10.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.536 ' N ' HG12 ' A' ' 97' ' ' VAL . 52.8 p -176.97 83.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.574 1.171 . . . . 10.0 109.974 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.71 HD12 ' CG1' ' A' ' 97' ' ' VAL . 2.9 mt -135.93 167.67 24.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 10.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.532 ' N ' HG22 ' A' ' 99' ' ' ILE . 0.3 OUTLIER -123.59 95.8 4.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 10.0 110.316 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.444 ' HB2' ' CG1' ' A' ' 104' ' ' ILE . 8.2 m-20 -85.76 134.03 33.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 10.0 109.263 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.4 ' HA ' ' HA ' ' A' ' 28' ' ' PRO . 9.3 p -110.01 -21.76 12.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 10.0 110.03 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 50.9 t -72.8 -7.72 10.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 10.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.892 HD13 HG21 ' A' ' 112' ' ' ILE . 2.3 pp -118.48 166.46 12.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 10.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.745 ' O ' HG23 ' A' ' 112' ' ' ILE . 8.2 t -160.39 162.82 33.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 10.0 110.008 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.977 HD12 HD11 ' A' ' 151' ' ' ILE . 2.2 mm? -71.82 -42.17 67.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 10.0 109.327 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -144.04 159.61 42.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 10.0 109.984 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 130.77 -100.33 0.46 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.486 1.116 . . . . 10.0 110.98 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.91 -43.59 2.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 0.781 . . . . 10.0 109.342 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 22.5 m80 -104.11 66.92 0.84 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 10.0 109.599 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 82.6 p -66.22 137.0 56.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 10.0 110.014 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.892 HG21 HD13 ' A' ' 104' ' ' ILE . 2.1 pp -85.15 -17.4 9.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 10.0 109.298 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.486 HD11 HG12 ' A' ' 151' ' ' ILE . 9.6 mm -67.58 107.98 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 10.0 109.272 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 123.48 -0.58 9.48 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.453 1.096 . . . . 10.0 110.995 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 9.7 mmm180 -84.92 67.25 10.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 0.781 . . . . 10.0 110.27 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.587 HG22 ' O ' ' A' ' 116' ' ' THR . 0.3 OUTLIER -39.35 104.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 10.0 110.405 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.898 HD13 HG21 ' A' ' 18' ' ' ILE . 5.1 tt -78.81 116.46 19.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 10.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.427 ' HB ' ' O ' ' A' ' 145' ' ' ALA . 0.9 OUTLIER -135.71 128.31 46.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 10.0 109.302 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.951 HG11 HG21 ' A' ' 35' ' ' ILE . 4.9 m -75.53 150.39 6.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 10.0 109.356 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.546 ' CG ' ' OD2' ' A' ' 124' ' ' ASP . 2.5 m-70 -84.56 127.67 34.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 10.0 109.656 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -38.46 -52.84 1.57 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 10.0 110.341 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.462 ' HB3' ' CB ' ' A' ' 140' ' ' ALA . 6.8 tmtt? -139.73 161.8 36.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 10.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -47.4 142.7 3.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 10.0 109.273 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.546 ' OD2' ' CG ' ' A' ' 120' ' ' HIS . 0.6 OUTLIER -153.38 87.31 1.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 10.0 109.301 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 126' ' ' LEU . 0.1 OUTLIER 177.02 -39.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 10.0 109.262 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.636 HD11 HD23 ' A' ' 42' ' ' LEU . 0.3 OUTLIER -39.13 -54.4 1.75 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 10.0 109.271 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 110.12 63.13 0.52 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.472 1.108 . . . . 10.0 111.038 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.422 ' HE2' ' ND2' ' A' ' 139' ' ' ASN . 2.8 pttp -54.31 -20.43 7.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 0.752 . . . . 10.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 155.67 -23.3 0.55 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.523 1.14 . . . . 10.0 110.983 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' GLY . . . . . 0.463 ' HA2' ' CB ' ' A' ' 134' ' ' SER . . . 57.85 96.68 0.01 OUTLIER Glycine 0 CA--C 1.531 1.036 0 N-CA-C 111.008 -0.837 . . . . 10.0 111.008 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' ASN . . . . . 0.462 ' O ' ' N ' ' A' ' 133' ' ' GLN . 38.6 m-80 -155.44 104.8 2.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 0.792 . . . . 10.0 109.339 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.482 ' O ' ' NE2' ' A' ' 133' ' ' GLN . 1.6 mp0 37.26 31.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 10.0 110.289 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' GLN . . . . . 0.482 ' NE2' ' O ' ' A' ' 132' ' ' GLU . 0.0 OUTLIER -160.9 -61.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 10.0 110.281 -179.939 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 134' ' ' SER . . . . . 0.463 ' CB ' ' HA2' ' A' ' 130' ' ' GLY . 1.6 m -91.3 -21.21 21.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 10.0 110.039 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 135' ' ' THR . . . . . 0.454 ' N ' ' HA2' ' A' ' 130' ' ' GLY . 6.6 t -65.27 -23.99 67.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 10.0 110.382 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 7.9 mttt -107.48 -32.9 7.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 10.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' THR . . . . . 0.439 ' O ' ' NH2' ' A' ' 79' ' ' ARG . 81.3 p -137.34 -100.5 0.19 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 10.0 110.408 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 138' ' ' GLY . . . . . 0.481 ' HA3' ' CB ' ' A' ' 124' ' ' ASP . . . -174.71 43.89 0.13 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.523 1.139 . . . . 10.0 111.008 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 139' ' ' ASN . . . . . 0.422 ' ND2' ' HE2' ' A' ' 128' ' ' LYS . 54.3 t30 43.03 30.16 0.24 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 0.765 . . . . 10.0 109.309 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.462 ' CB ' ' HB3' ' A' ' 122' ' ' LYS . . . -159.53 42.31 0.22 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 10.0 109.287 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 141' ' ' GLY . . . . . 0.458 ' HA2' ' CE1' ' A' ' 120' ' ' HIS . . . -107.27 104.24 2.1 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.553 1.158 . . . . 10.0 111.005 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 1.8 t -162.31 94.6 0.9 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 0.774 . . . . 10.0 110.005 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.19 128.81 6.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 10.0 110.25 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.1 mp -120.51 -67.75 0.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 10.0 109.301 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' ALA . . . . . 0.71 ' HB2' HG11 ' A' ' 14' ' ' VAL . . . -77.42 175.64 9.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 10.0 109.265 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 146' ' ' CYS . . . . . 1.165 ' SG ' ' SG ' ' A' ' 57' ' ' CYS . 2.1 t -157.77 72.83 0.67 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 10.0 108.32 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 147' ' ' GLY . . . . . 0.783 ' HA3' HD22 ' A' ' 8' ' ' LEU . . . -89.48 69.74 2.49 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.521 1.138 . . . . 10.0 110.969 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.522 HG23 ' OG1' ' A' ' 116' ' ' THR . 2.7 t -57.86 118.36 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.517 0.775 . . . . 10.0 109.262 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 149' ' ' ILE . . . . . 0.674 HG21 ' CD1' ' A' ' 20' ' ' PHE . 2.2 mp -70.88 133.7 31.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 10.0 109.272 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -148.88 130.42 3.38 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.492 1.12 . . . . 10.0 110.972 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 151' ' ' ILE . . . . . 0.977 HD11 HD12 ' A' ' 106' ' ' LEU . 22.7 mm -42.95 155.92 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.521 0.777 . . . . 10.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 152' ' ' ALA . . . . . 0.785 ' HB2' HG22 ' A' ' 5' ' ' VAL . . . -113.34 175.94 5.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 10.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 10.0 110.298 -179.996 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 22' ' ' GLN . . . . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.249 -0.648 . . . . 10.0 109.249 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.724 HG21 HG23 ' A' ' 151' ' ' ILE . 82.4 m -112.88 173.95 6.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 10.0 110.405 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.501 ' H ' HG22 ' A' ' 2' ' ' THR . 5.9 tmtt? -112.83 94.83 5.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 10.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.599 ' HB1' HG23 ' A' ' 149' ' ' ILE . . . -84.4 154.92 22.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 10.0 109.273 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.615 HG23 ' CB ' ' A' ' 152' ' ' ALA . 11.1 t -131.06 155.68 42.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 10.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.738 ' HB1' ' O ' ' A' ' 147' ' ' GLY . . . -155.47 89.14 1.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 10.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.439 ' O ' HG13 ' A' ' 7' ' ' VAL . 7.4 p -84.31 108.79 16.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 10.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.55 HD22 ' HA3' ' A' ' 147' ' ' GLY . 0.2 OUTLIER -54.89 137.57 45.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 10.0 109.304 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.2 tttt -173.29 116.46 0.27 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 10.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -172.3 -84.43 0.06 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.527 1.142 . . . . 10.0 111.001 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -42.46 -41.98 3.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.438 0.728 . . . . 10.0 109.301 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 132.27 -58.85 0.69 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.468 1.105 . . . . 10.0 111.012 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -32.63 5.21 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.477 1.777 . . . . 10.0 110.973 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.47 HG12 ' O ' ' A' ' 14' ' ' VAL . 2.5 t -71.34 99.02 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 10.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -122.26 41.63 3.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 10.0 110.289 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.469 ' CA ' ' HA ' ' A' ' 35' ' ' ILE . . . -56.71 163.41 6.26 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.526 1.141 . . . . 10.0 111.026 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.439 HG12 HG23 ' A' ' 7' ' ' VAL . 59.2 mt -139.15 101.09 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.499 0.764 . . . . 10.0 109.261 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.768 HD11 ' CE1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -125.45 136.7 60.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.543 1.152 . . . . 10.0 109.31 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.41 ' ND2' HG13 ' A' ' 5' ' ' VAL . 0.1 OUTLIER -123.61 169.71 11.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 10.0 109.309 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.768 ' CE1' HD11 ' A' ' 18' ' ' ILE . 4.2 m-85 -138.39 98.5 3.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.418 1.074 . . . . 10.0 110.973 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 30' ' ' LYS . 44.9 tt0 -117.5 135.86 53.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 10.0 110.341 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.679 ' HB2' HG22 ' A' ' 29' ' ' VAL . 3.6 tt0 -137.22 59.38 1.68 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 10.0 110.278 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -76.47 66.15 2.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 10.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.507 ' O ' ' CB ' ' A' ' 25' ' ' SER . 20.7 mm-40 -127.92 -53.18 1.32 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.142 . . . . 10.0 110.287 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.507 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 0.7 OUTLIER 85.69 -16.93 0.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 10.0 110.03 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 51.5 p30 -154.48 23.64 0.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 10.0 109.279 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -133.52 -175.9 14.15 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.464 1.103 . . . . 10.0 111.013 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.442 ' HA ' ' HA ' ' A' ' 102' ' ' SER . 18.3 Cg_endo -75.0 170.07 21.23 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.503 1.791 . . . . 10.0 111.003 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.679 HG22 ' HB2' ' A' ' 22' ' ' GLN . 84.1 t -93.84 130.39 42.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 10.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 21' ' ' GLU . 8.2 mttt -75.72 98.0 3.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 10.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.626 HG22 ' CE2' ' A' ' 20' ' ' PHE . 95.1 t -101.8 115.41 43.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 10.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.416 ' HA ' ' O ' ' A' ' 97' ' ' VAL . 1.2 p90 -152.08 155.15 37.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 10.0 107.999 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.43 ' O ' ' HA ' ' A' ' 96' ' ' ASP . . . -176.84 -173.92 42.84 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.456 1.097 . . . . 10.0 110.952 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 59.8 p -156.7 120.3 4.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 0.779 . . . . 10.0 110.036 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.665 HG21 HD13 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -83.25 163.83 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 10.0 109.252 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.504 ' CG ' ' O ' ' A' ' 35' ' ' ILE . 8.0 mttt -157.32 106.33 2.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 10.0 109.277 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 144.81 -45.31 0.85 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.525 1.141 . . . . 10.0 110.98 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.84 HD11 HG11 ' A' ' 119' ' ' VAL . 0.5 OUTLIER -53.06 -171.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 0.776 . . . . 10.0 109.303 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.524 ' O ' ' CE1' ' A' ' 43' ' ' HIS . 1.9 p -132.01 134.61 45.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 10.0 110.413 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.861 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 15.2 pt-20 -37.57 123.01 0.97 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 10.0 110.291 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 147.27 -157.91 27.55 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.474 1.109 . . . . 10.0 111.031 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.785 HD23 ' ND2' ' A' ' 86' ' ' ASN . 9.5 mp -77.19 147.41 36.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 0.786 . . . . 10.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.642 ' CG ' HD22 ' A' ' 38' ' ' LEU . 55.6 m-70 -147.15 114.61 6.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 10.0 109.581 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.443 ' CA ' ' HB2' ' A' ' 120' ' ' HIS . . . -54.52 148.68 20.92 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.471 1.107 . . . . 10.0 111.002 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -118.01 109.33 16.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 0.773 . . . . 10.0 111.026 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.665 ' O ' HG23 ' A' ' 47' ' ' VAL . 54.7 m170 -90.35 173.22 8.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 10.0 109.601 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.665 HG23 ' O ' ' A' ' 46' ' ' HIS . 32.4 t -159.44 76.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 10.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.5 ' CG ' ' HB ' ' A' ' 116' ' ' THR . 0.1 OUTLIER -40.75 149.25 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.553 1.158 . . . . 10.0 109.57 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -83.08 99.62 9.98 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 10.0 110.337 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -39.48 102.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 10.0 110.287 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -156.05 -161.86 1.2 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.526 1.141 . . . . 10.0 110.304 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.72 98.1 0.5 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 10.0 109.257 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -140.17 66.33 1.39 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 10.0 109.304 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.58 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 0.3 OUTLIER -121.24 117.52 27.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 10.0 110.38 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.58 ' HB2' ' O ' ' A' ' 54' ' ' THR . . . 170.54 -62.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 10.0 109.268 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 155.49 64.21 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.529 1.143 . . . . 10.0 111.022 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 2.8 m 43.28 85.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.344 -0.984 . . . . 10.0 108.344 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -90.74 -42.39 10.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 10.0 110.38 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.4 m 50.83 96.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 10.0 109.996 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -122.63 -61.07 1.49 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.53 1.144 . . . . 10.0 109.271 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -137.45 81.33 0.28 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.462 1.101 . . . . 10.0 111.022 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -172.77 1.35 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.503 1.791 . . . . 10.0 111.047 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -154.54 -46.81 0.09 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.114 . . . . 10.0 109.564 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 47.46 50.0 15.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 10.0 111.008 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.472 ' N ' ' HD3' ' A' ' 66' ' ' PRO . 54.3 t30 -136.3 61.77 40.6 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 10.0 109.26 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.499 ' O ' ' CB ' ' A' ' 67' ' ' LEU . 18.4 Cg_endo -75.05 56.58 4.33 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.519 1.799 . . . . 10.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.594 ' HB3' HG11 ' A' ' 81' ' ' VAL . 0.3 OUTLIER 87.82 -17.94 0.29 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 10.0 109.314 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.532 ' C ' ' H ' ' A' ' 70' ' ' LYS . 96.1 p -54.22 -29.18 45.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 10.0 110.019 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.511 ' HB2' ' O ' ' A' ' 68' ' ' SER . 0.1 OUTLIER 74.54 -33.47 0.25 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 10.0 110.298 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.532 ' H ' ' C ' ' A' ' 68' ' ' SER . 32.6 mtmt 69.19 -178.19 0.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 10.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 8.8 m80 68.18 29.92 5.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 10.0 109.62 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -111.72 -160.79 16.16 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.467 1.104 . . . . 10.0 110.987 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 98.41 -104.64 2.97 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.039 -0.824 . . . . 10.0 111.039 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 52.76 3.15 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.495 1.787 . . . . 10.0 110.993 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.22 -37.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.447 1.092 . . . . 10.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 69.87 92.11 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 10.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.478 ' O ' ' CB ' ' A' ' 78' ' ' GLU . 6.0 tp10 -114.27 -17.53 11.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 10.0 110.294 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.516 ' CG ' ' N ' ' A' ' 79' ' ' ARG . 2.8 tt0 162.46 -87.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 10.0 110.28 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.516 ' N ' ' CG ' ' A' ' 78' ' ' GLU . 2.1 ptt85 41.49 -163.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 10.0 110.336 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.417 ' CB ' ' O ' ' A' ' 79' ' ' ARG . 2.9 t-160 81.32 11.74 0.78 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 10.0 109.645 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.594 HG11 ' HB3' ' A' ' 67' ' ' LEU . 1.3 t -126.62 5.78 3.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 10.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -177.94 -59.74 0.07 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.504 1.127 . . . . 10.0 111.039 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.95 142.18 38.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 0.734 . . . . 10.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -133.09 14.97 4.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 10.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 82.54 -99.21 2.06 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.501 1.126 . . . . 10.0 110.974 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.785 ' ND2' HD23 ' A' ' 42' ' ' LEU . 21.5 p30 -151.48 152.24 32.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 0.788 . . . . 10.0 109.345 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.571 HG23 ' N ' ' A' ' 88' ' ' THR . 9.8 m -99.64 -147.17 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 10.0 109.28 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.571 ' N ' HG23 ' A' ' 87' ' ' VAL . 42.6 m -155.35 128.86 8.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 10.0 110.397 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.861 ' HB3' ' HA ' ' A' ' 40' ' ' GLU . . . -84.2 175.37 9.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 10.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.449 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 13.2 t0 -80.85 -97.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 10.0 109.342 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.449 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 9.7 pttt -138.05 10.7 2.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 10.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -154.26 23.56 0.48 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 10.0 109.237 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.471 ' CA ' ' HB1' ' A' ' 89' ' ' ALA . . . 90.47 -32.04 5.19 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.508 1.13 . . . . 10.0 111.025 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.51 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 21.1 t -41.77 103.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.49 0.759 . . . . 10.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.441 ' HB3' ' HB ' ' A' ' 35' ' ' ILE . . . -105.93 117.37 33.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 10.0 109.298 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.43 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 2.0 p-10 -103.38 153.35 20.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 10.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 32' ' ' TRP . 57.4 t -133.39 155.87 41.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 10.0 109.279 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.412 ' C ' ' CG1' ' A' ' 99' ' ' ILE . 92.0 p -172.53 97.02 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 10.0 109.986 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.412 ' CG1' ' C ' ' A' ' 98' ' ' SER . 0.8 OUTLIER -149.03 170.92 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 10.0 109.262 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.439 ' HB3' ' CG ' ' A' ' 28' ' ' PRO . 0.6 OUTLIER -124.01 94.82 4.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 10.0 110.289 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -96.38 117.82 31.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 10.0 109.28 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.45 ' C ' ' N ' ' A' ' 104' ' ' ILE . 80.7 p -98.4 -32.09 11.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 10.0 110.012 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 53.4 t -41.1 -28.95 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 10.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.7 ' HB ' HG21 ' A' ' 112' ' ' ILE . 2.6 pp -121.26 170.35 11.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.103 . . . . 10.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.863 ' C ' HD23 ' A' ' 106' ' ' LEU . 27.9 p -170.8 -179.81 2.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 10.0 109.997 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.863 HD23 ' C ' ' A' ' 105' ' ' SER . 0.2 OUTLIER -108.93 39.69 1.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 10.0 109.34 179.939 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -106.3 159.69 15.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 10.0 109.964 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -66.23 77.39 0.12 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.487 1.117 . . . . 10.0 110.999 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 172.09 -51.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 0.754 . . . . 10.0 109.271 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.722 ' O ' HG23 ' A' ' 112' ' ' ILE . 11.3 m80 -115.12 11.69 16.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 10.0 109.565 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 43.5 p -40.69 111.92 0.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 10.0 109.968 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.722 HG23 ' O ' ' A' ' 110' ' ' HIS . 1.2 pt -103.6 20.24 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 10.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.545 HG22 ' O ' ' A' ' 113' ' ' ILE . 17.5 mm -70.6 70.49 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.432 1.083 . . . . 10.0 109.267 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 170.87 39.23 0.03 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.495 1.122 . . . . 10.0 111.016 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.948 ' HB2' HD13 ' A' ' 149' ' ' ILE . 16.7 mtt180 -100.12 88.6 3.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 0.755 . . . . 10.0 110.296 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.763 HG23 HG23 ' A' ' 148' ' ' VAL . 14.2 m -68.94 61.21 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 10.0 110.427 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.402 ' N ' ' O ' ' A' ' 115' ' ' ARG . 1.7 tp -45.63 110.02 0.22 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 10.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.839 HG12 ' O ' ' A' ' 145' ' ' ALA . 0.0 OUTLIER -116.55 97.52 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 10.0 109.32 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.84 HG11 HD11 ' A' ' 38' ' ' LEU . 17.6 t -46.28 171.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.121 . . . . 10.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.538 ' H ' HG12 ' A' ' 119' ' ' VAL . 1.0 OUTLIER -99.42 123.45 43.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 10.0 109.586 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -44.7 -34.36 2.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 10.0 110.329 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.46 ' N ' ' HB1' ' A' ' 140' ' ' ALA . 0.0 OUTLIER -148.41 175.12 11.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 10.0 109.281 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.31 -166.1 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.089 . . . . 10.0 109.277 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -154.47 93.9 1.64 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 10.0 109.286 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.61 -25.24 67.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 10.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.561 HD23 ' O ' ' A' ' 134' ' ' SER . 3.5 mt 56.65 18.28 3.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 10.0 109.255 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -178.4 62.07 0.08 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.446 1.091 . . . . 10.0 111.0 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.2 -77.19 0.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 0.774 . . . . 10.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -163.99 29.79 0.24 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.499 1.124 . . . . 10.0 111.024 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -152.04 -173.75 22.0 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.973 -0.851 . . . . 10.0 110.973 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' ASN . . . . . 0.524 ' O ' ' CB ' ' A' ' 132' ' ' GLU . 35.2 m-20 -153.54 149.7 27.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 0.749 . . . . 10.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.524 ' CB ' ' O ' ' A' ' 131' ' ' ASN . 7.9 tt0 88.14 11.81 0.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 10.0 110.283 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -134.98 -81.7 0.43 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 10.0 110.318 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' SER . . . . . 0.561 ' O ' HD23 ' A' ' 126' ' ' LEU . 4.8 m -58.19 -26.04 62.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.165 . . . . 10.0 110.004 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 31.8 p -63.41 -35.02 79.05 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.436 1.085 . . . . 10.0 110.378 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 9.2 pttt -94.19 -32.92 13.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 10.0 109.289 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 32.8 p -125.77 -98.2 0.41 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.155 . . . . 10.0 110.367 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' GLY . . . . . 0.452 ' N ' ' HA ' ' A' ' 134' ' ' SER . . . 166.14 40.83 0.02 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.514 1.133 . . . . 10.0 110.993 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 48.5 24.74 0.79 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 0.783 . . . . 10.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.46 ' HB1' ' N ' ' A' ' 122' ' ' LYS . . . -145.32 21.92 1.52 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 10.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -75.79 85.52 0.87 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.475 1.11 . . . . 10.0 110.96 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.38 1.06 11.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 0.746 . . . . 10.0 110.007 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 143' ' ' ARG . . . . . 0.431 ' HG2' HG21 ' A' ' 118' ' ' VAL . 0.1 OUTLIER 65.63 -84.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 10.0 110.31 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.404 ' O ' ' O ' ' A' ' 143' ' ' ARG . 16.2 mt 61.63 143.78 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 10.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 145' ' ' ALA . . . . . 0.839 ' O ' HG12 ' A' ' 118' ' ' VAL . . . 56.07 168.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 10.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 146' ' ' CYS . . . . . 0.428 ' O ' ' N ' ' A' ' 148' ' ' VAL . 11.0 p -155.56 68.17 0.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 10.0 108.321 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 147' ' ' GLY . . . . . 0.738 ' O ' ' HB1' ' A' ' 6' ' ' ALA . . . -67.98 60.52 0.37 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.547 1.155 . . . . 10.0 111.018 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.763 HG23 HG23 ' A' ' 116' ' ' THR . 3.3 t -61.28 131.77 26.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 0.77 . . . . 10.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 149' ' ' ILE . . . . . 0.948 HD13 ' HB2' ' A' ' 115' ' ' ARG . 4.6 mp -86.15 112.84 23.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 10.0 109.292 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 150' ' ' GLY . . . . . 0.407 ' O ' ' HA ' ' A' ' 4' ' ' ALA . . . -126.78 154.2 19.16 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.531 1.145 . . . . 10.0 110.976 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 151' ' ' ILE . . . . . 0.724 HG23 HG21 ' A' ' 2' ' ' THR . 18.9 mm -57.72 138.53 18.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.547 0.792 . . . . 10.0 109.328 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 152' ' ' ALA . . . . . 0.615 ' CB ' HG23 ' A' ' 5' ' ' VAL . . . -141.13 157.5 45.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.155 . . . . 10.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 1.6 pm0 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 10.0 110.32 179.975 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.287 -0.634 . . . . 10.0 109.287 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.954 ' CG2' HD12 ' A' ' 151' ' ' ILE . 41.4 m -124.09 154.06 40.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 10.0 110.406 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.4 tmtt? -138.98 110.79 7.17 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.485 1.115 . . . . 10.0 109.288 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.929 ' HB3' ' HB2' ' A' ' 20' ' ' PHE . . . -84.54 159.91 20.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.415 1.072 . . . . 10.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.459 HG23 ' HB3' ' A' ' 152' ' ' ALA . 1.9 t -143.45 155.35 16.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 10.0 109.326 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.967 ' HB3' HG23 ' A' ' 18' ' ' ILE . . . -146.8 91.76 2.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 10.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.495 ' O ' HG13 ' A' ' 7' ' ' VAL . 7.7 p -83.7 92.87 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 10.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.678 HD12 ' HB3' ' A' ' 145' ' ' ALA . 3.3 mm? -44.04 131.93 5.66 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 10.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.9 tttm -168.01 102.58 0.46 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 10.0 109.314 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 11' ' ' ASP . . . -163.26 -93.28 0.09 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.472 1.107 . . . . 10.0 110.97 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 10' ' ' GLY . 24.9 t70 -38.59 -65.46 0.35 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 0.791 . . . . 10.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 155.02 -59.36 0.38 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.501 1.126 . . . . 10.0 111.022 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.407 ' O ' ' O ' ' A' ' 36' ' ' LYS . 18.0 Cg_endo -75.05 -34.51 3.72 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.478 1.778 . . . . 10.0 110.962 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.97 HG21 HD13 ' A' ' 144' ' ' LEU . 31.2 t -71.21 94.75 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 10.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -120.85 47.13 1.87 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 10.0 110.281 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.491 ' N ' ' HB2' ' A' ' 8' ' ' LEU . . . -59.52 166.7 8.87 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.544 1.152 . . . . 10.0 110.987 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 22.0 mt -139.39 99.35 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.499 0.764 . . . . 10.0 109.272 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.993 HD12 ' N ' ' A' ' 19' ' ' ASN . 0.1 OUTLIER -108.34 135.2 47.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 10.0 109.341 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.993 ' N ' HD12 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -131.23 145.32 51.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 10.0 109.291 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.929 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 5.5 m-85 -115.62 135.75 53.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 10.0 110.948 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.467 ' HB2' ' CH2' ' A' ' 32' ' ' TRP . 4.3 tp10 -130.49 128.1 40.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 10.0 110.29 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.906 ' HB2' HG13 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -145.27 64.62 1.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.426 1.079 . . . . 10.0 110.295 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 22.3 mtmt -72.78 63.95 0.64 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.562 1.164 . . . . 10.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.51 ' O ' ' CB ' ' A' ' 25' ' ' SER . 0.2 OUTLIER -153.72 -49.41 0.09 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.451 1.094 . . . . 10.0 110.307 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.51 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 0.3 OUTLIER 85.65 -13.44 0.61 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 10.0 109.971 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -156.21 24.65 0.36 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.137 . . . . 10.0 109.345 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -124.17 -159.5 10.46 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.537 1.148 . . . . 10.0 110.997 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.43 ' HA ' ' O ' ' A' ' 101' ' ' ASP . 18.2 Cg_endo -75.05 142.52 27.8 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.469 1.773 . . . . 10.0 110.999 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.906 HG13 ' HB2' ' A' ' 22' ' ' GLN . 10.9 t -101.48 103.0 14.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.424 1.077 . . . . 10.0 109.271 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.511 ' O ' ' CZ3' ' A' ' 32' ' ' TRP . 59.6 mttt -73.23 100.11 3.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 10.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.615 HG13 ' CD1' ' A' ' 20' ' ' PHE . 40.4 t -101.27 143.41 14.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 10.0 109.253 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.511 ' CZ3' ' O ' ' A' ' 30' ' ' LYS . 35.6 p90 -164.11 145.19 8.54 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.996 -1.113 . . . . 10.0 107.996 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.45 ' O ' ' HA ' ' A' ' 96' ' ' ASP . . . -158.58 -174.21 27.98 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.51 1.131 . . . . 10.0 111.015 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 21.5 p -157.14 120.42 4.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 0.753 . . . . 10.0 110.029 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.552 HG21 HD13 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -83.93 165.83 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 10.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.518 ' CG ' ' O ' ' A' ' 35' ' ' ILE . 14.6 mttm -157.1 111.56 2.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 10.0 109.267 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.437 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 142.1 -48.47 0.79 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.496 1.123 . . . . 10.0 111.02 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.732 HD22 ' CG ' ' A' ' 43' ' ' HIS . 0.8 OUTLIER -52.88 -172.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 0.782 . . . . 10.0 109.334 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.561 ' O ' ' CE1' ' A' ' 43' ' ' HIS . 20.0 p -129.64 139.46 51.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 10.0 110.411 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.76 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 1.5 pt-20 -36.42 130.77 0.68 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 10.0 110.271 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.43 ' O ' ' HA ' ' A' ' 88' ' ' THR . . . 139.33 -161.01 26.05 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.51 1.131 . . . . 10.0 111.019 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.456 ' O ' ' ND1' ' A' ' 43' ' ' HIS . 0.4 OUTLIER -77.32 142.99 39.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 0.776 . . . . 10.0 109.28 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.732 ' CG ' HD22 ' A' ' 38' ' ' LEU . 21.4 m-70 -141.75 123.21 14.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 10.0 109.586 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.711 ' O ' HG12 ' A' ' 119' ' ' VAL . . . -59.12 172.05 4.6 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.536 1.147 . . . . 10.0 111.0 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -138.12 68.95 1.39 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.539 0.788 . . . . 10.0 110.978 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.766 ' O ' HG23 ' A' ' 47' ' ' VAL . 57.1 m170 -52.78 174.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 10.0 109.63 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.766 HG23 ' O ' ' A' ' 46' ' ' HIS . 8.2 t -161.73 74.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 10.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.818 ' CG ' HG22 ' A' ' 116' ' ' THR . 0.0 OUTLIER -45.11 163.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 10.0 109.6 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.456 ' O ' ' CE1' ' A' ' 48' ' ' HIS . 2.3 mt-10 -93.35 -163.42 1.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 10.0 110.329 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -103.58 169.97 8.22 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.525 1.141 . . . . 10.0 110.311 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -176.7 -53.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 10.0 110.282 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.41 ' O ' ' CG ' ' A' ' 53' ' ' ASN . 32.2 m-20 39.92 87.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 10.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.41 ' CG ' ' O ' ' A' ' 52' ' ' ASP . 6.3 m-20 170.01 52.97 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 10.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.624 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 0.0 OUTLIER -155.01 -48.53 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 10.0 110.383 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.624 ' HB2' ' O ' ' A' ' 54' ' ' THR . . . 167.97 -75.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 10.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -163.78 -65.56 0.02 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.495 1.122 . . . . 10.0 110.994 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 1.236 ' SG ' ' SG ' ' A' ' 146' ' ' CYS . 21.3 t -156.12 90.0 1.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.315 -0.995 . . . . 10.0 108.315 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 71.5 p -141.43 -151.14 0.35 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 10.0 110.408 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.5 m -110.33 77.82 1.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.562 1.164 . . . . 10.0 109.992 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -99.87 -50.42 4.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 10.0 109.334 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 159.9 83.26 0.05 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.506 1.129 . . . . 10.0 110.968 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 99.22 1.23 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.483 1.781 . . . . 10.0 111.028 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.403 ' O ' ' C ' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -84.54 -76.19 0.32 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 10.0 109.615 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.559 ' CE2' ' HB2' ' A' ' 48' ' ' HIS . 0.2 OUTLIER 36.78 -150.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.52 1.137 . . . . 10.0 111.04 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -155.7 65.8 4.39 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 10.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 47.52 1.77 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.55 1.816 . . . . 10.0 111.009 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.479 ' O ' ' N ' ' A' ' 69' ' ' ARG . 1.2 pp -144.41 14.36 1.61 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 10.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 67' ' ' LEU . 0.3 OUTLIER 37.36 30.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 10.0 109.966 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.479 ' N ' ' O ' ' A' ' 67' ' ' LEU . 1.5 mtt-85 73.98 -54.21 0.68 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 10.0 110.304 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -170.72 161.63 7.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 10.0 109.247 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -89.56 117.1 28.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 10.0 109.589 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -159.97 -98.19 0.13 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.53 1.144 . . . . 10.0 111.001 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -94.31 137.33 13.46 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.997 -0.841 . . . . 10.0 110.997 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.527 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 18.2 Cg_endo -75.0 73.66 4.25 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.475 1.777 . . . . 10.0 111.004 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.527 ' CB ' ' O ' ' A' ' 74' ' ' PRO . 0.0 OUTLIER 89.4 26.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 10.0 109.358 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -122.63 -68.4 0.89 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 10.0 109.317 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -102.89 11.79 36.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 10.0 110.29 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -176.76 -166.51 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 10.0 110.324 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.492 ' O ' ' CB ' ' A' ' 80' ' ' HIS . 3.1 mpt_? 65.29 169.67 0.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 10.0 110.296 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.492 ' CB ' ' O ' ' A' ' 79' ' ' ARG . 1.9 t-80 87.36 12.1 0.12 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.554 1.159 . . . . 10.0 109.554 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.488 ' O ' HG12 ' A' ' 81' ' ' VAL . 90.3 t -141.74 67.8 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.085 . . . . 10.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.463 ' O ' ' N ' ' A' ' 47' ' ' VAL . . . 116.51 -53.32 0.63 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.433 1.083 . . . . 10.0 110.995 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -90.93 158.66 16.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 0.774 . . . . 10.0 109.274 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.486 ' O ' HD23 ' A' ' 84' ' ' LEU . 2.4 tt -147.64 50.77 1.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 10.0 109.294 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 65.93 -160.73 44.82 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.507 1.129 . . . . 10.0 111.007 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -126.38 175.33 7.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 0.753 . . . . 10.0 109.291 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.645 HG23 ' N ' ' A' ' 88' ' ' THR . 5.1 m -133.37 -147.04 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 10.0 109.266 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.645 ' N ' HG23 ' A' ' 87' ' ' VAL . 3.8 m -154.91 135.99 13.87 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.504 1.127 . . . . 10.0 110.392 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.76 ' HB3' ' HA ' ' A' ' 40' ' ' GLU . . . -85.18 175.58 8.88 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 10.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.439 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 12.1 t0 -84.26 -96.08 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 10.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.439 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 8.9 pttt -138.48 12.04 2.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 10.0 109.274 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -157.78 26.08 0.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 10.0 109.286 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.491 ' CA ' ' HB1' ' A' ' 89' ' ' ALA . . . 92.07 -34.79 4.25 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.496 1.122 . . . . 10.0 111.008 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.507 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 20.5 t -38.98 100.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.485 0.756 . . . . 10.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -105.65 117.98 35.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 10.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.45 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 2.8 p-10 -106.87 152.93 23.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.108 . . . . 10.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 97.7 t -127.63 159.28 38.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 10.0 109.311 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 59.6 p -165.39 90.69 0.49 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 10.0 109.975 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 6.7 mt -120.34 149.84 23.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 10.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -141.76 88.62 2.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 10.0 110.316 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.43 ' O ' ' HA ' ' A' ' 28' ' ' PRO . 0.6 OUTLIER -128.03 156.84 42.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 10.0 109.265 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 89.0 p -120.11 28.83 7.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 10.0 110.023 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 95.7 t -90.55 -36.84 8.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 10.0 109.302 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.566 HG13 HG21 ' A' ' 112' ' ' ILE . 0.2 OUTLIER -83.25 -171.16 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.16 . . . . 10.0 109.288 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.581 ' O ' HG23 ' A' ' 112' ' ' ILE . 17.6 t -160.79 170.59 20.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 10.0 110.008 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.468 ' HA ' ' CD1' ' A' ' 112' ' ' ILE . 9.0 mp -92.15 -42.94 9.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 10.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.46 80.09 1.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 10.0 110.001 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -151.15 -99.75 0.2 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.477 1.11 . . . . 10.0 110.97 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -113.92 -34.02 5.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 0.781 . . . . 10.0 109.25 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 11.5 m80 -119.7 65.15 0.81 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.57 1.169 . . . . 10.0 109.614 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 97.7 p -68.81 125.19 25.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 10.0 109.968 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.581 HG23 ' O ' ' A' ' 105' ' ' SER . 0.2 OUTLIER -83.98 -3.25 7.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 10.0 109.283 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.441 HD13 HG12 ' A' ' 151' ' ' ILE . 5.2 mt -72.92 150.67 8.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 10.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 65.03 24.83 70.51 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.49 1.119 . . . . 10.0 110.981 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 23.2 mtp180 -116.0 59.66 0.73 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 0.78 . . . . 10.0 110.315 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.818 HG22 ' CG ' ' A' ' 48' ' ' HIS . 1.2 t -56.66 166.51 0.92 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 10.0 110.404 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.979 HD22 ' O ' ' A' ' 117' ' ' LEU . 0.0 OUTLIER -130.35 115.04 16.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 10.0 109.307 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.7 HG12 ' H ' ' A' ' 144' ' ' LEU . 0.1 OUTLIER -113.08 78.61 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.127 . . . . 10.0 109.29 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.837 HG23 HD12 ' A' ' 144' ' ' LEU . 1.5 m -49.43 145.96 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 10.0 109.297 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.604 ' CD2' ' O ' ' A' ' 122' ' ' LYS . 0.8 OUTLIER -83.85 161.86 20.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 10.0 109.645 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.502 ' O ' ' CB ' ' A' ' 122' ' ' LYS . 5.8 tt0 -96.45 54.14 1.35 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 10.0 110.258 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.604 ' O ' ' CD2' ' A' ' 120' ' ' HIS . 0.3 OUTLIER 164.18 157.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 10.0 109.272 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -92.19 129.18 38.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.572 1.17 . . . . 10.0 109.279 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -62.46 -13.82 34.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 10.0 109.31 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 22.4 t0 60.84 26.92 16.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 10.0 109.283 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 7.0 mt 53.57 20.33 2.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 10.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 123.44 86.74 0.77 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.542 1.151 . . . . 10.0 110.951 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.78 -33.5 4.46 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.557 0.798 . . . . 10.0 109.273 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 103.03 -5.49 50.14 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.51 1.131 . . . . 10.0 110.965 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -69.73 -164.23 4.25 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.996 -0.842 . . . . 10.0 110.996 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' ASN . . . . . 0.471 ' O ' ' CB ' ' A' ' 132' ' ' GLU . 7.9 m120 -148.42 127.67 12.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 0.758 . . . . 10.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.471 ' CB ' ' O ' ' A' ' 131' ' ' ASN . 13.0 tt0 84.01 -11.07 0.88 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 10.0 110.265 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -118.0 -57.87 2.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.417 1.073 . . . . 10.0 110.284 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' SER . . . . . 0.546 ' HA ' ' CA ' ' A' ' 138' ' ' GLY . 0.0 OUTLIER -84.34 -29.57 26.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 10.0 110.007 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.84 -4.27 23.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 10.0 110.398 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.617 ' HG2' HG23 ' A' ' 137' ' ' THR . 2.4 ttpt -105.59 -59.75 1.72 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 10.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 137' ' ' THR . . . . . 0.617 HG23 ' HG2' ' A' ' 136' ' ' LYS . 23.4 p -117.73 -32.98 4.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.088 . . . . 10.0 110.39 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 138' ' ' GLY . . . . . 0.546 ' CA ' ' HA ' ' A' ' 134' ' ' SER . . . 120.89 8.8 7.86 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.518 1.136 . . . . 10.0 110.976 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 139' ' ' ASN . . . . . 0.509 ' CB ' ' O ' ' A' ' 138' ' ' GLY . 1.0 OUTLIER 83.76 25.18 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 0.775 . . . . 10.0 109.344 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.421 ' O ' ' ND1' ' A' ' 120' ' ' HIS . . . -161.44 79.12 0.58 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 10.0 109.317 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -147.43 81.54 0.2 Allowed Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.495 1.122 . . . . 10.0 111.024 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.81 5.9 5.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.413 0.714 . . . . 10.0 109.992 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 59.27 -175.99 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 10.0 110.263 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.97 HD13 HG21 ' A' ' 14' ' ' VAL . 15.4 mt -155.35 -99.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 10.0 109.364 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 145' ' ' ALA . . . . . 0.678 ' HB3' HD12 ' A' ' 8' ' ' LEU . . . -108.84 156.81 19.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 10.0 109.323 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 146' ' ' CYS . . . . . 1.236 ' SG ' ' SG ' ' A' ' 57' ' ' CYS . 1.2 p -121.2 72.63 1.0 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 10.0 108.307 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 147' ' ' GLY . . . . . 0.584 ' H ' HD13 ' A' ' 8' ' ' LEU . . . -51.7 -45.16 54.97 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.475 1.11 . . . . 10.0 111.009 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.513 ' N ' ' OG1' ' A' ' 116' ' ' THR . 2.2 t 66.89 114.98 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 0.772 . . . . 10.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 149' ' ' ILE . . . . . 0.606 HG13 ' HB2' ' A' ' 6' ' ' ALA . 4.2 mp -84.01 93.53 3.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.501 1.126 . . . . 10.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -113.96 158.41 14.32 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.483 1.114 . . . . 10.0 110.996 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 151' ' ' ILE . . . . . 0.954 HD12 ' CG2' ' A' ' 2' ' ' THR . 35.1 mm -66.28 147.47 12.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.433 0.725 . . . . 10.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 152' ' ' ALA . . . . . 0.459 ' HB3' HG23 ' A' ' 5' ' ' VAL . . . -143.06 167.48 21.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 10.0 109.298 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 10.0 110.268 -179.961 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.84 ' HB3' ' O ' ' A' ' 22' ' ' GLN . . . . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.286 -0.635 . . . . 10.0 109.286 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.9 p -139.34 176.63 8.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 10.0 110.412 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.803 ' O ' ' HB3' ' A' ' 152' ' ' ALA . 0.0 OUTLIER -94.76 131.67 40.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 10.0 109.267 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.508 ' CB ' HG22 ' A' ' 149' ' ' ILE . . . -107.43 163.54 12.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 10.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.863 HG23 ' HB2' ' A' ' 152' ' ' ALA . 14.0 t -130.4 159.7 42.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 10.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.761 ' HB1' ' O ' ' A' ' 147' ' ' GLY . . . -155.99 91.67 1.3 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 10.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 56.6 t -82.42 98.45 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 10.0 109.325 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.575 HD22 ' HA3' ' A' ' 147' ' ' GLY . 3.1 mm? -41.09 144.06 0.33 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 10.0 109.294 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.714 ' H ' ' HB1' ' A' ' 145' ' ' ALA . 9.0 tttt 178.2 125.13 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 10.0 109.299 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 170.82 -91.73 0.1 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.57 1.169 . . . . 10.0 110.995 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.434 ' OD2' HD23 ' A' ' 144' ' ' LEU . 26.5 t0 -40.04 -66.32 0.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 0.77 . . . . 10.0 109.271 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.401 ' N ' ' CD ' ' A' ' 13' ' ' PRO . . . 157.49 -56.55 0.37 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.502 1.126 . . . . 10.0 110.994 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.41 ' O ' ' O ' ' A' ' 36' ' ' LYS . 18.3 Cg_endo -74.99 -52.37 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.518 1.799 . . . . 10.0 111.016 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.478 HG22 HD12 ' A' ' 38' ' ' LEU . 71.7 t -62.38 94.7 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 10.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -133.87 50.3 2.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 10.0 110.277 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.497 ' N ' ' HB2' ' A' ' 8' ' ' LEU . . . -75.61 -171.62 30.72 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.474 1.109 . . . . 10.0 110.982 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.423 HG13 ' C ' ' A' ' 16' ' ' GLY . 65.0 mt -142.98 116.97 3.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.531 0.783 . . . . 10.0 109.315 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.774 HD13 ' C ' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -122.61 133.34 69.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 10.0 109.291 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -122.65 150.66 42.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 10.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.814 ' CE2' HG22 ' A' ' 31' ' ' VAL . 2.9 m-85 -123.93 94.13 4.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 10.0 110.99 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.473 ' HA ' ' CB ' ' A' ' 3' ' ' LYS . 32.9 tt0 -83.75 122.89 29.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 10.0 110.275 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.869 ' CG ' HG22 ' A' ' 29' ' ' VAL . 0.3 OUTLIER -150.41 61.62 0.96 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.453 1.095 . . . . 10.0 110.324 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.478 ' HA ' ' O ' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -94.87 65.18 2.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 10.0 109.3 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.433 ' HB3' ' N ' ' A' ' 27' ' ' GLY . 1.2 mt-10 -155.6 138.82 15.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 10.0 110.325 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 53.5 m -77.02 -7.49 55.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 10.0 110.02 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 12.0 m-20 -155.47 28.94 0.39 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 10.0 109.262 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.433 ' N ' ' HB3' ' A' ' 24' ' ' GLU . . . -108.53 156.01 15.9 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.468 1.105 . . . . 10.0 110.981 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.443 ' HA ' ' O ' ' A' ' 101' ' ' ASP . 18.5 Cg_endo -75.01 168.23 25.29 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.503 1.791 . . . . 10.0 111.025 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.869 HG22 ' CG ' ' A' ' 22' ' ' GLN . 42.8 t -96.08 98.02 7.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 10.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.464 ' HG2' ' CG ' ' A' ' 100' ' ' GLU . 34.0 mttt -60.66 89.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 10.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.814 HG22 ' CE2' ' A' ' 20' ' ' PHE . 45.6 t -84.76 117.91 30.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 10.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -149.93 160.93 43.22 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.955 -1.128 . . . . 10.0 107.955 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.433 ' O ' ' HA ' ' A' ' 96' ' ' ASP . . . 175.59 -171.26 44.36 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.53 1.144 . . . . 10.0 111.011 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 80.4 p -156.68 122.72 4.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 0.766 . . . . 10.0 109.999 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.872 HG21 HD13 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -83.87 165.83 2.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.434 1.084 . . . . 10.0 109.274 -179.943 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.507 ' N ' HG23 ' A' ' 35' ' ' ILE . 21.3 mttm -156.06 108.26 2.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 10.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.457 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 144.24 -47.89 0.75 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.504 1.127 . . . . 10.0 110.967 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.872 HD13 HG21 ' A' ' 35' ' ' ILE . 3.5 mp -51.98 -172.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 0.767 . . . . 10.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.437 ' O ' ' NE2' ' A' ' 43' ' ' HIS . 21.5 p -132.73 137.31 46.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 10.0 110.401 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.718 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 5.6 pt-20 -36.63 122.06 0.77 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.574 1.171 . . . . 10.0 110.301 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.514 ' C ' HD13 ' A' ' 42' ' ' LEU . . . 146.51 -157.58 27.44 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.451 1.094 . . . . 10.0 111.023 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.769 ' N ' HD13 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -92.18 157.43 16.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 0.752 . . . . 10.0 109.314 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.619 ' CG ' HD23 ' A' ' 38' ' ' LEU . 87.3 m-70 -154.92 148.87 25.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 10.0 109.62 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -48.12 176.91 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.468 1.105 . . . . 10.0 111.028 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.787 ' CZ ' HD22 ' A' ' 84' ' ' LEU . 2.2 t80 -104.7 155.02 19.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 0.79 . . . . 10.0 111.03 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.42 ' O ' ' HB ' ' A' ' 47' ' ' VAL . 0.4 OUTLIER -60.94 177.18 0.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.429 1.081 . . . . 10.0 109.612 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.42 ' HB ' ' O ' ' A' ' 46' ' ' HIS . 11.7 t 75.35 111.88 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 10.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.56 ' CD2' ' HG3' ' A' ' 143' ' ' ARG . 44.8 p-80 -147.67 59.76 1.14 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 10.0 109.556 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -167.48 176.59 6.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 10.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.428 ' HA ' ' OD1' ' A' ' 65' ' ' ASN . 1.3 mt-10 -70.98 -87.75 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 10.0 110.261 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -121.27 -164.85 1.16 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 10.0 110.345 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.401 ' O ' ' OD1' ' A' ' 53' ' ' ASN . 4.9 m-20 -136.23 116.79 13.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 10.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.401 ' OD1' ' O ' ' A' ' 52' ' ' ASP . 14.3 m-20 176.27 62.7 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 10.0 109.341 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.588 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 10.0 t -150.42 -45.22 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 10.0 110.381 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.588 ' HB2' ' O ' ' A' ' 54' ' ' THR . . . 170.9 -95.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 10.0 109.258 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -143.35 -90.61 0.13 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.508 1.13 . . . . 10.0 110.943 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 2.0 t -117.61 111.21 18.89 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.336 -0.987 . . . . 10.0 108.336 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.8 p -140.94 107.18 5.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 10.0 110.444 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 89.4 p -43.71 101.43 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.104 . . . . 10.0 109.947 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -123.78 -75.28 0.6 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 10.0 109.238 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 172.0 99.78 0.13 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.5 1.125 . . . . 10.0 111.022 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 119.64 5.72 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.527 1.804 . . . . 10.0 110.987 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 35.0 m80 -137.52 29.97 2.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 10.0 109.619 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.403 ' CE2' ' HA3' ' A' ' 82' ' ' GLY . 0.1 OUTLIER 43.7 -167.77 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 10.0 111.019 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.428 ' OD1' ' HA ' ' A' ' 50' ' ' GLU . 3.4 t30 -124.01 153.05 67.65 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.513 1.133 . . . . 10.0 109.335 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -30.15 7.47 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.477 1.778 . . . . 10.0 110.97 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.48 ' HB3' ' CG2' ' A' ' 81' ' ' VAL . 0.2 OUTLIER -43.28 -52.04 5.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 10.0 109.296 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.44 ' O ' ' HB2' ' A' ' 69' ' ' ARG . 89.4 p -69.61 -32.04 70.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 10.0 110.012 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.44 ' HB2' ' O ' ' A' ' 68' ' ' SER . 0.3 OUTLIER 67.91 -64.47 0.28 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 10.0 110.313 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.494 ' CB ' ' O ' ' A' ' 135' ' ' THR . 0.0 OUTLIER -163.38 166.06 23.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 10.0 109.322 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -64.22 151.06 44.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 10.0 109.619 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 175.65 -120.85 0.78 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.47 1.106 . . . . 10.0 110.979 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 114.11 -76.73 0.25 Allowed Glycine 0 CA--C 1.531 1.051 0 N-CA-C 110.952 -0.859 . . . . 10.0 110.952 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -21.7 15.53 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.546 1.814 . . . . 10.0 111.006 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -128.9 40.03 3.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 10.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 164.82 124.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.55 1.156 . . . . 10.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.448 ' CG ' ' O ' ' A' ' 77' ' ' GLU . 9.5 tt0 -94.65 -7.1 41.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 10.0 110.322 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.9 -60.93 2.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 10.0 110.3 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.11 143.37 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 10.0 110.298 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 170.68 -34.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 10.0 109.603 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.48 ' CG2' ' HB3' ' A' ' 67' ' ' LEU . 49.0 t -109.03 81.37 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 10.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.403 ' HA3' ' CE2' ' A' ' 64' ' ' PHE . . . 119.8 -46.73 1.09 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.499 1.124 . . . . 10.0 110.986 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -99.77 140.79 33.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 0.752 . . . . 10.0 109.283 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.787 HD22 ' CZ ' ' A' ' 45' ' ' PHE . 4.8 tt -154.32 -73.45 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 10.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -165.55 -176.68 37.24 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.502 1.126 . . . . 10.0 111.028 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 12.6 m-20 -97.45 144.17 27.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 0.764 . . . . 10.0 109.28 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.478 HG22 ' O ' ' A' ' 43' ' ' HIS . 17.1 m -92.52 -166.51 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 10.0 109.248 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.426 ' HA ' ' O ' ' A' ' 41' ' ' GLY . 87.2 m -153.83 136.44 15.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 10.0 110.39 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.718 ' HB3' ' HA ' ' A' ' 40' ' ' GLU . . . -92.12 175.86 6.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 10.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.45 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 11.4 t0 -80.59 -97.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 10.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.45 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 7.7 pttt -137.14 10.87 3.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 10.0 109.342 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -158.0 25.26 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 10.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.525 ' CA ' ' HB1' ' A' ' 89' ' ' ALA . . . 95.55 -38.88 2.98 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.503 1.127 . . . . 10.0 111.029 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.464 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 21.3 t -36.76 99.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.489 0.758 . . . . 10.0 109.335 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 93' ' ' GLY . . . -103.06 119.24 38.5 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.478 1.111 . . . . 10.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.433 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 4.1 p-10 -107.17 148.51 28.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.56 1.163 . . . . 10.0 109.301 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 29.7 t -121.38 159.6 23.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 10.0 109.331 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 95.9 p -170.54 83.75 0.1 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 10.0 109.97 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 5.1 mt -126.24 157.26 36.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 10.0 109.278 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.464 ' CG ' ' HG2' ' A' ' 30' ' ' LYS . 8.4 mt-10 -130.74 103.11 6.41 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.536 1.147 . . . . 10.0 110.286 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.443 ' O ' ' HA ' ' A' ' 28' ' ' PRO . 8.2 m-20 -98.56 116.58 31.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 10.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.65 ' O ' HG13 ' A' ' 103' ' ' VAL . 77.6 p -105.83 74.2 1.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 10.0 109.995 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.65 HG13 ' O ' ' A' ' 102' ' ' SER . 0.0 OUTLIER -163.29 -47.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 10.0 109.289 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.55 HD13 ' H ' ' A' ' 104' ' ' ILE . 0.2 OUTLIER -87.01 172.67 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 10.0 109.334 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.835 ' O ' HG23 ' A' ' 112' ' ' ILE . 2.2 t -152.3 171.59 17.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 10.0 110.006 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.573 ' HB2' ' HB1' ' A' ' 1' ' ' ALA . 0.2 OUTLIER -74.53 -42.19 59.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 10.0 109.308 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.14 158.29 44.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 10.0 109.996 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 131.17 -81.9 0.32 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.509 1.131 . . . . 10.0 111.003 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -142.41 -47.32 0.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 0.785 . . . . 10.0 109.315 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 16.3 m80 -100.02 66.93 1.38 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 10.0 109.604 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 81.2 p -65.81 135.45 54.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.565 1.166 . . . . 10.0 110.007 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.835 HG23 ' O ' ' A' ' 105' ' ' SER . 1.0 OUTLIER -85.08 -33.32 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.424 1.078 . . . . 10.0 109.283 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.563 HD11 HG12 ' A' ' 151' ' ' ILE . 7.7 mt -47.09 134.92 3.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.565 1.166 . . . . 10.0 109.336 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 122.64 -14.62 8.6 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.483 1.114 . . . . 10.0 111.027 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.481 ' O ' HD12 ' A' ' 149' ' ' ILE . 0.0 OUTLIER -96.77 173.78 7.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.439 0.729 . . . . 10.0 110.334 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.989 HG23 HG23 ' A' ' 118' ' ' VAL . 13.9 t -158.08 132.55 8.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 10.0 110.372 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.514 ' HB3' HG21 ' A' ' 18' ' ' ILE . 0.1 OUTLIER -71.88 62.53 0.44 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 10.0 109.258 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.989 HG23 HG23 ' A' ' 116' ' ' THR . 2.9 t -73.53 152.84 7.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 10.0 109.292 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -125.79 -171.78 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 10.0 109.318 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 31.6 m-70 -140.85 148.04 39.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 10.0 109.622 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.539 ' O ' ' CB ' ' A' ' 122' ' ' LYS . 6.7 tt0 -84.55 46.66 1.26 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 10.0 110.267 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.747 ' HB3' ' HB1' ' A' ' 140' ' ' ALA . 0.0 OUTLIER 161.24 168.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 10.0 109.296 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.468 ' HB2' ' HB2' ' A' ' 42' ' ' LEU . . . -99.46 163.37 12.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 10.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -79.65 -11.83 59.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 10.0 109.325 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 4.1 t70 65.47 28.07 11.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 10.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 6.3 mt 54.58 20.07 2.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 10.0 109.29 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 111.86 102.27 2.62 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.513 1.133 . . . . 10.0 110.995 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.59 -75.33 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 0.734 . . . . 10.0 109.275 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 148.38 -18.22 1.32 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.49 1.119 . . . . 10.0 110.991 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -59.37 -162.46 0.08 OUTLIER Glycine 0 CA--C 1.529 0.937 0 N-CA-C 111.034 -0.826 . . . . 10.0 111.034 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' ASN . . . . . 0.493 ' O ' ' CB ' ' A' ' 132' ' ' GLU . 8.4 p30 -144.83 129.68 18.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 0.724 . . . . 10.0 109.279 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.493 ' CB ' ' O ' ' A' ' 131' ' ' ASN . 0.9 OUTLIER 85.43 -11.13 0.74 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.16 . . . . 10.0 110.323 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -111.05 -65.44 1.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 10.0 110.293 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 76.6 p -74.38 -24.56 59.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.469 1.106 . . . . 10.0 110.019 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' THR . . . . . 0.494 ' O ' ' CB ' ' A' ' 70' ' ' LYS . 8.5 p -71.05 -10.16 59.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 10.0 110.41 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.7 -55.32 2.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 10.0 109.28 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 60.0 p -118.4 -87.81 0.62 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 10.0 110.385 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 177.14 37.7 0.06 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.456 1.097 . . . . 10.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 41.15 46.05 2.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 0.74 . . . . 10.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.747 ' HB1' ' HB3' ' A' ' 122' ' ' LYS . . . -172.77 -40.11 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 10.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 141' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 140' ' ' ALA . . . -35.66 96.14 0.01 OUTLIER Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.536 1.148 . . . . 10.0 110.981 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 142' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 140' ' ' ALA . 11.7 t -107.53 98.74 8.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 0.766 . . . . 10.0 109.997 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 143' ' ' ARG . . . . . 0.56 ' HG3' ' CD2' ' A' ' 48' ' ' HIS . 1.0 OUTLIER -42.95 151.54 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 10.0 110.31 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.434 HD23 ' OD2' ' A' ' 11' ' ' ASP . 1.0 OUTLIER -140.59 -128.84 0.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.123 . . . . 10.0 109.31 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 145' ' ' ALA . . . . . 0.714 ' HB1' ' H ' ' A' ' 9' ' ' LYS . . . -65.69 174.93 2.07 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.1 . . . . 10.0 109.253 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 8.6 p -140.72 71.46 1.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 10.0 108.261 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 147' ' ' GLY . . . . . 0.761 ' O ' ' HB1' ' A' ' 6' ' ' ALA . . . -68.29 66.7 0.38 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.57 1.169 . . . . 10.0 111.047 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.457 ' CG2' ' HB ' ' A' ' 116' ' ' THR . 1.2 t -60.97 133.1 26.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.526 0.78 . . . . 10.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 149' ' ' ILE . . . . . 0.508 HG22 ' CB ' ' A' ' 4' ' ' ALA . 3.0 mp -77.14 127.78 38.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 10.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -134.91 148.1 19.42 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.559 1.162 . . . . 10.0 110.989 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 151' ' ' ILE . . . . . 0.563 HG12 HD11 ' A' ' 113' ' ' ILE . 21.4 mm -43.77 143.81 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.536 0.786 . . . . 10.0 109.334 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 152' ' ' ALA . . . . . 0.863 ' HB2' HG23 ' A' ' 5' ' ' VAL . . . -124.51 172.09 9.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 10.0 109.273 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 10.0 110.332 179.95 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 22' ' ' GLN . . . . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.326 -0.62 . . . . 10.0 109.326 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.757 HG23 ' CD1' ' A' ' 151' ' ' ILE . 35.6 m -83.47 70.81 10.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 10.0 110.385 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.13 97.53 9.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.568 1.168 . . . . 10.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.88 ' HB3' ' HB2' ' A' ' 20' ' ' PHE . . . -84.86 153.81 22.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 10.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.457 HG23 ' HB2' ' A' ' 152' ' ' ALA . 10.5 t -126.05 150.93 31.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 10.0 109.266 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.588 ' HB1' ' C ' ' A' ' 147' ' ' GLY . . . -156.27 88.69 1.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 10.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.575 ' O ' HG13 ' A' ' 7' ' ' VAL . 14.5 p -81.81 99.78 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 10.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.563 HD21 ' CG2' ' A' ' 18' ' ' ILE . 0.7 OUTLIER -46.66 138.83 5.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.148 . . . . 10.0 109.29 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.429 ' H ' ' HB1' ' A' ' 145' ' ' ALA . 19.6 tttt -169.71 112.76 0.49 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 10.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 11' ' ' ASP . . . -156.6 -102.61 0.19 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.491 1.119 . . . . 10.0 110.986 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.909 ' HB2' HD22 ' A' ' 144' ' ' LEU . 38.4 t0 -40.27 -66.46 0.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 0.753 . . . . 10.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 160.37 -62.39 0.29 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.496 1.123 . . . . 10.0 110.967 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 54.65 3.71 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.514 1.797 . . . . 10.0 111.012 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.576 ' O ' HG13 ' A' ' 14' ' ' VAL . 3.4 p -173.41 109.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 10.0 109.307 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -132.12 48.11 2.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 10.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.501 ' N ' ' HB2' ' A' ' 8' ' ' LEU . . . -51.37 168.84 0.46 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.481 1.113 . . . . 10.0 110.985 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.423 HG13 ' C ' ' A' ' 16' ' ' GLY . 64.6 mt -142.13 98.85 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 0.765 . . . . 10.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.66 HD12 ' N ' ' A' ' 19' ' ' ASN . 0.1 OUTLIER -109.24 133.73 53.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 10.0 109.289 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.66 ' N ' HD12 ' A' ' 18' ' ' ILE . 0.1 OUTLIER -131.06 144.32 51.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 10.0 109.302 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.88 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 25.0 m-85 -114.31 107.88 16.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 10.0 110.988 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 30' ' ' LYS . 5.0 tt0 -100.0 150.93 21.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 10.0 110.29 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' A' ' 1' ' ' ALA . 10.8 tt0 -150.96 83.41 1.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 10.0 110.336 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.3 mttt -75.74 57.99 1.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 10.0 109.283 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.515 ' O ' ' CB ' ' A' ' 25' ' ' SER . 3.8 mp0 -155.62 -47.13 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 10.0 110.305 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.515 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 1.4 t 86.47 -14.87 0.48 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 10.0 109.981 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -157.51 25.29 0.29 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 10.0 109.336 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -125.1 -144.25 6.26 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.486 1.116 . . . . 10.0 110.971 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.483 ' HA ' ' O ' ' A' ' 101' ' ' ASP . 18.4 Cg_endo -75.0 152.84 41.24 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.541 1.811 . . . . 10.0 110.993 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.458 HG22 ' HG3' ' A' ' 22' ' ' GLN . 49.0 t -115.18 109.9 30.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 10.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 21' ' ' GLU . 40.5 mttt -74.32 97.59 3.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 10.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.744 HG22 ' CD2' ' A' ' 20' ' ' PHE . 23.8 t -95.57 130.27 44.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 10.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.53 ' O ' HD12 ' A' ' 18' ' ' ILE . 7.0 p90 -158.2 150.54 22.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 10.0 107.985 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.403 ' O ' ' HA ' ' A' ' 96' ' ' ASP . . . -159.86 -176.41 31.91 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.474 1.109 . . . . 10.0 111.011 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 7.5 p -156.28 118.99 4.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 0.77 . . . . 10.0 109.981 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.801 ' O ' HG13 ' A' ' 94' ' ' VAL . 0.2 OUTLIER -87.18 166.36 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 10.0 109.301 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.6 ' HA ' HG22 ' A' ' 94' ' ' VAL . 0.0 OUTLIER -161.95 112.21 1.58 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 10.0 109.314 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.409 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 134.97 -36.36 2.07 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.511 1.132 . . . . 10.0 110.97 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.603 HD13 HG21 ' A' ' 35' ' ' ILE . 0.2 OUTLIER -54.31 -169.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 0.76 . . . . 10.0 109.311 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.419 ' O ' ' NE2' ' A' ' 43' ' ' HIS . 3.3 p -121.44 132.42 54.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 10.0 110.434 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.764 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 0.4 OUTLIER -46.67 132.09 11.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 10.0 110.329 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.468 ' C ' HD13 ' A' ' 42' ' ' LEU . . . 136.02 -146.02 18.0 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.521 1.138 . . . . 10.0 111.016 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.507 ' N ' HD13 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -96.24 151.35 19.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 0.805 . . . . 10.0 109.275 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.578 ' N ' ' HB2' ' A' ' 123' ' ' ALA . 66.5 m-70 -155.27 166.93 32.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 10.0 109.613 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.599 ' C ' ' CD1' ' A' ' 45' ' ' PHE . . . -119.09 144.94 18.05 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.473 1.108 . . . . 10.0 110.981 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.741 ' HD2' HG12 ' A' ' 119' ' ' VAL . 4.4 m-85 -155.88 136.66 13.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 0.772 . . . . 10.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.457 ' O ' HG22 ' A' ' 118' ' ' VAL . 23.6 p80 -178.21 176.25 1.12 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 10.0 109.581 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.479 ' CG1' ' N ' ' A' ' 48' ' ' HIS . 44.6 t -57.12 165.19 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.452 1.095 . . . . 10.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.483 ' CD2' HG11 ' A' ' 118' ' ' VAL . 0.0 OUTLIER -167.16 157.28 11.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 10.0 109.596 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.469 ' O ' ' CB ' ' A' ' 50' ' ' GLU . 0.2 OUTLIER -152.91 161.37 42.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 10.0 110.302 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.502 ' O ' ' CB ' ' A' ' 51' ' ' GLU . 3.7 tt0 83.65 -179.79 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 10.0 110.299 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.502 ' CB ' ' O ' ' A' ' 50' ' ' GLU . 5.0 tp10 86.04 -54.43 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 10.0 110.261 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 51' ' ' GLU . 2.0 m-20 40.08 84.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 10.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.0 m-20 175.03 72.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 10.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.644 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 0.1 OUTLIER -152.4 -48.47 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 10.0 110.432 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.644 ' HB2' ' O ' ' A' ' 54' ' ' THR . . . 167.2 -87.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 10.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -113.42 60.73 0.35 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.48 1.112 . . . . 10.0 111.026 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -146.02 110.98 5.25 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.27 -1.011 . . . . 10.0 108.27 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 56.0 p -91.68 -145.27 0.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 10.0 110.43 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.467 ' O ' ' HB3' ' A' ' 60' ' ' ALA . 5.1 t -131.7 -65.55 0.75 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 10.0 109.97 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.467 ' HB3' ' O ' ' A' ' 59' ' ' SER . . . 69.71 -61.52 0.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 10.0 109.331 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -152.0 109.51 0.42 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.485 1.116 . . . . 10.0 110.999 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 57.98 4.74 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.498 1.788 . . . . 10.0 111.009 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.406 ' O ' ' CG ' ' A' ' 63' ' ' HIS . 51.2 p-80 -122.45 77.56 1.43 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.452 1.095 . . . . 10.0 109.586 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -41.4 -88.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 10.0 111.02 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -155.06 91.17 2.93 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 10.0 109.274 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 84.8 1.6 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.465 1.771 . . . . 10.0 111.002 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.629 ' C ' HD13 ' A' ' 67' ' ' LEU . 2.7 tm? -155.76 -50.14 0.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.572 1.17 . . . . 10.0 109.252 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 17.4 t -153.14 22.67 0.56 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 10.0 110.014 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -72.45 59.78 0.44 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 10.0 110.304 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.468 ' O ' ' C ' ' A' ' 71' ' ' HIS . 0.4 OUTLIER -179.35 162.21 1.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 10.0 109.317 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.615 ' CG ' ' O ' ' A' ' 71' ' ' HIS . 0.7 OUTLIER -33.91 103.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 10.0 109.598 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.452 ' CA ' ' HA ' ' A' ' 76' ' ' ASP . . . 168.94 164.83 25.32 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.444 1.09 . . . . 10.0 111.013 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 111.46 -139.96 15.85 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 111.021 -0.831 . . . . 10.0 111.021 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.473 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 18.1 Cg_endo -75.07 75.89 3.59 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.445 1.761 . . . . 10.0 110.977 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.519 ' CG ' ' O ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER 85.89 24.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 10.0 109.308 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.452 ' HA ' ' CA ' ' A' ' 72' ' ' GLY . 0.0 OUTLIER 69.89 85.52 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 10.0 109.297 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -116.35 -14.26 11.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 10.0 110.295 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 61.15 145.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 10.0 110.286 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.423 ' HD3' ' NE2' ' A' ' 46' ' ' HIS . 71.8 mtt180 64.21 76.53 0.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.153 . . . . 10.0 110.341 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 -101.45 -4.61 26.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 10.0 109.588 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.66 HG12 ' N ' ' A' ' 82' ' ' GLY . 2.8 t -101.02 -80.77 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 10.0 109.35 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.66 ' N ' HG12 ' A' ' 81' ' ' VAL . . . -49.52 -48.44 34.93 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.444 1.09 . . . . 10.0 111.002 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.4 ' HB2' ' CD2' ' A' ' 46' ' ' HIS . 6.2 t70 -90.42 124.84 35.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 0.753 . . . . 10.0 109.266 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.5 tt -89.12 -26.1 21.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 10.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 158.82 -169.61 35.18 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.488 1.118 . . . . 10.0 110.998 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.519 ' ND2' ' HB1' ' A' ' 123' ' ' ALA . 1.0 OUTLIER -94.49 156.57 16.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 0.751 . . . . 10.0 109.318 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.489 ' CG2' ' CE1' ' A' ' 45' ' ' PHE . 30.6 m -118.94 -175.11 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 10.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.7 m -135.93 129.11 31.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 10.0 110.351 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.764 ' HB3' ' HA ' ' A' ' 40' ' ' GLU . . . -84.5 173.89 10.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 10.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.447 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 10.1 t70 -83.19 -100.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 10.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.447 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 17.7 mtmt -135.48 6.82 3.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 10.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -142.67 15.6 1.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 10.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.475 ' HA3' ' C ' ' A' ' 38' ' ' LEU . . . 93.13 -30.05 7.53 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.514 1.134 . . . . 10.0 111.003 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.801 HG13 ' O ' ' A' ' 35' ' ' ILE . 89.7 t -42.92 107.86 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 0.769 . . . . 10.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -114.87 124.13 50.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 10.0 109.251 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.403 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 0.5 OUTLIER -110.93 150.65 28.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 10.0 109.277 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' A' ' 32' ' ' TRP . 60.8 t -130.6 159.92 42.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 10.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.404 ' N ' HG12 ' A' ' 97' ' ' VAL . 4.5 t -164.52 98.44 0.79 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 10.0 110.002 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 8.1 mt -130.31 145.93 34.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 10.0 109.294 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 52.8 tt0 -131.09 95.91 3.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 10.0 110.291 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.483 ' O ' ' HA ' ' A' ' 28' ' ' PRO . 0.2 OUTLIER -111.31 162.2 15.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 10.0 109.31 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 78.7 p -131.6 10.98 4.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 10.0 110.008 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 47.6 t -84.48 -36.27 11.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 10.0 109.264 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.692 HG13 HG21 ' A' ' 112' ' ' ILE . 0.1 OUTLIER -89.16 177.3 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 10.0 109.277 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.406 ' O ' ' O ' ' A' ' 110' ' ' HIS . 3.8 t -167.37 139.51 3.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 10.0 109.983 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.596 ' HG ' HD11 ' A' ' 112' ' ' ILE . 2.4 mp -71.63 -27.11 62.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.431 1.082 . . . . 10.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -135.49 133.96 39.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.568 1.167 . . . . 10.0 109.932 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 141.12 -85.06 0.21 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.462 1.101 . . . . 10.0 110.956 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -145.93 -46.81 0.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 0.752 . . . . 10.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.406 ' O ' ' O ' ' A' ' 105' ' ' SER . 7.3 m-70 -85.19 53.43 2.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 10.0 109.605 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.41 115.83 2.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 10.0 109.986 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.692 HG21 HG13 ' A' ' 104' ' ' ILE . 19.4 pt -85.24 -25.39 6.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 10.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 2.4 mt -60.68 127.96 21.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 10.0 109.316 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 116.86 4.28 17.0 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.515 1.134 . . . . 10.0 110.969 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.454 ' HA ' HG22 ' A' ' 47' ' ' VAL . 24.2 mtt180 -84.58 116.56 23.22 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 0.775 . . . . 10.0 110.275 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.835 HG23 HG23 ' A' ' 148' ' ' VAL . 7.5 m -91.71 73.27 5.83 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.128 . . . . 10.0 110.376 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.63 ' O ' HD13 ' A' ' 117' ' ' LEU . 3.2 tm? -63.26 77.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 10.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.743 HG21 ' CB ' ' A' ' 143' ' ' ARG . 13.3 m -80.26 172.38 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 10.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.741 HG12 ' HD2' ' A' ' 45' ' ' PHE . 3.1 m -117.42 139.71 43.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 10.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 74.5 m-70 -105.09 145.22 30.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 10.0 109.619 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -39.09 -52.0 1.87 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 10.0 110.32 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 64.0 mttt -126.67 -167.83 1.78 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 10.0 109.263 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.578 ' HB2' ' N ' ' A' ' 43' ' ' HIS . . . -93.36 179.98 5.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.567 1.167 . . . . 10.0 109.326 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 -70.65 -7.82 47.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 10.0 109.331 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 62.39 25.43 15.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 10.0 109.3 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 16.5 mt 56.9 18.38 3.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 10.0 109.289 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 130' ' ' GLY . . . 89.43 -16.54 55.9 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.484 1.115 . . . . 10.0 111.009 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 3.7 tttt 48.1 31.39 2.48 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 0.757 . . . . 10.0 109.267 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 130' ' ' GLY . . . 73.34 30.93 61.84 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.496 1.122 . . . . 10.0 111.04 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 130' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 127' ' ' GLY . . . 58.52 118.73 0.01 OUTLIER Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.019 -0.832 . . . . 10.0 111.019 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' ASN . . . . . 0.748 ' N ' HG23 ' A' ' 135' ' ' THR . 5.3 t-20 -141.87 155.12 45.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 0.794 . . . . 10.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 131' ' ' ASN . 39.7 mt-10 -36.91 -30.66 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 10.0 110.307 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 133' ' ' GLN . . . . . 0.48 ' N ' ' O ' ' A' ' 131' ' ' ASN . 0.5 OUTLIER -86.65 -50.0 7.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 10.0 110.262 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 134' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 131' ' ' ASN . 0.3 OUTLIER -67.66 -53.84 24.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 10.0 110.021 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 135' ' ' THR . . . . . 0.748 HG23 ' N ' ' A' ' 131' ' ' ASN . 52.9 p -46.47 -23.44 0.38 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 10.0 110.371 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.719 ' HG2' HG23 ' A' ' 137' ' ' THR . 5.9 tttt -101.11 -36.17 9.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 10.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 137' ' ' THR . . . . . 0.719 HG23 ' HG2' ' A' ' 136' ' ' LYS . 81.8 p -134.76 -96.99 0.26 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 10.0 110.399 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 138' ' ' GLY . . . . . 0.438 ' N ' ' OG1' ' A' ' 137' ' ' THR . . . 178.95 36.4 0.06 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.504 1.128 . . . . 10.0 110.97 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 41.17 30.84 0.12 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.544 0.791 . . . . 10.0 109.274 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.415 ' N ' ' C ' ' A' ' 138' ' ' GLY . . . -89.24 -60.74 1.87 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 10.0 109.279 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 152.0 -86.81 0.14 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.499 1.124 . . . . 10.0 111.039 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 3.5 t -176.53 146.57 0.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 0.77 . . . . 10.0 110.023 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' ARG . . . . . 0.743 ' CB ' HG21 ' A' ' 118' ' ' VAL . 0.0 OUTLIER -55.46 166.87 0.56 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 10.0 110.298 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.909 HD22 ' HB2' ' A' ' 11' ' ' ASP . 52.9 mt -146.89 -108.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 10.0 109.341 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 145' ' ' ALA . . . . . 0.702 ' O ' HG12 ' A' ' 118' ' ' VAL . . . -43.23 163.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 10.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 146' ' ' CYS . . . . . 0.603 ' HA ' HG12 ' A' ' 118' ' ' VAL . 0.8 OUTLIER -136.79 70.21 1.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 10.0 108.305 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 147' ' ' GLY . . . . . 0.588 ' C ' ' HB1' ' A' ' 6' ' ' ALA . . . -73.68 62.73 1.94 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.502 1.126 . . . . 10.0 111.017 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.835 HG23 HG23 ' A' ' 116' ' ' THR . 4.0 t -65.06 133.5 30.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.505 0.768 . . . . 10.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 149' ' ' ILE . . . . . 0.632 HG23 ' HB1' ' A' ' 4' ' ' ALA . 1.3 mp -63.78 122.42 14.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 10.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -134.8 116.26 1.55 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.476 1.11 . . . . 10.0 110.989 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 151' ' ' ILE . . . . . 0.757 ' CD1' HG23 ' A' ' 2' ' ' THR . 9.8 mm -47.54 151.47 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 0.767 . . . . 10.0 109.261 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 152' ' ' ALA . . . . . 0.457 ' HB2' HG23 ' A' ' 5' ' ' VAL . . . -143.66 156.01 44.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 10.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 10.0 110.296 -179.998 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.499 ' N ' ' O ' ' A' ' 22' ' ' GLN . . . . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.306 -0.627 . . . . 10.0 109.306 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.973 HG22 HD12 ' A' ' 151' ' ' ILE . 0.2 OUTLIER -83.75 97.39 9.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 10.0 110.405 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.1 ttpm? -83.02 102.45 11.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 10.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.676 ' HB1' ' CG2' ' A' ' 149' ' ' ILE . . . -86.57 154.86 20.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 10.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.465 HG23 ' HB2' ' A' ' 152' ' ' ALA . 0.7 OUTLIER -127.96 147.08 32.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 10.0 109.282 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.726 ' HB2' HD13 ' A' ' 149' ' ' ILE . . . -151.88 90.35 1.53 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 10.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.766 HG23 HG12 ' A' ' 17' ' ' ILE . 10.3 p -81.65 104.84 10.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 10.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.477 HD23 ' N ' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -45.99 122.93 4.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 10.0 109.289 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.44 -46.14 70.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.562 1.164 . . . . 10.0 109.321 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.408 ' HA3' ' O ' ' A' ' 14' ' ' VAL . . . 73.16 120.03 0.07 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.496 1.123 . . . . 10.0 111.03 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -51.57 -21.99 2.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 0.729 . . . . 10.0 109.256 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 179.12 -60.39 0.08 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.485 1.115 . . . . 10.0 111.022 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -59.25 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.445 1.761 . . . . 10.0 111.044 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.921 HG11 ' HB2' ' A' ' 145' ' ' ALA . 7.4 t -45.46 150.0 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 10.0 109.29 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 175.59 54.02 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.13 . . . . 10.0 110.235 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.452 ' HA3' ' O ' ' A' ' 34' ' ' SER . . . -96.12 -169.69 34.91 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.521 1.138 . . . . 10.0 110.965 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.766 HG12 HG23 ' A' ' 7' ' ' VAL . 52.2 mt -141.08 122.1 13.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.529 0.782 . . . . 10.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.611 HD11 ' CE1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -126.92 126.22 68.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 10.0 109.295 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -113.75 159.44 19.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 10.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.96 ' CE1' HG13 ' A' ' 31' ' ' VAL . 1.5 m-85 -129.23 101.09 5.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 10.0 110.972 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 30' ' ' LYS . 12.0 tt0 -101.0 153.81 19.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 10.0 110.299 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.68 ' HG3' HG22 ' A' ' 29' ' ' VAL . 0.3 OUTLIER -148.08 62.54 1.11 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.518 1.136 . . . . 10.0 110.259 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.6 mtpt -71.49 64.56 0.43 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.125 . . . . 10.0 109.302 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -152.44 166.25 32.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 10.0 110.276 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 49.5 m -69.84 57.56 0.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 10.0 109.97 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 33.7 m-20 61.15 32.39 19.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 10.0 109.332 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -97.1 -114.14 3.14 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.512 1.133 . . . . 10.0 111.05 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.462 ' HA ' ' O ' ' A' ' 101' ' ' ASP . 18.2 Cg_endo -75.04 163.55 35.03 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.52 1.8 . . . . 10.0 110.996 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.68 HG22 ' HG3' ' A' ' 22' ' ' GLN . 58.5 t -125.49 129.77 72.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 10.0 109.33 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 21' ' ' GLU . 8.6 mttt -87.96 90.86 8.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 10.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.96 HG13 ' CE1' ' A' ' 20' ' ' PHE . 74.0 t -85.02 135.09 25.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 10.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -160.3 156.28 26.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 10.0 107.998 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.426 ' CA ' ' HA ' ' A' ' 18' ' ' ILE . . . -177.1 -171.97 41.2 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.455 1.097 . . . . 10.0 111.022 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.452 ' O ' ' HA3' ' A' ' 16' ' ' GLY . 0.6 OUTLIER -156.98 116.34 3.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 0.754 . . . . 10.0 109.998 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.505 ' HB ' ' HB3' ' A' ' 95' ' ' ALA . 0.3 OUTLIER -83.55 161.72 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 10.0 109.307 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.41 ' N ' HG23 ' A' ' 35' ' ' ILE . 13.0 mttt -151.56 92.97 1.82 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 10.0 109.31 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 150.77 -30.97 1.01 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.49 1.119 . . . . 10.0 111.012 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.819 HD13 ' CD2' ' A' ' 43' ' ' HIS . 8.6 mt -54.72 -167.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 0.749 . . . . 10.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.416 ' O ' ' C ' ' A' ' 40' ' ' GLU . 2.8 p -140.64 126.31 19.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 10.0 110.408 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.651 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 0.9 OUTLIER -37.77 103.36 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 10.0 110.27 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 157.3 170.88 22.69 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.513 1.133 . . . . 10.0 110.996 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.23 160.83 3.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 0.765 . . . . 10.0 109.239 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.819 ' CD2' HD13 ' A' ' 38' ' ' LEU . 76.4 m-70 -149.74 167.58 26.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 10.0 109.649 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.21 178.89 43.52 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.529 1.143 . . . . 10.0 111.021 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.526 ' CZ ' ' NH1' ' A' ' 79' ' ' ARG . 39.2 m-85 -55.2 175.75 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 0.78 . . . . 10.0 110.992 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.69 ' CD2' HD12 ' A' ' 117' ' ' LEU . 0.0 OUTLIER -145.18 60.16 1.3 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 10.0 109.552 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 83.0 t -147.59 152.0 13.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 10.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.534 ' CE1' ' HB3' ' A' ' 62' ' ' PRO . 0.0 OUTLIER -177.38 157.36 1.3 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 10.0 109.596 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.43 ' CB ' ' O ' ' A' ' 48' ' ' HIS . 2.3 tp10 81.02 136.77 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.575 1.172 . . . . 10.0 110.318 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -52.63 -83.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 10.0 110.286 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -118.71 -166.12 1.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 10.0 110.316 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -54.26 107.38 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 10.0 109.284 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 176.37 69.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 10.0 109.32 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.544 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 0.6 OUTLIER -151.86 -50.05 0.11 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 10.0 110.364 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.544 ' HB3' ' O ' ' A' ' 54' ' ' THR . . . 73.54 -58.01 0.61 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 10.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -174.48 54.01 0.14 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.518 1.136 . . . . 10.0 110.982 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 1.426 ' SG ' ' SG ' ' A' ' 146' ' ' CYS . 55.7 m 65.66 134.03 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.307 -0.997 . . . . 10.0 108.307 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 33.7 p -121.23 -144.69 0.35 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.47 1.106 . . . . 10.0 110.377 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -152.41 89.04 1.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 10.0 110.01 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -144.44 -67.57 0.33 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 10.0 109.249 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 162.38 78.65 0.03 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.494 1.122 . . . . 10.0 110.952 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.534 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 18.3 Cg_endo -74.97 130.57 13.42 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.499 1.789 . . . . 10.0 111.023 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -137.12 43.69 2.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 10.0 109.594 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 52.02 -172.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 10.0 110.96 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.906 ' HB2' HG11 ' A' ' 81' ' ' VAL . 3.7 m-80 -85.0 131.52 48.55 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 10.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 73.75 4.22 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.458 1.767 . . . . 10.0 111.034 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.553 ' CB ' HG21 ' A' ' 81' ' ' VAL . 0.2 OUTLIER -162.14 -44.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 10.0 109.328 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.483 ' O ' ' HB2' ' A' ' 69' ' ' ARG . 0.9 OUTLIER -63.83 -48.49 76.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 10.0 110.001 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.558 ' O ' ' CB ' ' A' ' 70' ' ' LYS . 0.9 OUTLIER 69.15 -59.47 0.48 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 10.0 110.328 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.558 ' CB ' ' O ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER 92.44 -66.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 10.0 109.305 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.461 ' O ' ' CG ' ' A' ' 71' ' ' HIS . 0.1 OUTLIER -38.66 97.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 10.0 109.617 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 70' ' ' LYS . . . 133.78 -131.14 5.9 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.513 1.133 . . . . 10.0 110.975 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -92.31 137.24 13.62 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.99 -0.844 . . . . 10.0 110.99 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.523 ' HA ' ' CD ' ' A' ' 79' ' ' ARG . 18.4 Cg_endo -74.97 0.9 8.33 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.503 1.791 . . . . 10.0 111.008 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 12.8 pttt 176.98 41.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 10.0 109.282 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -139.89 -69.15 0.41 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 10.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.93 4.95 51.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 10.0 110.343 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 168.55 -161.46 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 10.0 110.278 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.526 ' NH1' ' CZ ' ' A' ' 45' ' ' PHE . 0.3 OUTLIER 63.27 81.23 0.21 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.433 1.083 . . . . 10.0 110.316 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -142.51 29.43 1.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 10.0 109.621 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.906 HG11 ' HB2' ' A' ' 65' ' ' ASN . 4.7 t -130.85 -89.03 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 10.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.74 ' N ' HG12 ' A' ' 81' ' ' VAL . . . -74.11 -28.73 63.76 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.497 1.123 . . . . 10.0 111.02 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.413 ' CG ' ' O ' ' A' ' 74' ' ' PRO . 0.9 OUTLIER -50.84 143.73 9.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 0.748 . . . . 10.0 109.316 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.432 HD22 ' HA ' ' A' ' 84' ' ' LEU . 0.4 OUTLIER -162.03 -60.3 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 10.0 109.281 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 168.06 -136.44 4.1 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.465 1.103 . . . . 10.0 110.963 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 16.2 m-20 -138.66 136.79 36.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 0.753 . . . . 10.0 109.353 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.484 HG23 ' HB2' ' A' ' 43' ' ' HIS . 4.4 m -104.36 153.44 6.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 10.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.5 m -131.22 149.98 52.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 10.0 110.398 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.651 ' HB3' ' HA ' ' A' ' 40' ' ' GLU . . . -85.57 166.67 16.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 10.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.45 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 7.6 t0 -68.44 -95.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.094 . . . . 10.0 109.258 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.509 ' CG ' ' O ' ' A' ' 91' ' ' LYS . 28.6 tttt -141.13 14.07 2.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 10.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -158.95 25.68 0.21 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 10.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.57 ' C ' ' HB1' ' A' ' 89' ' ' ALA . . . 94.19 -38.59 3.1 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.504 1.128 . . . . 10.0 111.023 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.464 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 47.7 t -46.12 103.52 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.521 0.777 . . . . 10.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.505 ' HB3' ' HB ' ' A' ' 35' ' ' ILE . . . -103.95 114.66 29.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 10.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.424 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 1.1 p30 -108.08 150.89 26.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 10.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.487 ' CG1' HD12 ' A' ' 99' ' ' ILE . 42.1 t -123.78 159.72 28.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 10.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 11.8 p -178.77 79.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 10.0 110.0 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.487 HD12 ' CG1' ' A' ' 97' ' ' VAL . 3.0 mp -137.31 165.21 27.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 10.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.45 ' N ' HG22 ' A' ' 99' ' ' ILE . 1.1 tt0 -127.38 106.16 9.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 10.0 110.308 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.55 ' HB2' HD11 ' A' ' 104' ' ' ILE . 25.6 m-20 -84.25 114.44 21.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 10.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 86.7 p -98.36 50.12 1.0 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 10.0 110.018 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 77.0 t -144.26 -46.14 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 10.0 109.32 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.669 HG22 ' ND1' ' A' ' 110' ' ' HIS . 1.0 OUTLIER -92.74 -179.11 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 10.0 109.292 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.525 ' C ' HD23 ' A' ' 106' ' ' LEU . 97.2 p -178.71 -175.38 0.41 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 10.0 110.004 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.923 HD13 HD11 ' A' ' 113' ' ' ILE . 0.1 OUTLIER -109.48 27.64 9.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 10.0 109.332 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.12 179.99 5.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 10.0 109.955 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -78.52 76.03 1.9 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.5 1.125 . . . . 10.0 110.993 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 176.79 -56.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 0.776 . . . . 10.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.669 ' ND1' HG22 ' A' ' 104' ' ' ILE . 20.8 m-70 -90.22 -55.75 3.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 10.0 109.617 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 58.4 p 41.66 88.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 10.0 109.992 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.491 HD13 HD13 ' A' ' 104' ' ' ILE . 29.4 pt -96.14 1.32 10.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 10.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.923 HD11 HD13 ' A' ' 106' ' ' LEU . 7.9 mm -67.38 72.05 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 10.0 109.277 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 112' ' ' ILE . . . 172.32 39.07 0.03 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.491 1.119 . . . . 10.0 110.969 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.467 ' O ' ' CD2' ' A' ' 117' ' ' LEU . 0.2 OUTLIER -86.06 104.67 15.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 0.766 . . . . 10.0 110.3 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.712 HG23 HG23 ' A' ' 148' ' ' VAL . 7.7 m -78.72 79.38 5.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 10.0 110.434 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.69 HD12 ' CD2' ' A' ' 46' ' ' HIS . 3.1 mm? -61.81 91.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.113 . . . . 10.0 109.271 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.874 HG12 ' HA ' ' A' ' 146' ' ' CYS . 5.2 m -125.98 78.22 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 10.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 13.8 m -41.63 137.81 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.113 . . . . 10.0 109.284 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.582 ' CD2' ' O ' ' A' ' 140' ' ' ALA . 6.6 m-70 -85.12 177.92 7.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 10.0 109.582 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -119.11 62.04 0.8 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.09 . . . . 10.0 110.307 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.425 ' CB ' ' HA ' ' A' ' 140' ' ' ALA . 0.9 OUTLIER 173.31 168.99 0.16 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.121 . . . . 10.0 109.316 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.715 ' O ' ' HB2' ' A' ' 140' ' ' ALA . . . -74.16 -141.71 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 10.0 109.299 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -158.83 91.21 1.04 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 10.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.3 -21.49 59.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 10.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 10.0 mt 57.8 18.0 4.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.115 . . . . 10.0 109.277 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -142.44 -129.66 2.4 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.452 1.095 . . . . 10.0 111.021 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.581 ' HB2' HG22 ' A' ' 135' ' ' THR . 1.4 tttt -131.68 89.76 2.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 0.775 . . . . 10.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -85.82 16.47 41.54 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.496 1.122 . . . . 10.0 110.963 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 175.2 -148.18 9.39 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 111.004 -0.838 . . . . 10.0 111.004 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 65.3 m-80 -144.7 140.22 28.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 0.778 . . . . 10.0 109.282 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 50.22 21.79 0.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 10.0 110.337 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -132.22 -72.26 0.53 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 10.0 110.271 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 138' ' ' GLY . 0.7 OUTLIER -85.03 -20.93 29.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 10.0 109.973 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 135' ' ' THR . . . . . 0.581 HG22 ' HB2' ' A' ' 128' ' ' LYS . 28.1 p -72.72 -3.4 24.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.102 . . . . 10.0 110.39 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 3.1 pttt -114.87 -40.89 3.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 10.0 109.314 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' THR . . . . . 0.446 ' CG2' ' N ' ' A' ' 138' ' ' GLY . 2.6 t -99.91 -48.37 4.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 10.0 110.386 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 138' ' ' GLY . . . . . 0.46 ' O ' ' CB ' ' A' ' 139' ' ' ASN . . . 118.83 16.46 5.4 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.486 1.117 . . . . 10.0 110.987 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 139' ' ' ASN . . . . . 0.597 ' O ' ' HB2' ' A' ' 140' ' ' ALA . 6.6 t-20 78.98 55.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 0.772 . . . . 10.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.715 ' HB2' ' O ' ' A' ' 123' ' ' ALA . . . 169.98 48.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 10.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -104.49 71.92 0.25 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.476 1.11 . . . . 10.0 111.025 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -142.0 81.8 1.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 0.751 . . . . 10.0 110.029 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 143' ' ' ARG . . . . . 0.43 ' NH1' ' HB2' ' A' ' 143' ' ' ARG . 3.5 mtp-105 -52.84 143.65 16.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 10.0 110.236 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 12.8 mt -130.04 -66.63 0.78 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 10.0 109.279 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 145' ' ' ALA . . . . . 0.921 ' HB2' HG11 ' A' ' 14' ' ' VAL . . . -87.52 173.76 8.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 10.0 109.332 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 146' ' ' CYS . . . . . 1.426 ' SG ' ' SG ' ' A' ' 57' ' ' CYS . 56.2 m -156.53 68.72 0.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.143 . . . . 10.0 108.301 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 147' ' ' GLY . . . . . 0.615 ' O ' ' HB1' ' A' ' 6' ' ' ALA . . . -108.02 80.23 0.27 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.419 1.075 . . . . 10.0 110.992 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.712 HG23 HG23 ' A' ' 116' ' ' THR . 2.8 t -70.11 159.76 5.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 0.766 . . . . 10.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 149' ' ' ILE . . . . . 0.726 HD13 ' HB2' ' A' ' 6' ' ' ALA . 26.3 mm -74.89 147.58 8.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 10.0 109.342 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 150' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 151' ' ' ILE . . . -157.03 100.85 0.2 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.481 1.113 . . . . 10.0 110.992 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 151' ' ' ILE . . . . . 0.973 HD12 HG22 ' A' ' 2' ' ' THR . 8.9 mm -37.62 143.1 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.435 0.726 . . . . 10.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 152' ' ' ALA . . . . . 0.465 ' HB2' HG23 ' A' ' 5' ' ' VAL . . . -135.9 173.48 11.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 10.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 10.0 110.266 179.998 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.894 ' HB3' ' HA ' ' A' ' 23' ' ' LYS . . . . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.341 -0.614 . . . . 10.0 109.341 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.9 m -126.44 81.22 1.99 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.094 . . . . 10.0 110.392 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.441 ' HA ' ' O ' ' A' ' 20' ' ' PHE . 6.7 ttmt -109.38 141.4 41.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 10.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.729 ' HB3' ' HB2' ' A' ' 20' ' ' PHE . . . -128.26 162.45 26.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 10.0 109.268 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.702 ' CG2' ' HB2' ' A' ' 152' ' ' ALA . 0.1 OUTLIER -147.13 149.73 15.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 10.0 109.28 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.759 ' HB3' HG23 ' A' ' 18' ' ' ILE . . . -143.59 101.35 3.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 10.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.689 ' O ' HG13 ' A' ' 7' ' ' VAL . 8.6 p -83.44 90.0 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 10.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.694 HD11 ' O ' ' A' ' 117' ' ' LEU . 4.4 mm? -39.8 140.19 0.55 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 10.0 109.265 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.421 ' H ' ' HB1' ' A' ' 145' ' ' ALA . 0.0 OUTLIER -176.93 121.74 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 10.0 109.305 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -171.08 -83.28 0.05 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.484 1.115 . . . . 10.0 111.039 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -50.97 -56.64 11.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 0.762 . . . . 10.0 109.257 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 149.81 -56.6 0.47 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.575 1.172 . . . . 10.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -25.07 12.22 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.45 1.763 . . . . 10.0 111.049 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.424 HG12 ' HB2' ' A' ' 145' ' ' ALA . 2.7 t -81.8 104.12 9.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 10.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.684 ' OE1' HG22 ' A' ' 7' ' ' VAL . 0.0 OUTLIER -129.41 39.28 3.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 10.0 110.302 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.505 ' N ' ' HB2' ' A' ' 8' ' ' LEU . . . -51.5 167.28 0.68 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.557 1.16 . . . . 10.0 111.053 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.414 HG13 ' C ' ' A' ' 16' ' ' GLY . 63.6 mt -142.72 106.69 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.506 0.768 . . . . 10.0 109.359 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.982 HD12 ' N ' ' A' ' 19' ' ' ASN . 0.1 OUTLIER -114.18 135.54 53.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 10.0 109.324 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.982 ' N ' HD12 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -129.82 144.82 51.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.118 . . . . 10.0 109.316 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.765 ' CE1' HG13 ' A' ' 31' ' ' VAL . 2.9 m-30 -112.51 130.7 55.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 10.0 111.023 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.421 ' O ' ' HA ' ' A' ' 29' ' ' VAL . 0.5 OUTLIER -113.12 127.35 56.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 10.0 110.315 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.876 ' CD ' HG22 ' A' ' 29' ' ' VAL . 6.4 tp60 -155.07 61.0 0.65 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 10.0 110.285 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.894 ' HA ' ' HB3' ' A' ' 1' ' ' ALA . 12.6 mtmt -78.89 60.86 2.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.431 1.082 . . . . 10.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.476 ' O ' ' CB ' ' A' ' 25' ' ' SER . 0.2 OUTLIER -155.56 -44.63 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 10.0 110.313 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.476 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 2.0 t 83.99 -1.89 1.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 10.0 109.988 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 13.3 p-10 -163.98 29.74 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 10.0 109.27 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.427 ' O ' ' NE2' ' A' ' 22' ' ' GLN . . . -125.27 -163.06 11.52 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.478 1.111 . . . . 10.0 111.005 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.476 ' HA ' ' O ' ' A' ' 101' ' ' ASP . 18.2 Cg_endo -75.02 132.9 15.92 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.509 1.794 . . . . 10.0 111.017 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.876 HG22 ' CD ' ' A' ' 22' ' ' GLN . 28.8 t -91.87 87.5 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.425 1.078 . . . . 10.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.596 ' O ' ' CE3' ' A' ' 32' ' ' TRP . 48.2 mttt -60.72 87.63 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 10.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.765 HG13 ' CE1' ' A' ' 20' ' ' PHE . 66.9 t -89.76 138.48 19.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 10.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.596 ' CE3' ' O ' ' A' ' 30' ' ' LYS . 14.1 p90 -167.89 142.34 3.57 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.974 -1.121 . . . . 10.0 107.974 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.429 ' O ' ' HA ' ' A' ' 96' ' ' ASP . . . -151.78 -169.78 17.72 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.445 1.091 . . . . 10.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.4 m -157.51 122.13 4.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 0.761 . . . . 10.0 109.984 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.798 HG21 HD13 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -84.3 167.01 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 10.0 109.291 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.53 ' N ' HG23 ' A' ' 35' ' ' ILE . 22.8 mttt -156.21 114.64 3.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 10.0 109.263 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.452 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 129.03 -42.35 1.44 Allowed Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.488 1.118 . . . . 10.0 110.996 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 1.119 HD11 HG21 ' A' ' 119' ' ' VAL . 0.6 OUTLIER -53.33 -169.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 0.805 . . . . 10.0 109.293 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.5 p -141.71 147.6 37.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 10.0 110.429 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.636 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 1.4 tt0 -42.93 104.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 10.0 110.289 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.614 ' O ' ' CE1' ' A' ' 43' ' ' HIS . . . 165.21 -178.1 40.35 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.5 1.125 . . . . 10.0 111.002 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.581 ' N ' HD12 ' A' ' 42' ' ' LEU . 4.5 mp -89.01 131.63 35.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 0.77 . . . . 10.0 109.33 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.904 ' CD2' HD22 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -107.66 150.5 26.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 10.0 109.599 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.477 ' HA3' ' CG ' ' A' ' 120' ' ' HIS . . . -42.07 162.5 0.03 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.511 1.132 . . . . 10.0 110.988 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.606 ' CD1' ' OD1' ' A' ' 86' ' ' ASN . 5.5 m-85 -78.14 128.28 33.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 0.759 . . . . 10.0 110.996 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.524 ' ND1' HD22 ' A' ' 117' ' ' LEU . 0.4 OUTLIER -64.5 175.33 1.41 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 10.0 109.583 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.665 ' O ' ' CD2' ' A' ' 48' ' ' HIS . 24.6 t 69.53 59.44 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 10.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.665 ' CD2' ' O ' ' A' ' 47' ' ' VAL . 46.6 m170 -142.25 160.27 40.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 10.0 109.564 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.416 ' HB3' ' HA ' ' A' ' 62' ' ' PRO . 0.1 OUTLIER -166.17 115.2 0.95 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 10.0 110.278 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.569 ' HB2' ' CE1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER 174.46 -179.43 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 10.0 110.32 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.419 ' CB ' ' O ' ' A' ' 50' ' ' GLU . 0.0 OUTLIER 80.12 -54.97 0.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 10.0 110.287 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.79 124.0 35.6 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 10.0 109.341 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -105.62 45.48 0.97 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 10.0 109.304 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.7 t -105.75 -33.02 8.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 10.0 110.397 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 64.46 114.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 10.0 109.306 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -177.46 44.77 0.1 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.54 1.15 . . . . 10.0 110.994 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.412 ' HB2' ' NH2' ' A' ' 143' ' ' ARG . 7.7 m -164.12 -49.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.327 -0.99 . . . . 10.0 108.327 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 59' ' ' SER . 15.3 t -109.03 -37.37 5.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.505 1.128 . . . . 10.0 110.369 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 58' ' ' THR . 79.8 p 38.97 72.73 0.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 10.0 109.976 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -166.45 -67.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 10.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -153.36 78.78 0.2 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.503 1.127 . . . . 10.0 111.012 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.416 ' HA ' ' HB3' ' A' ' 49' ' ' GLU . 18.3 Cg_endo -75.03 60.49 5.48 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.509 1.794 . . . . 10.0 110.958 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.523 ' CG ' ' O ' ' A' ' 63' ' ' HIS . 0.1 OUTLIER -151.4 58.46 0.89 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 10.0 109.605 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.569 ' CE1' ' HB2' ' A' ' 50' ' ' GLU . 6.2 m-85 44.82 -158.41 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.115 . . . . 10.0 110.988 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -148.17 159.54 39.43 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 10.0 109.305 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 67' ' ' LEU . 18.2 Cg_endo -75.04 -48.54 0.17 Allowed 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.5 1.789 . . . . 10.0 110.966 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.807 HD13 HG21 ' A' ' 81' ' ' VAL . 0.2 OUTLIER -38.89 -50.52 1.73 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 10.0 109.3 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.418 ' O ' ' N ' ' A' ' 70' ' ' LYS . 47.1 t -71.16 -43.19 68.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 10.0 109.988 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.43 ' CB ' ' HG2' ' A' ' 78' ' ' GLU . 0.3 OUTLIER 69.48 -57.59 0.53 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.128 . . . . 10.0 110.325 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 68' ' ' SER . 0.0 OUTLIER 74.8 170.93 0.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 10.0 109.275 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.502 ' CG ' ' O ' ' A' ' 71' ' ' HIS . 6.1 t-80 65.96 73.53 0.38 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 10.0 109.608 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 170.99 -120.31 0.84 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.478 1.111 . . . . 10.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -109.05 138.56 14.83 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.986 -0.845 . . . . 10.0 110.986 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.469 ' O ' ' HB3' ' A' ' 75' ' ' LYS . 18.3 Cg_endo -75.03 91.54 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.453 1.765 . . . . 10.0 111.015 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.469 ' HB3' ' O ' ' A' ' 74' ' ' PRO . 0.3 OUTLIER 73.17 29.82 1.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 10.0 109.284 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -125.15 -75.47 0.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 10.0 109.291 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -100.08 9.49 42.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 10.0 110.364 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.43 ' HG2' ' CB ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -168.37 -157.36 0.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 10.0 110.272 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.453 ' O ' ' CB ' ' A' ' 80' ' ' HIS . 0.4 OUTLIER 67.31 151.14 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 10.0 110.282 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.453 ' CB ' ' O ' ' A' ' 79' ' ' ARG . 0.1 OUTLIER 166.27 -29.98 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 10.0 109.624 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.807 HG21 HD13 ' A' ' 67' ' ' LEU . 40.4 t -140.71 66.0 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 10.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 162.51 -94.19 0.12 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.467 1.104 . . . . 10.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.418 ' O ' ' NE ' ' A' ' 79' ' ' ARG . 2.1 m-20 -47.7 128.25 12.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 0.747 . . . . 10.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 9.2 tt -131.01 -51.55 1.04 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 10.0 109.3 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.543 ' HA2' ' CE2' ' A' ' 45' ' ' PHE . . . 170.92 160.91 20.61 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.495 1.122 . . . . 10.0 110.984 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.606 ' OD1' ' CD1' ' A' ' 45' ' ' PHE . 2.1 m-20 -86.09 150.53 24.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.53 0.782 . . . . 10.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.695 HG11 HD11 ' A' ' 117' ' ' LEU . 1.1 m -110.61 134.0 54.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 10.0 109.26 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.407 ' HA ' ' O ' ' A' ' 41' ' ' GLY . 90.2 m -107.5 147.58 30.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 10.0 110.379 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.636 ' HB3' ' HA ' ' A' ' 40' ' ' GLU . . . -86.56 175.63 8.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 10.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.441 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 11.6 t0 -83.69 -96.69 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 10.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.441 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 10.8 ptmt -135.33 8.53 3.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 10.0 109.263 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -157.5 25.43 0.29 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 10.0 109.308 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.611 ' CA ' ' HB1' ' A' ' 89' ' ' ALA . . . 97.05 -42.24 2.2 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.467 1.105 . . . . 10.0 110.958 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.432 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 21.6 t -39.27 98.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.471 0.748 . . . . 10.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.593 ' HB3' ' HB ' ' A' ' 35' ' ' ILE . . . -101.49 113.14 25.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 10.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.429 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 1.1 t70 -111.61 144.4 40.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 10.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.443 HG12 ' N ' ' A' ' 98' ' ' SER . 44.0 t -120.83 162.81 19.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.55 1.156 . . . . 10.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.443 ' N ' HG12 ' A' ' 97' ' ' VAL . 1.1 t -167.97 95.9 0.42 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 10.0 110.036 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 4.2 mt -125.86 143.26 39.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 10.0 109.322 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -125.4 86.63 2.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 10.0 110.275 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.476 ' O ' ' HA ' ' A' ' 28' ' ' PRO . 0.1 OUTLIER -106.9 137.69 44.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 10.0 109.288 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 77.0 p -116.77 31.92 6.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 10.0 110.044 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 98.2 t -106.09 -50.06 8.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 10.0 109.299 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.837 HG13 HG21 ' A' ' 112' ' ' ILE . 0.2 OUTLIER -68.89 -176.67 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 10.0 109.28 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.416 ' O ' ' N ' ' A' ' 111' ' ' SER . 0.9 OUTLIER -175.61 152.33 1.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 10.0 110.003 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.464 ' CD1' ' HG2' ' A' ' 22' ' ' GLN . 1.8 mp -89.99 7.23 38.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 10.0 109.342 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -93.76 -179.17 4.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 10.0 109.996 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -72.95 80.05 0.71 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.486 1.116 . . . . 10.0 110.982 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -167.9 -58.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 0.754 . . . . 10.0 109.325 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 48.2 m80 -112.57 -42.13 3.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 10.0 109.616 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.416 ' N ' ' O ' ' A' ' 105' ' ' SER . 37.2 t 45.89 93.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 10.0 109.992 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.837 HG21 HG13 ' A' ' 104' ' ' ILE . 30.6 pt -84.87 -19.8 8.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.426 1.079 . . . . 10.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.484 HD13 HG22 ' A' ' 149' ' ' ILE . 11.1 mm -54.81 129.7 16.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 10.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 121.03 2.04 11.25 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.508 1.13 . . . . 10.0 111.044 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.422 ' NH1' ' HA ' ' A' ' 112' ' ' ILE . 0.1 OUTLIER -93.32 136.04 33.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 0.751 . . . . 10.0 110.303 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.448 ' HB ' ' CG2' ' A' ' 148' ' ' VAL . 3.6 t -129.85 131.82 46.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 10.0 110.398 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.695 HD11 HG11 ' A' ' 87' ' ' VAL . 0.1 OUTLIER -83.72 77.98 9.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 10.0 109.327 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.603 HG21 ' HG2' ' A' ' 143' ' ' ARG . 2.9 p -99.77 126.08 53.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.12 . . . . 10.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 1.119 HG21 HD11 ' A' ' 38' ' ' LEU . 18.2 m -102.54 151.82 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 10.0 109.362 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.477 ' CG ' ' HA3' ' A' ' 44' ' ' GLY . 28.7 m170 -86.43 170.61 11.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 10.0 109.616 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.408 ' HB2' ' CB ' ' A' ' 142' ' ' SER . 0.0 OUTLIER -69.73 -15.92 63.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.576 1.172 . . . . 10.0 110.288 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.504 ' HB2' ' HB1' ' A' ' 140' ' ' ALA . 1.7 tttt -138.72 -157.77 0.8 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 10.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -85.32 -159.71 0.46 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 10.0 109.317 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.422 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 0.2 OUTLIER -162.37 97.59 1.0 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 10.0 109.302 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 125' ' ' ASP . . . . . 0.466 ' O ' ' N ' ' A' ' 127' ' ' GLY . 0.7 OUTLIER -130.61 101.16 5.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.132 . . . . 10.0 109.295 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.5 mp -68.94 54.1 0.09 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.453 1.096 . . . . 10.0 109.308 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 125' ' ' ASP . . . 171.95 71.06 0.04 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.535 1.147 . . . . 10.0 110.977 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -111.74 -30.42 7.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 0.756 . . . . 10.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 156.79 -41.2 0.55 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.535 1.147 . . . . 10.0 110.981 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -104.41 119.72 6.37 Favored Glycine 0 CA--C 1.529 0.967 0 N-CA-C 111.004 -0.838 . . . . 10.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' ASN . . . . . 0.495 ' O ' ' CB ' ' A' ' 132' ' ' GLU . 2.0 p-10 -100.82 107.5 19.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 0.754 . . . . 10.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.495 ' CB ' ' O ' ' A' ' 131' ' ' ASN . 10.8 tt0 161.05 -27.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 10.0 110.296 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -116.03 -34.45 4.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 10.0 110.32 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 9.4 p -96.45 -3.78 42.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 10.0 110.017 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -88.12 -25.17 23.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 10.0 110.42 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 9.5 pttt -103.12 -33.68 9.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 10.0 109.348 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 70.2 p -129.48 -91.78 0.46 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 10.0 110.409 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 171.97 40.71 0.04 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.525 1.141 . . . . 10.0 110.993 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 49.7 t30 52.6 22.46 2.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 0.758 . . . . 10.0 109.336 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.504 ' HB1' ' HB2' ' A' ' 122' ' ' LYS . . . -169.87 68.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 10.0 109.295 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -95.52 88.71 1.1 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.549 1.156 . . . . 10.0 110.971 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' SER . . . . . 0.408 ' CB ' ' HB2' ' A' ' 121' ' ' GLU . 0.3 OUTLIER -134.95 84.94 2.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 0.742 . . . . 10.0 110.025 179.943 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 143' ' ' ARG . . . . . 0.603 ' HG2' HG21 ' A' ' 118' ' ' VAL . 1.1 tmm_? -38.11 154.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 10.0 110.255 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.823 HD12 HG23 ' A' ' 119' ' ' VAL . 63.7 mt -130.4 -105.3 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 10.0 109.33 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 145' ' ' ALA . . . . . 0.617 ' HB3' HD12 ' A' ' 8' ' ' LEU . . . -87.49 175.21 8.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 10.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 7.6 p -148.35 70.27 1.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 10.0 108.329 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 147' ' ' GLY . . . . . 0.688 ' C ' ' HB1' ' A' ' 6' ' ' ALA . . . -70.61 63.86 0.85 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.497 1.123 . . . . 10.0 110.968 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.448 ' CG2' ' HB ' ' A' ' 116' ' ' THR . 2.3 t -58.97 115.45 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 0.769 . . . . 10.0 109.288 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 149' ' ' ILE . . . . . 0.564 HG12 ' CE1' ' A' ' 20' ' ' PHE . 1.7 mp -60.97 115.38 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 10.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -127.56 131.7 7.22 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.53 1.144 . . . . 10.0 111.029 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 17.9 mm -40.7 148.2 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 0.753 . . . . 10.0 109.257 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 152' ' ' ALA . . . . . 0.702 ' HB2' ' CG2' ' A' ' 5' ' ' VAL . . . -104.12 174.84 5.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 10.0 109.254 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 10.0 110.262 -179.953 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.523 ' CB ' ' HA ' ' A' ' 23' ' ' LYS . . . . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.301 -0.629 . . . . 10.0 109.301 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' THR . . . . . 1.05 HG21 HD12 ' A' ' 151' ' ' ILE . 2.0 m -132.7 157.54 44.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 10.0 110.382 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.458 ' CG ' ' O ' ' A' ' 20' ' ' PHE . 20.1 ttpt -140.08 110.67 6.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 10.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.914 ' HB3' ' HB2' ' A' ' 20' ' ' PHE . . . -84.22 168.44 15.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 10.0 109.32 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.491 HG23 ' CB ' ' A' ' 152' ' ' ALA . 2.3 t -143.22 159.48 17.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 10.0 109.272 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.703 ' HB3' HG23 ' A' ' 18' ' ' ILE . . . -152.68 92.29 1.65 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 10.0 109.336 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.2 m -84.21 95.91 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 10.0 109.31 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.798 HD13 ' H ' ' A' ' 147' ' ' GLY . 4.6 mm? -41.62 140.25 0.99 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 10.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.63 -67.1 0.76 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.164 . . . . 10.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 64.76 115.52 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.511 1.132 . . . . 10.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.2 -19.81 3.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 0.781 . . . . 10.0 109.261 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.517 ' N ' ' CD ' ' A' ' 13' ' ' PRO . . . 161.9 -49.53 0.34 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.483 1.115 . . . . 10.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.517 ' CD ' ' N ' ' A' ' 12' ' ' GLY . 18.2 Cg_endo -75.04 7.49 2.86 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.497 1.788 . . . . 10.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.472 HG11 ' HB2' ' A' ' 145' ' ' ALA . 2.7 t -140.12 152.92 22.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 10.0 109.299 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 176.84 54.72 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.105 . . . . 10.0 110.334 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.488 ' CA ' ' HA ' ' A' ' 35' ' ' ILE . . . -74.43 171.97 52.62 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.54 1.15 . . . . 10.0 111.002 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.434 HG13 ' C ' ' A' ' 16' ' ' GLY . 63.6 mt -142.84 105.1 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.456 0.739 . . . . 10.0 109.271 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 1.029 HD12 ' N ' ' A' ' 19' ' ' ASN . 0.1 OUTLIER -109.29 134.29 51.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 10.0 109.282 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 1.029 ' N ' HD12 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -122.22 143.6 49.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 10.0 109.283 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.914 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 2.2 m-85 -108.77 134.86 50.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 10.0 111.022 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.511 ' HB2' ' CH2' ' A' ' 32' ' ' TRP . 0.0 OUTLIER -128.55 125.62 38.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 10.0 110.319 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.643 ' HB2' HG22 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -141.0 86.18 2.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 10.0 110.325 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.523 ' HA ' ' CB ' ' A' ' 1' ' ' ALA . 8.2 mtpt -86.73 45.5 1.26 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 10.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.42 ' HB3' ' N ' ' A' ' 27' ' ' GLY . 0.8 OUTLIER -155.7 137.44 14.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 10.0 110.3 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -78.78 -11.59 59.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 10.0 109.962 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -155.56 32.63 0.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 10.0 109.327 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.42 ' N ' ' HB3' ' A' ' 24' ' ' GLU . . . -111.23 -167.94 18.75 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.5 1.125 . . . . 10.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.46 ' HA ' ' O ' ' A' ' 101' ' ' ASP . 18.4 Cg_endo -75.06 -174.75 2.06 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.444 1.76 . . . . 10.0 110.975 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.827 ' O ' HG23 ' A' ' 31' ' ' VAL . 85.3 t -134.97 92.2 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 10.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.506 ' O ' ' CZ3' ' A' ' 32' ' ' TRP . 16.4 mtpt -53.89 94.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 10.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.827 HG23 ' O ' ' A' ' 29' ' ' VAL . 90.4 t -96.07 129.12 46.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 10.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.511 ' CH2' ' HB2' ' A' ' 21' ' ' GLU . 17.3 p90 -161.36 141.36 10.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 10.0 108.021 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -152.32 -167.76 15.68 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.513 1.133 . . . . 10.0 110.979 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 60.3 p -156.56 121.13 4.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 0.792 . . . . 10.0 110.02 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.957 HG21 HD12 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -84.51 165.12 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 10.0 109.318 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.476 ' N ' ' CG2' ' A' ' 35' ' ' ILE . 66.3 mttt -154.46 118.78 4.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 10.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 122.7 -30.77 5.01 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.498 1.124 . . . . 10.0 110.982 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.957 HD12 HG21 ' A' ' 35' ' ' ILE . 3.0 mt -55.36 -166.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 0.731 . . . . 10.0 109.268 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.7 p -137.1 145.34 43.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.456 1.098 . . . . 10.0 110.423 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.703 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 5.1 tm-20 -53.68 96.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 10.0 110.294 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.453 ' O ' ' NE2' ' A' ' 43' ' ' HIS . . . -175.27 176.97 47.33 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.527 1.142 . . . . 10.0 110.965 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.8 HD23 ' OG1' ' A' ' 88' ' ' THR . 1.8 mt -92.62 128.4 38.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 0.781 . . . . 10.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.522 ' C ' ' HB2' ' A' ' 123' ' ' ALA . 0.0 OUTLIER -125.61 150.86 47.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 10.0 109.57 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.78 -163.67 0.04 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.476 1.11 . . . . 10.0 110.979 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.596 ' CD2' ' HA ' ' A' ' 83' ' ' ASP . 1.2 t80 -94.55 175.0 6.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 0.775 . . . . 10.0 111.016 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.417 ' C ' HG23 ' A' ' 47' ' ' VAL . 0.0 OUTLIER -120.91 73.55 1.03 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 10.0 109.588 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.465 HG23 ' CD2' ' A' ' 45' ' ' PHE . 21.7 t -152.44 88.05 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 10.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.611 ' CE1' ' NE2' ' A' ' 120' ' ' HIS . 3.0 m-70 -132.12 76.35 1.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 10.0 109.588 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.8 pm0 -177.46 -179.81 0.87 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 10.0 110.322 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.47 ' O ' ' CB ' ' A' ' 51' ' ' GLU . 1.7 tp10 -179.01 156.24 0.79 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 10.0 110.323 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.47 ' CB ' ' O ' ' A' ' 50' ' ' GLU . 2.5 tt0 83.73 -51.36 0.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 10.0 110.313 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 60.01 153.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 10.0 109.27 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 175.79 -36.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 10.0 109.304 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.651 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 1.0 OUTLIER -134.31 -44.56 0.77 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 10.0 110.396 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.651 ' HB2' ' O ' ' A' ' 54' ' ' THR . . . 165.95 -82.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 10.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 143.94 -102.55 0.28 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.446 1.091 . . . . 10.0 111.016 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 7.2 t 41.93 42.44 2.27 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.289 -1.004 . . . . 10.0 108.289 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.413 HG22 ' N ' ' A' ' 59' ' ' SER . 0.8 OUTLIER -93.52 -58.91 2.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 10.0 110.387 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.413 ' N ' HG22 ' A' ' 58' ' ' THR . 13.7 m 65.61 91.57 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 10.0 109.945 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -158.75 -50.17 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 10.0 109.313 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -168.37 119.74 0.85 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.439 1.087 . . . . 10.0 110.992 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 179.77 5.76 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.454 1.765 . . . . 10.0 111.028 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 8.9 p-80 -154.03 -45.37 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 10.0 109.612 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.523 ' CD2' ' HD2' ' A' ' 136' ' ' LYS . 25.8 m-85 56.51 -176.96 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 10.0 110.985 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.63 ' CB ' HG11 ' A' ' 81' ' ' VAL . 22.3 t30 -117.16 142.68 30.43 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 10.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 71.61 4.94 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.501 1.79 . . . . 10.0 111.008 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -151.98 -46.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 10.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.416 ' O ' ' OD2' ' A' ' 76' ' ' ASP . 0.2 OUTLIER -58.6 -34.3 70.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 10.0 110.009 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 75.39 -8.86 1.5 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 10.0 110.281 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.415 ' H ' ' C ' ' A' ' 68' ' ' SER . 0.0 OUTLIER 69.98 170.22 0.31 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 10.0 109.277 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.556 ' CD2' ' CB ' ' A' ' 75' ' ' LYS . 1.0 OUTLIER 50.64 50.28 19.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 10.0 109.633 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -61.46 133.46 47.88 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.532 1.145 . . . . 10.0 110.967 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 133.84 -126.09 4.14 Favored Glycine 0 CA--C 1.531 1.057 0 N-CA-C 110.973 -0.851 . . . . 10.0 110.973 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 0.21 9.15 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.51 1.795 . . . . 10.0 111.004 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.556 ' CB ' ' CD2' ' A' ' 71' ' ' HIS . 0.1 OUTLIER -130.57 35.89 3.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 10.0 109.273 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.449 ' CB ' ' O ' ' A' ' 75' ' ' LYS . 2.8 t0 160.12 127.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 10.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.407 ' O ' ' OE2' ' A' ' 77' ' ' GLU . 12.1 tp10 -102.46 -0.89 31.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 10.0 110.271 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.471 ' O ' ' C ' ' A' ' 79' ' ' ARG . 6.1 mm-40 -86.42 -74.77 0.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 10.0 110.316 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.471 ' C ' ' O ' ' A' ' 78' ' ' GLU . 0.0 OUTLIER 32.3 39.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.453 1.095 . . . . 10.0 110.293 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.455 ' N ' ' O ' ' A' ' 78' ' ' GLU . 53.7 t60 -98.85 -1.13 40.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 10.0 109.616 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.63 HG11 ' CB ' ' A' ' 65' ' ' ASN . 2.3 t -151.08 43.32 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 10.0 109.336 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -159.8 -122.61 0.66 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.513 1.133 . . . . 10.0 110.993 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.596 ' HA ' ' CD2' ' A' ' 45' ' ' PHE . 3.8 m-20 -116.29 146.34 42.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 0.752 . . . . 10.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.2 tp -82.24 -53.62 5.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 10.0 109.25 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -169.9 -133.16 1.55 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.499 1.124 . . . . 10.0 110.972 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 -126.6 143.35 51.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.435 0.727 . . . . 10.0 109.341 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -99.18 178.89 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 10.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.8 ' OG1' HD23 ' A' ' 42' ' ' LEU . 87.4 m -154.81 147.88 24.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 10.0 110.45 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.703 ' HB3' ' HA ' ' A' ' 40' ' ' GLU . . . -86.68 174.7 8.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 10.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.445 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 12.4 t0 -87.36 -97.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 10.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.445 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 39.9 pttt -137.31 10.09 2.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.086 . . . . 10.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -148.34 19.26 1.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 10.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.493 ' CA ' ' HB1' ' A' ' 89' ' ' ALA . . . 89.84 -27.73 7.83 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.483 1.114 . . . . 10.0 110.989 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.477 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 40.0 t -47.1 107.13 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.489 0.758 . . . . 10.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -113.05 117.3 31.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 10.0 109.289 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -111.89 147.27 36.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 10.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.466 HG12 ' N ' ' A' ' 98' ' ' SER . 93.3 t -121.94 163.36 20.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 10.0 109.317 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.466 ' N ' HG12 ' A' ' 97' ' ' VAL . 22.7 t -169.0 97.32 0.36 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 10.0 109.984 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.408 HG22 ' N ' ' A' ' 100' ' ' GLU . 3.4 mt -130.65 160.54 41.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 10.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.408 ' N ' HG22 ' A' ' 99' ' ' ILE . 3.9 mt-10 -127.29 88.05 2.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 10.0 110.28 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.46 ' O ' ' HA ' ' A' ' 28' ' ' PRO . 8.8 m-20 -87.89 117.86 27.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 10.0 109.266 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.434 ' CA ' ' HB3' ' A' ' 28' ' ' PRO . 1.1 p -111.18 21.33 16.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 10.0 110.018 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -110.79 -23.21 4.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 10.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.939 HD13 HD13 ' A' ' 112' ' ' ILE . 1.6 pp -107.48 179.5 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 10.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.496 ' N ' HD12 ' A' ' 104' ' ' ILE . 3.1 m -177.37 179.5 0.95 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 10.0 109.982 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.6 HD22 HD11 ' A' ' 113' ' ' ILE . 0.4 OUTLIER -93.89 38.03 1.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 10.0 109.258 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 111' ' ' SER . 0.4 OUTLIER -122.43 148.74 44.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 10.0 109.999 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.596 ' O ' ' CB ' ' A' ' 109' ' ' ASP . . . -46.29 147.62 2.62 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.531 1.144 . . . . 10.0 111.021 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.596 ' CB ' ' O ' ' A' ' 108' ' ' GLY . 18.6 t0 89.98 -37.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 0.768 . . . . 10.0 109.329 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.407 ' O ' HG23 ' A' ' 112' ' ' ILE . 57.3 m80 -124.51 3.09 8.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 10.0 109.617 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 107' ' ' SER . 79.2 p -38.13 114.16 0.34 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 10.0 109.984 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.939 HD13 HD13 ' A' ' 104' ' ' ILE . 34.9 pt -95.22 -32.03 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 10.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.6 HD11 HD22 ' A' ' 106' ' ' LEU . 31.0 mm -41.82 117.21 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.1 . . . . 10.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 116.6 27.82 2.7 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.451 1.095 . . . . 10.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.693 ' HB2' HD13 ' A' ' 149' ' ' ILE . 5.5 mmt180 -86.8 66.77 9.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 0.737 . . . . 10.0 110.302 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.579 ' OG1' HG22 ' A' ' 148' ' ' VAL . 55.3 m -41.94 94.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.441 1.088 . . . . 10.0 110.351 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.468 ' N ' ' O ' ' A' ' 115' ' ' ARG . 0.2 OUTLIER -70.4 111.54 6.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 10.0 109.293 179.952 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 145' ' ' ALA . 7.6 p -138.15 117.28 14.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 10.0 109.28 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 5.4 m -67.82 145.4 13.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 10.0 109.323 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.611 ' NE2' ' CE1' ' A' ' 48' ' ' HIS . 0.4 OUTLIER -84.48 137.54 33.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 10.0 109.549 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -43.95 -35.88 2.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 10.0 110.255 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 7.9 tttt -164.42 145.19 8.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 10.0 109.284 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.522 ' HB2' ' C ' ' A' ' 43' ' ' HIS . . . -73.56 -175.89 2.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 10.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.402 ' CG ' ' O ' ' A' ' 124' ' ' ASP . 34.8 t0 -93.09 24.98 3.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 10.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 50.68 34.22 9.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 10.0 109.28 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 17.9 mt 57.12 19.8 5.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 10.0 109.333 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 121.73 115.49 2.35 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.519 1.137 . . . . 10.0 111.01 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 2.4 pttp -110.49 -29.73 7.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 0.768 . . . . 10.0 109.33 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 130.4 -52.3 0.83 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.508 1.13 . . . . 10.0 110.973 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -38.27 152.36 0.03 OUTLIER Glycine 0 CA--C 1.529 0.964 0 N-CA-C 111.003 -0.839 . . . . 10.0 111.003 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' ASN . . . . . 0.498 ' O ' ' CB ' ' A' ' 132' ' ' GLU . 84.8 m-20 -133.02 130.85 39.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 0.768 . . . . 10.0 109.29 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.498 ' CB ' ' O ' ' A' ' 131' ' ' ASN . 0.0 OUTLIER 86.35 18.78 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 10.0 110.294 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -139.97 -72.56 0.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 10.0 110.3 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 83.9 p -82.52 -15.87 50.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 10.0 110.01 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' THR . . . . . 0.501 ' O ' ' CA ' ' A' ' 71' ' ' HIS . 17.3 p -68.71 -21.0 64.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 10.0 110.381 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.523 ' HD2' ' CD2' ' A' ' 64' ' ' PHE . 0.5 OUTLIER -109.07 -32.9 7.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 10.0 109.259 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 137' ' ' THR . . . . . 0.401 ' OG1' ' N ' ' A' ' 138' ' ' GLY . 81.6 p -121.94 -99.75 0.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 10.0 110.383 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 138' ' ' GLY . . . . . 0.401 ' N ' ' OG1' ' A' ' 137' ' ' THR . . . 174.58 38.98 0.04 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.52 1.138 . . . . 10.0 110.98 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 50.21 25.43 1.79 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 0.76 . . . . 10.0 109.356 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 141' ' ' GLY . . . -120.77 -57.98 1.85 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.486 1.116 . . . . 10.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 141' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 140' ' ' ALA . . . 36.79 91.97 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.477 1.111 . . . . 10.0 110.971 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -167.81 114.91 0.73 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 0.773 . . . . 10.0 109.976 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.4 mpt_? -84.19 141.36 31.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.097 . . . . 10.0 110.287 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.4 mp -125.64 -59.24 1.37 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 10.0 109.266 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 145' ' ' ALA . . . . . 0.472 ' HB2' HG11 ' A' ' 14' ' ' VAL . . . -110.74 170.51 8.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 10.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -155.87 69.95 0.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.578 1.174 . . . . 10.0 108.281 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 147' ' ' GLY . . . . . 0.798 ' H ' HD13 ' A' ' 8' ' ' LEU . . . -49.55 -48.91 34.4 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.51 1.131 . . . . 10.0 110.968 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.579 HG22 ' OG1' ' A' ' 116' ' ' THR . 3.6 t 65.12 126.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.476 0.75 . . . . 10.0 109.312 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 149' ' ' ILE . . . . . 0.767 ' N ' HD12 ' A' ' 149' ' ' ILE . 2.1 mp -89.22 118.7 35.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 10.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -132.45 127.53 4.89 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.558 1.161 . . . . 10.0 111.005 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 151' ' ' ILE . . . . . 1.05 HD12 HG21 ' A' ' 2' ' ' THR . 20.2 mm -42.33 143.34 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.522 0.777 . . . . 10.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 152' ' ' ALA . . . . . 0.491 ' CB ' HG23 ' A' ' 5' ' ' VAL . . . -142.56 164.58 29.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 10.0 109.301 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 10.0 110.298 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.525 ' H1 ' ' HA ' ' A' ' 23' ' ' LYS . . . . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.247 -0.649 . . . . 10.0 109.247 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.576 HG23 ' CD1' ' A' ' 151' ' ' ILE . 0.7 OUTLIER -85.58 120.08 26.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 10.0 110.394 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -108.98 106.72 16.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.113 . . . . 10.0 109.247 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 1.124 ' HB1' HG23 ' A' ' 149' ' ' ILE . . . -87.32 150.73 23.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 10.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.0 t -129.18 150.49 34.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 10.0 109.287 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.619 ' HB3' HG23 ' A' ' 18' ' ' ILE . . . -153.37 88.89 1.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 10.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.439 ' O ' HG13 ' A' ' 7' ' ' VAL . 6.2 p -84.12 101.8 9.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 10.0 109.271 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.673 HD11 ' HB3' ' A' ' 117' ' ' LEU . 0.8 OUTLIER -51.05 133.54 27.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 10.0 109.332 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.469 ' N ' ' HB1' ' A' ' 145' ' ' ALA . 0.2 OUTLIER -159.04 130.58 6.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 10.0 109.309 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 11' ' ' ASP . . . 177.88 -101.03 0.15 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.546 1.154 . . . . 10.0 110.951 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 10' ' ' GLY . 26.9 t0 -38.16 -51.82 1.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 0.758 . . . . 10.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.468 ' N ' ' CD ' ' A' ' 13' ' ' PRO . . . 146.23 -53.02 0.56 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.467 1.104 . . . . 10.0 111.018 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.481 ' O ' ' N ' ' A' ' 15' ' ' GLN . 18.3 Cg_endo -75.01 -41.34 0.67 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.532 1.806 . . . . 10.0 111.02 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.461 HG12 ' O ' ' A' ' 14' ' ' VAL . 55.6 t -62.3 79.15 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 10.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.481 ' N ' ' O ' ' A' ' 13' ' ' PRO . 0.0 OUTLIER -108.73 37.72 2.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 10.0 110.275 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.478 ' N ' ' HB2' ' A' ' 8' ' ' LEU . . . -56.37 164.65 5.15 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.556 1.16 . . . . 10.0 111.012 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.412 HG13 ' O ' ' A' ' 16' ' ' GLY . 39.4 mt -141.67 102.98 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.433 0.725 . . . . 10.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.796 HD12 ' N ' ' A' ' 19' ' ' ASN . 0.1 OUTLIER -109.13 129.61 63.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.12 . . . . 10.0 109.27 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.796 ' N ' HD12 ' A' ' 18' ' ' ILE . 0.1 OUTLIER -125.26 141.53 52.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.145 . . . . 10.0 109.29 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.959 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 12.0 m-85 -113.22 111.88 22.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 10.0 110.968 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 30' ' ' LYS . 22.5 tt0 -110.71 139.77 45.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 10.0 110.305 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 37.6 tt0 -139.98 80.09 1.75 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 10.0 110.324 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.525 ' HA ' ' H1 ' ' A' ' 1' ' ' ALA . 1.1 tttt -73.62 58.36 0.6 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 10.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.481 ' O ' ' CB ' ' A' ' 25' ' ' SER . 0.2 OUTLIER -155.88 -48.0 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 10.0 110.302 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.481 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 1.1 t 83.39 -8.56 1.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 10.0 109.997 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -159.83 27.32 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 10.0 109.307 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -129.93 -154.96 8.24 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.486 1.117 . . . . 10.0 110.972 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.462 ' HA ' ' O ' ' A' ' 101' ' ' ASP . 18.3 Cg_endo -74.99 136.68 20.74 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.482 1.78 . . . . 10.0 111.018 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.429 ' O ' HG23 ' A' ' 31' ' ' VAL . 97.4 t -91.61 114.36 28.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 10.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 21' ' ' GLU . 4.8 mttm -72.0 93.82 1.42 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 10.0 109.278 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.581 HG22 ' CD2' ' A' ' 20' ' ' PHE . 25.0 t -88.85 130.1 38.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 10.0 109.305 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -159.51 148.65 18.11 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.012 -1.107 . . . . 10.0 108.012 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.448 ' O ' ' HA ' ' A' ' 96' ' ' ASP . . . -164.69 -172.44 32.16 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.493 1.121 . . . . 10.0 110.967 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.7 p -156.9 121.45 4.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 0.755 . . . . 10.0 110.057 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.927 ' O ' HG13 ' A' ' 94' ' ' VAL . 0.6 OUTLIER -90.71 165.82 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 10.0 109.342 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.606 ' HG2' HG22 ' A' ' 94' ' ' VAL . 53.2 mttt -149.38 115.36 5.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 10.0 109.258 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.523 ' O ' ' N ' ' A' ' 39' ' ' THR . . . 127.0 -48.22 0.98 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.522 1.139 . . . . 10.0 110.974 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.988 HD11 HG21 ' A' ' 119' ' ' VAL . 1.1 mp -58.09 81.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 0.774 . . . . 10.0 109.361 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.523 ' N ' ' O ' ' A' ' 37' ' ' GLY . 71.9 p -37.67 153.96 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 10.0 110.429 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.928 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 6.6 pt-20 -44.02 125.45 4.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 10.0 110.317 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.447 ' O ' ' CD2' ' A' ' 43' ' ' HIS . . . 141.25 170.97 12.45 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.451 1.094 . . . . 10.0 111.006 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.407 ' HA ' ' O ' ' A' ' 87' ' ' VAL . 8.0 mp -72.1 155.66 40.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 0.753 . . . . 10.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.912 ' CG ' HD23 ' A' ' 38' ' ' LEU . 81.5 m-70 -154.47 75.05 0.98 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 10.0 109.631 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 43' ' ' HIS . . . 32.96 -138.3 0.11 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.467 1.104 . . . . 10.0 110.983 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.648 ' CE1' ' NE2' ' A' ' 46' ' ' HIS . 33.0 t80 -150.42 174.02 13.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 0.749 . . . . 10.0 110.973 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.648 ' NE2' ' CE1' ' A' ' 45' ' ' PHE . 0.1 OUTLIER -94.94 174.46 7.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 10.0 109.586 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.456 HG23 ' C ' ' A' ' 46' ' ' HIS . 4.2 t 74.81 60.37 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 10.0 109.265 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.451 ' O ' ' CG ' ' A' ' 48' ' ' HIS . 15.4 p80 -150.1 108.51 3.79 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.536 1.148 . . . . 10.0 109.559 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.435 ' CB ' ' HB3' ' A' ' 62' ' ' PRO . 0.5 OUTLIER -97.66 91.19 5.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 10.0 110.308 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -120.37 72.85 0.96 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 10.0 110.251 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -178.1 -174.02 0.4 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 10.0 110.279 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.472 ' O ' ' CB ' ' A' ' 53' ' ' ASN . 16.3 t70 178.24 132.49 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 10.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.472 ' CB ' ' O ' ' A' ' 52' ' ' ASP . 8.2 t30 79.66 50.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 10.0 109.268 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.547 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 8.1 t -98.09 -45.59 6.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 10.0 110.38 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.547 ' HB3' ' O ' ' A' ' 54' ' ' THR . . . 73.85 118.47 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 10.0 109.231 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 110.89 -42.27 2.01 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.474 1.108 . . . . 10.0 111.03 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.7 t -95.34 -147.71 0.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.284 -1.006 . . . . 10.0 108.284 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 72.0 p -141.27 117.57 10.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 10.0 110.427 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -163.37 83.57 0.48 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 10.0 109.983 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -119.8 -40.19 2.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 10.0 109.278 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -145.77 99.69 0.21 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.515 1.134 . . . . 10.0 111.019 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.435 ' HB3' ' CB ' ' A' ' 49' ' ' GLU . 18.2 Cg_endo -75.04 132.45 15.38 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.504 1.791 . . . . 10.0 110.976 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -148.29 76.52 1.37 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 10.0 109.598 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -59.78 -156.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 10.0 110.986 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -94.1 119.35 66.81 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 10.0 109.292 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 78.79 2.82 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.508 1.794 . . . . 10.0 111.012 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.501 ' O ' ' C ' ' A' ' 68' ' ' SER . 0.4 OUTLIER -174.82 -42.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 10.0 109.281 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.501 ' C ' ' O ' ' A' ' 67' ' ' LEU . 5.1 t -29.94 -77.28 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.536 1.148 . . . . 10.0 109.981 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 71.66 -59.22 0.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 10.0 110.264 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.408 ' O ' ' O ' ' A' ' 71' ' ' HIS . 3.4 mttm -118.06 -175.39 2.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 10.0 109.341 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.446 ' N ' ' O ' ' A' ' 135' ' ' THR . 0.0 OUTLIER -48.24 -97.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 10.0 109.604 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.432 ' HA2' ' OD1' ' A' ' 76' ' ' ASP . . . 121.71 144.77 6.95 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.485 1.116 . . . . 10.0 111.024 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 138.9 -134.29 6.69 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 111.02 -0.832 . . . . 10.0 111.02 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 1.87 7.22 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.533 1.807 . . . . 10.0 111.043 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.727 ' HE3' HD13 ' A' ' 126' ' ' LEU . 0.2 OUTLIER -140.6 55.13 1.59 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 10.0 109.288 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.538 ' CB ' ' O ' ' A' ' 75' ' ' LYS . 0.2 OUTLIER 152.86 122.24 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 10.0 109.284 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.429 ' OE1' ' C ' ' A' ' 77' ' ' GLU . 0.3 OUTLIER -85.28 -9.88 57.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 10.0 110.342 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.505 ' N ' ' OD1' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -57.89 -156.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 10.0 110.298 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.5 ' CB ' ' HA ' ' A' ' 68' ' ' SER . 0.0 OUTLIER -104.46 157.12 17.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 10.0 110.272 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.46 ' C ' HG12 ' A' ' 81' ' ' VAL . 1.9 t-80 -112.61 49.88 0.9 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 10.0 109.57 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.622 HG22 ' O ' ' A' ' 81' ' ' VAL . 4.8 p 43.55 45.9 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.102 . . . . 10.0 109.348 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.408 ' O ' ' CB ' ' A' ' 83' ' ' ASP . . . 169.63 -28.33 0.13 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.443 1.089 . . . . 10.0 111.037 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.463 ' O ' ' CD2' ' A' ' 84' ' ' LEU . 12.1 t0 75.45 83.91 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 0.755 . . . . 10.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.576 ' HB2' ' CZ ' ' A' ' 45' ' ' PHE . 0.1 OUTLIER 175.28 -80.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 10.0 109.308 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.545 ' C ' HD21 ' A' ' 86' ' ' ASN . . . 156.0 -119.98 0.96 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.458 1.099 . . . . 10.0 111.02 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.545 HD21 ' C ' ' A' ' 85' ' ' GLY . 5.4 m120 -135.88 134.63 38.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.764 . . . . 10.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.407 ' O ' ' HA ' ' A' ' 42' ' ' LEU . 34.8 m -86.33 151.53 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 10.0 109.282 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -134.8 148.29 50.16 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 10.0 110.368 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.928 ' HB3' ' HA ' ' A' ' 40' ' ' GLU . . . -85.15 173.56 10.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 10.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.424 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 8.5 t0 -88.39 -98.08 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 10.0 109.279 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.424 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 29.0 pttt -137.61 11.69 2.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 10.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -137.72 13.56 2.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 10.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.475 ' HA2' ' O ' ' A' ' 38' ' ' LEU . . . 84.64 -6.58 77.09 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.485 1.116 . . . . 10.0 111.009 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.927 HG13 ' O ' ' A' ' 35' ' ' ILE . 96.7 t -79.1 136.19 24.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.503 0.766 . . . . 10.0 109.352 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -124.94 117.58 24.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 10.0 109.317 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.448 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 1.5 p-10 -102.04 152.22 21.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 10.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 46.5 t -127.32 159.43 37.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 10.0 109.344 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 51.0 p -169.31 92.68 0.26 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 10.0 109.994 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 32.2 mt -136.57 158.88 37.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 10.0 109.281 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.415 ' O ' ' CG ' ' A' ' 100' ' ' GLU . 1.5 pt-20 -126.56 96.03 4.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 10.0 110.321 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.462 ' O ' ' HA ' ' A' ' 28' ' ' PRO . 1.2 m-20 -92.82 131.95 37.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 10.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 15.2 p -113.03 -47.06 3.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 10.0 109.981 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 85.6 t -44.92 -52.73 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 10.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.778 ' C ' HD12 ' A' ' 104' ' ' ILE . 1.7 pp -68.94 177.11 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 10.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.05 158.08 41.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 10.0 110.002 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -76.93 -28.44 55.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 10.0 109.258 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.68 158.8 40.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 10.0 110.018 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 124.98 -82.87 0.35 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.476 1.11 . . . . 10.0 110.985 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -135.85 -49.96 0.7 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 0.744 . . . . 10.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 32.4 m80 -92.62 36.59 1.01 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.1 . . . . 10.0 109.585 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 46.3 t -48.97 117.3 2.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 10.0 109.995 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.472 HD12 ' CE2' ' A' ' 20' ' ' PHE . 13.3 pt -85.24 -24.44 6.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 10.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 8.1 mt -49.33 132.88 7.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 10.0 109.275 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 102.22 22.91 9.43 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.502 1.126 . . . . 10.0 110.977 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 117' ' ' LEU . 22.6 mtt180 -84.02 79.69 9.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 0.747 . . . . 10.0 110.312 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.91 HG23 HG23 ' A' ' 148' ' ' VAL . 15.1 m -54.15 89.12 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 10.0 110.432 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.673 ' HB3' HD11 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -61.35 112.94 2.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 10.0 109.318 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 145' ' ' ALA . 8.0 p -144.22 107.75 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 10.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.988 HG21 HD11 ' A' ' 38' ' ' LEU . 29.5 m -70.99 178.6 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 10.0 109.332 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.426 ' CG ' ' HA3' ' A' ' 44' ' ' GLY . 10.4 m170 -98.98 161.25 13.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 10.0 109.629 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.4 ' CB ' ' HB2' ' A' ' 142' ' ' SER . 3.8 tt0 -94.83 26.76 3.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 10.0 110.293 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 179.79 157.79 0.67 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 10.0 109.31 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -81.13 178.93 8.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 10.0 109.335 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -116.75 90.75 3.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 10.0 109.3 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.52 -20.84 14.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 10.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.727 HD13 ' HE3' ' A' ' 75' ' ' LYS . 7.7 mt 58.29 19.32 6.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 10.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 172.7 76.72 0.05 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.497 1.123 . . . . 10.0 111.003 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 11.4 mttm -94.47 -24.01 17.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 0.779 . . . . 10.0 109.279 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 127.02 -38.13 2.23 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.512 1.132 . . . . 10.0 111.017 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -68.34 -169.63 5.39 Favored Glycine 0 CA--C 1.531 1.047 0 N-CA-C 110.994 -0.842 . . . . 10.0 110.994 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' ASN . . . . . 0.436 ' HA ' ' CG2' ' A' ' 135' ' ' THR . 1.1 m-80 -152.93 144.22 23.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 0.775 . . . . 10.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 73.98 29.71 1.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 10.0 110.304 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -154.37 -62.2 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 10.0 110.28 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 90.5 p -87.67 -12.2 46.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 10.0 110.007 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 71' ' ' HIS . 12.4 p -78.98 -17.82 54.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 10.0 110.42 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.77 -31.86 7.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 10.0 109.313 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 137' ' ' THR . . . . . 0.429 ' OG1' ' N ' ' A' ' 138' ' ' GLY . 59.2 p -138.71 -102.58 0.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 10.0 110.402 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 138' ' ' GLY . . . . . 0.429 ' N ' ' OG1' ' A' ' 137' ' ' THR . . . -160.69 28.07 0.31 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.482 1.113 . . . . 10.0 110.965 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 50.25 40.86 23.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 0.754 . . . . 10.0 109.319 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 141' ' ' GLY . . . -127.24 -61.96 1.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 10.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 141' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 140' ' ' ALA . . . 36.78 88.96 0.01 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.455 1.097 . . . . 10.0 111.001 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 142' ' ' SER . . . . . 0.4 ' HB2' ' CB ' ' A' ' 121' ' ' GLU . 4.5 m -154.06 109.82 3.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 0.742 . . . . 10.0 109.983 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 15.3 mtp180 -61.91 172.05 1.47 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 10.0 110.336 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.543 HD13 HG23 ' A' ' 119' ' ' VAL . 2.6 mp -146.99 -71.55 0.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 10.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 145' ' ' ALA . . . . . 0.512 ' O ' HG23 ' A' ' 118' ' ' VAL . . . -121.7 167.38 13.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 10.0 109.344 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 146' ' ' CYS . . . . . 0.469 ' HB2' ' CG2' ' A' ' 116' ' ' THR . 0.6 OUTLIER -144.44 69.28 1.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 10.0 108.302 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 147' ' ' GLY . . . . . 0.418 ' H ' HD13 ' A' ' 8' ' ' LEU . . . -46.96 -51.76 12.97 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.485 1.115 . . . . 10.0 111.014 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.91 HG23 HG23 ' A' ' 116' ' ' THR . 3.8 t 65.91 138.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 0.779 . . . . 10.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 149' ' ' ILE . . . . . 1.124 HG23 ' HB1' ' A' ' 4' ' ' ALA . 2.5 mp -91.42 130.13 41.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 10.0 109.261 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -139.18 129.08 4.26 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.508 1.13 . . . . 10.0 111.034 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 151' ' ' ILE . . . . . 0.576 ' CD1' HG23 ' A' ' 2' ' ' THR . 23.1 mm -47.93 139.02 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.559 0.799 . . . . 10.0 109.273 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -141.28 171.36 14.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 10.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 10.0 110.296 -179.985 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.744 ' H1 ' ' HA ' ' A' ' 23' ' ' LYS . . . . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.316 -0.624 . . . . 10.0 109.316 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.604 ' CG2' ' CD1' ' A' ' 151' ' ' ILE . 27.9 m -85.21 79.17 9.64 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.094 . . . . 10.0 110.37 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.471 ' HA ' ' O ' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -84.68 120.86 26.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 10.0 109.313 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.635 ' HB3' ' HB2' ' A' ' 20' ' ' PHE . . . -107.01 164.33 12.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 10.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.879 HG23 ' CB ' ' A' ' 152' ' ' ALA . 17.6 t -132.79 166.54 29.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 10.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.839 ' HB3' HG23 ' A' ' 18' ' ' ILE . . . -156.64 95.82 1.58 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 10.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.664 ' O ' HG13 ' A' ' 7' ' ' VAL . 10.9 p -81.07 89.68 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 10.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 1.109 HD12 ' HB1' ' A' ' 145' ' ' ALA . 2.3 mm? -37.9 151.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 10.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 50.5 tttt -178.97 130.43 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 10.0 109.27 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -171.25 -104.07 0.17 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.507 1.129 . . . . 10.0 111.013 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.872 ' HB2' HD22 ' A' ' 144' ' ' LEU . 35.2 t0 -44.99 -68.06 0.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 0.769 . . . . 10.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.465 ' N ' ' CD ' ' A' ' 13' ' ' PRO . . . 163.0 -53.05 0.3 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.485 1.115 . . . . 10.0 110.983 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.465 ' CD ' ' N ' ' A' ' 12' ' ' GLY . 18.3 Cg_endo -74.98 -13.4 21.46 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.525 1.802 . . . . 10.0 110.995 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.513 HG11 ' HB2' ' A' ' 145' ' ' ALA . 0.5 OUTLIER -96.65 116.55 39.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 10.0 109.285 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -147.37 62.03 1.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 10.0 110.318 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.473 ' CA ' ' HA ' ' A' ' 35' ' ' ILE . . . -60.28 175.31 4.38 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.51 1.131 . . . . 10.0 110.974 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 53.7 mt -141.75 95.6 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.495 0.762 . . . . 10.0 109.288 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.962 HD12 ' N ' ' A' ' 19' ' ' ASN . 0.1 OUTLIER -107.77 136.5 42.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 10.0 109.272 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.962 ' N ' HD12 ' A' ' 18' ' ' ILE . 0.1 OUTLIER -130.92 147.31 52.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 10.0 109.308 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.759 ' CE1' HG13 ' A' ' 31' ' ' VAL . 2.8 m-85 -113.82 144.59 42.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.44 1.088 . . . . 10.0 111.009 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -140.25 143.34 35.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 10.0 110.292 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.639 ' CD ' HG22 ' A' ' 29' ' ' VAL . 4.4 tp60 -153.67 70.15 0.83 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 10.0 110.313 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.744 ' HA ' ' H1 ' ' A' ' 1' ' ' ALA . 0.5 OUTLIER -83.93 48.8 1.51 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 10.0 109.292 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.419 ' HB3' ' N ' ' A' ' 27' ' ' GLY . 10.9 mm-40 -155.78 142.63 18.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 10.0 110.321 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.8 m -81.68 -11.89 58.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 10.0 109.964 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -155.51 35.95 0.37 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 10.0 109.281 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.419 ' N ' ' HB3' ' A' ' 24' ' ' GLU . . . -113.9 171.26 13.7 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.48 1.112 . . . . 10.0 110.973 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.451 ' HA ' ' O ' ' A' ' 101' ' ' ASP . 18.3 Cg_endo -74.96 147.89 34.72 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.53 1.805 . . . . 10.0 111.017 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.89 ' O ' HG23 ' A' ' 31' ' ' VAL . 38.6 t -84.96 92.52 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 10.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.463 ' O ' ' CZ3' ' A' ' 32' ' ' TRP . 26.6 mttt -53.72 98.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 10.0 109.312 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.89 HG23 ' O ' ' A' ' 29' ' ' VAL . 59.1 t -103.01 124.57 57.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 10.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.463 ' CZ3' ' O ' ' A' ' 30' ' ' LYS . 33.1 p90 -148.76 141.37 24.44 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.999 -1.111 . . . . 10.0 107.999 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.409 ' O ' ' HA ' ' A' ' 96' ' ' ASP . . . -153.78 -174.65 24.21 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.454 1.096 . . . . 10.0 110.993 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.7 t -155.57 120.88 4.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 0.77 . . . . 10.0 109.973 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.725 HG21 HD13 ' A' ' 38' ' ' LEU . 0.5 OUTLIER -84.01 160.51 3.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 10.0 109.318 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.523 ' CG ' ' O ' ' A' ' 35' ' ' ILE . 49.9 mttt -156.77 103.61 2.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 10.0 109.283 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.431 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 161.56 -56.82 0.31 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.473 1.108 . . . . 10.0 110.994 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.725 HD13 HG21 ' A' ' 35' ' ' ILE . 1.1 mp -57.96 -156.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 0.742 . . . . 10.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.41 ' CA ' ' CA ' ' A' ' 93' ' ' GLY . 50.2 p -149.93 154.07 37.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 10.0 110.422 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.583 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 4.8 tt0 -40.37 115.75 0.59 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 10.0 110.314 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.513 ' C ' HD13 ' A' ' 42' ' ' LEU . . . 160.02 -148.91 18.01 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.474 1.109 . . . . 10.0 111.011 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.513 HD13 ' C ' ' A' ' 41' ' ' GLY . 0.4 OUTLIER -104.93 166.67 10.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 0.765 . . . . 10.0 109.31 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.562 ' CG ' HD22 ' A' ' 38' ' ' LEU . 34.4 m-70 -141.85 161.69 37.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 10.0 109.624 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.49 ' HA3' ' CG ' ' A' ' 120' ' ' HIS . . . -52.43 -99.51 0.01 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.471 1.107 . . . . 10.0 111.041 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.459 ' O ' ' NH2' ' A' ' 143' ' ' ARG . 24.0 t80 177.42 156.14 0.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 0.79 . . . . 10.0 110.967 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.507 ' ND1' HD13 ' A' ' 117' ' ' LEU . 0.0 OUTLIER -87.43 176.09 7.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 10.0 109.639 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.402 ' HB ' ' O ' ' A' ' 46' ' ' HIS . 11.5 t 74.21 129.21 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 10.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.443 ' O ' ' CG ' ' A' ' 48' ' ' HIS . 2.6 p-80 -161.48 116.6 2.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 10.0 109.618 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 72.13 148.96 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 10.0 110.235 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.13 123.32 24.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 10.0 110.29 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 76.94 -175.65 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 10.0 110.33 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -163.02 144.06 9.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 10.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 34.0 m-80 -168.91 38.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 10.0 109.344 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.564 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 3.1 t -126.71 -53.52 1.44 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 10.0 110.393 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.564 ' HB3' ' O ' ' A' ' 54' ' ' THR . . . 75.61 -57.82 0.57 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 10.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -67.68 -32.32 78.04 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.507 1.13 . . . . 10.0 110.979 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 5.9 m 64.87 129.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.28 -1.007 . . . . 10.0 108.28 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 56.8 p -119.45 -149.59 0.44 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 10.0 110.444 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 63.3 p -123.69 81.98 1.96 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 10.0 109.961 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -103.65 -67.96 0.86 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.557 1.161 . . . . 10.0 109.27 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 179.21 89.21 0.07 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.461 1.101 . . . . 10.0 111.009 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 111.14 3.26 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.515 1.797 . . . . 10.0 111.015 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.3 p80 -155.14 42.38 0.45 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 10.0 109.6 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 43.55 -163.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 10.0 111.011 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.998 ' HB2' HG21 ' A' ' 81' ' ' VAL . 21.4 m-80 -87.42 156.49 53.76 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 10.0 109.331 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 61.24 5.62 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.48 1.779 . . . . 10.0 110.947 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -147.98 -44.57 0.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 10.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.47 ' O ' ' HB2' ' A' ' 69' ' ' ARG . 57.0 p -64.09 -17.62 63.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 10.0 109.975 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.47 ' HB2' ' O ' ' A' ' 68' ' ' SER . 83.4 mtt180 68.13 -62.88 0.35 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.504 1.128 . . . . 10.0 110.276 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 68' ' ' SER . 16.4 mttt -155.0 171.7 19.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.575 1.172 . . . . 10.0 109.317 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.466 ' CG ' ' O ' ' A' ' 134' ' ' SER . 0.0 OUTLIER -58.13 173.29 0.36 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 10.0 109.573 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 177.1 -149.0 9.2 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.502 1.126 . . . . 10.0 110.991 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -101.92 -120.99 4.78 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.009 -0.836 . . . . 10.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -67.91 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.519 1.8 . . . . 10.0 111.002 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 177.76 70.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 10.0 109.315 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -142.81 -49.5 0.34 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 10.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.404 ' O ' ' CB ' ' A' ' 78' ' ' GLU . 3.0 tt0 -99.91 -1.19 37.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 10.0 110.268 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.404 ' CB ' ' O ' ' A' ' 77' ' ' GLU . 1.0 OUTLIER 166.99 -174.83 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.454 1.096 . . . . 10.0 110.305 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.4 mtt-85 58.53 69.84 0.7 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 10.0 110.323 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -111.53 12.91 21.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 10.0 109.581 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.998 HG21 ' HB2' ' A' ' 65' ' ' ASN . 1.4 p -102.51 -46.12 10.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 10.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.438 ' N ' ' CG1' ' A' ' 81' ' ' VAL . . . -109.97 -39.23 1.58 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.458 1.099 . . . . 10.0 110.99 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.444 ' O ' ' CB ' ' A' ' 84' ' ' LEU . 4.2 m-20 62.68 -160.23 0.31 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 0.769 . . . . 10.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.444 ' CB ' ' O ' ' A' ' 83' ' ' ASP . 0.9 OUTLIER 83.42 -63.72 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.44 1.088 . . . . 10.0 109.321 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 110.06 -124.98 7.35 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.492 1.12 . . . . 10.0 110.994 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -100.46 174.24 6.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 0.781 . . . . 10.0 109.342 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.429 ' O ' ' HA ' ' A' ' 42' ' ' LEU . 2.2 t -116.61 158.81 16.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 10.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 12.3 m -121.42 146.42 46.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 10.0 110.416 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.61 ' HB1' ' C ' ' A' ' 93' ' ' GLY . . . -100.55 174.8 5.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 10.0 109.338 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.453 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 7.9 t0 -80.06 -96.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 10.0 109.325 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.453 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 51.4 pttt -137.3 12.08 3.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 10.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -159.58 28.17 0.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 10.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.61 ' C ' ' HB1' ' A' ' 89' ' ' ALA . . . 93.13 -40.77 2.77 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.502 1.126 . . . . 10.0 111.007 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.569 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 46.9 t -39.88 112.23 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.477 0.751 . . . . 10.0 109.337 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.412 ' H ' HG22 ' A' ' 35' ' ' ILE . . . -112.74 117.16 31.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 10.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.409 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 6.3 p-10 -102.67 149.26 24.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 10.0 109.302 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.521 HG12 HD12 ' A' ' 99' ' ' ILE . 18.4 t -131.08 156.13 42.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 10.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 12.9 t -174.0 96.11 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 10.0 109.978 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.521 HD12 HG12 ' A' ' 97' ' ' VAL . 2.0 mp -131.57 165.83 30.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 10.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.482 ' N ' HG22 ' A' ' 99' ' ' ILE . 4.3 pt-20 -130.24 90.8 3.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 10.0 110.29 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.451 ' O ' ' HA ' ' A' ' 28' ' ' PRO . 32.2 m-20 -96.87 125.86 41.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 10.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.86 -29.31 11.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 10.0 109.956 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 60.0 t -57.79 -50.42 77.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 10.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 1.011 HD13 HG21 ' A' ' 112' ' ' ILE . 1.8 pp -77.29 169.18 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 10.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 175.18 170.29 0.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 10.0 109.993 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.459 HD23 HG13 ' A' ' 113' ' ' ILE . 0.2 OUTLIER -90.26 54.03 2.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 10.0 109.317 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -107.57 167.62 9.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 10.0 110.048 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -79.69 52.93 4.24 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.483 1.115 . . . . 10.0 110.984 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -169.6 -51.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 0.782 . . . . 10.0 109.284 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.403 ' O ' ' C ' ' A' ' 111' ' ' SER . 6.0 m80 -110.89 24.35 13.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 10.0 109.557 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 110' ' ' HIS . 54.9 p -38.97 136.57 0.77 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 10.0 110.014 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 1.011 HG21 HD13 ' A' ' 104' ' ' ILE . 28.5 pt -104.29 -34.48 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 10.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.459 HG13 HD23 ' A' ' 106' ' ' LEU . 8.2 mt -44.77 123.25 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 10.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 115.69 6.04 17.59 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.507 1.13 . . . . 10.0 111.053 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.407 ' O ' ' CD1' ' A' ' 149' ' ' ILE . 2.2 mtt180 -96.04 71.32 2.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 0.797 . . . . 10.0 110.319 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.57 ' HB ' HG22 ' A' ' 148' ' ' VAL . 2.0 t -61.93 141.95 57.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 10.0 110.395 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.736 ' O ' HD11 ' A' ' 8' ' ' LEU . 0.4 OUTLIER -88.17 79.44 7.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.128 . . . . 10.0 109.281 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.724 HG13 ' O ' ' A' ' 145' ' ' ALA . 2.6 t -78.21 144.44 11.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 10.0 109.314 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.41 HG22 ' HB3' ' A' ' 145' ' ' ALA . 33.9 m -141.45 130.79 24.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 10.0 109.312 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.49 ' CG ' ' HA3' ' A' ' 44' ' ' GLY . 8.6 m170 -84.94 157.36 20.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 10.0 109.586 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -49.98 -45.07 51.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 10.0 110.311 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.659 ' HB3' ' HB1' ' A' ' 140' ' ' ALA . 0.4 OUTLIER -149.04 156.91 42.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.15 . . . . 10.0 109.282 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.406 ' HB2' ' N ' ' A' ' 43' ' ' HIS . . . -63.82 -165.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 10.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.517 ' O ' ' CB ' ' A' ' 125' ' ' ASP . 3.5 t0 -111.08 -83.43 0.57 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 10.0 109.345 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' ASP . . . . . 0.517 ' CB ' ' O ' ' A' ' 124' ' ' ASP . 3.0 m-20 154.4 44.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 10.0 109.273 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 54.1 mt 42.1 27.66 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 10.0 109.293 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' GLY . . . . . 0.441 ' N ' ' C ' ' A' ' 125' ' ' ASP . . . 103.16 126.25 5.82 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.541 1.15 . . . . 10.0 110.99 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 4.2 pttt -102.88 -26.99 12.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 0.794 . . . . 10.0 109.328 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 120.5 -51.48 0.77 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.518 1.136 . . . . 10.0 110.984 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -50.56 -178.58 0.02 OUTLIER Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.992 -0.843 . . . . 10.0 110.992 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' ASN . . . . . 0.492 ' O ' ' CB ' ' A' ' 132' ' ' GLU . 39.3 m-20 -149.18 147.4 28.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 0.751 . . . . 10.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.492 ' CB ' ' O ' ' A' ' 131' ' ' ASN . 16.3 tt0 85.07 30.38 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 10.0 110.29 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -164.89 -54.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 10.0 110.239 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' SER . . . . . 0.466 ' O ' ' CG ' ' A' ' 71' ' ' HIS . 2.0 p -93.25 -23.51 18.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 10.0 109.969 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 56.1 p -78.43 -10.09 59.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 10.0 110.416 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -110.9 -37.82 5.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 10.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 58.5 p -130.78 -98.58 0.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 10.0 110.433 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' GLY . . . . . 0.447 ' C ' ' N ' ' A' ' 140' ' ' ALA . . . -167.55 29.51 0.17 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.469 1.105 . . . . 10.0 111.027 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 139' ' ' ASN . . . . . 0.433 ' ND2' ' O ' ' A' ' 139' ' ' ASN . 30.9 t30 39.18 31.4 0.05 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 0.799 . . . . 10.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.659 ' HB1' ' HB3' ' A' ' 122' ' ' LYS . . . -128.55 -56.66 1.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 10.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -154.87 -126.19 1.01 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.478 1.111 . . . . 10.0 111.027 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 30.5 t 177.08 172.66 0.48 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 0.768 . . . . 10.0 109.989 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' ARG . . . . . 0.664 ' CD ' HG11 ' A' ' 118' ' ' VAL . 0.0 OUTLIER -39.13 133.64 1.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 10.0 110.285 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.872 HD22 ' HB2' ' A' ' 11' ' ' ASP . 20.5 mt -145.29 33.24 1.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 10.0 109.267 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 145' ' ' ALA . . . . . 1.109 ' HB1' HD12 ' A' ' 8' ' ' LEU . . . -173.87 159.41 3.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 10.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 146' ' ' CYS . . . . . 0.427 ' HA ' ' OG1' ' A' ' 116' ' ' THR . 3.5 m -155.58 66.31 0.62 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 10.0 108.27 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 147' ' ' GLY . . . . . 0.791 ' O ' ' HB1' ' A' ' 6' ' ' ALA . . . -75.55 63.52 2.64 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.518 1.136 . . . . 10.0 111.055 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.57 HG22 ' HB ' ' A' ' 116' ' ' THR . 28.0 t -54.02 130.58 15.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.475 0.75 . . . . 10.0 109.283 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 149' ' ' ILE . . . . . 0.766 HG13 ' HB2' ' A' ' 6' ' ' ALA . 1.8 mp -90.86 106.02 17.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 10.0 109.257 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -125.86 156.71 19.62 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.518 1.136 . . . . 10.0 111.026 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 151' ' ' ILE . . . . . 0.604 ' CD1' ' CG2' ' A' ' 2' ' ' THR . 6.9 mm -42.91 150.68 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 0.778 . . . . 10.0 109.263 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 152' ' ' ALA . . . . . 0.879 ' CB ' HG23 ' A' ' 5' ' ' VAL . . . -154.57 163.61 39.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 10.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 10.0 110.273 -179.964 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.292 -0.632 . . . . 10.0 109.292 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.994 HG22 HD12 ' A' ' 151' ' ' ILE . 1.9 m -92.3 103.21 15.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 10.0 110.38 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -86.48 145.7 26.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 10.0 109.323 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.762 ' HB3' ' HB2' ' A' ' 20' ' ' PHE . . . -128.28 167.3 17.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 10.0 109.253 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.9 t -139.84 153.13 22.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 10.0 109.351 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 1.037 ' HB2' HD13 ' A' ' 149' ' ' ILE . . . -155.8 83.85 1.02 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 10.0 109.28 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.627 ' O ' HG23 ' A' ' 7' ' ' VAL . 5.1 m -85.34 104.6 13.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 10.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.61 HD23 ' N ' ' A' ' 8' ' ' LEU . 2.0 mt -49.75 131.76 21.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 10.0 109.331 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.505 ' N ' ' HB1' ' A' ' 145' ' ' ALA . 2.2 ttmt -164.85 110.24 0.95 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 10.0 109.312 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -172.02 -79.26 0.05 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.477 1.111 . . . . 10.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -43.61 -57.69 3.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 0.746 . . . . 10.0 109.29 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 153.42 -64.97 0.34 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.533 1.146 . . . . 10.0 110.983 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.446 ' O ' ' N ' ' A' ' 15' ' ' GLN . 18.4 Cg_endo -75.02 -45.46 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.551 1.816 . . . . 10.0 111.004 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.521 HG21 HD13 ' A' ' 144' ' ' LEU . 94.3 t -55.72 89.34 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 10.0 109.258 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 13' ' ' PRO . 1.3 tt0 -117.5 44.03 2.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 10.0 110.315 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.436 ' CA ' ' HA ' ' A' ' 35' ' ' ILE . . . -58.17 162.77 9.51 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.474 1.109 . . . . 10.0 110.979 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 49.4 mt -137.75 95.43 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.537 0.787 . . . . 10.0 109.274 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.809 HG23 ' HB3' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -111.05 154.04 12.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 10.0 109.312 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.463 ' N ' HD13 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -135.81 173.07 12.12 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 10.0 109.342 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.762 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 2.5 m-85 -140.58 114.56 9.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 10.0 110.989 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 30' ' ' LYS . 21.9 tt0 -116.9 143.09 46.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 10.0 110.271 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.42 ' HB2' HG22 ' A' ' 29' ' ' VAL . 38.7 tt0 -138.94 93.78 2.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 10.0 110.294 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.47 52.99 2.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 10.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.512 ' O ' ' CB ' ' A' ' 25' ' ' SER . 1.0 OUTLIER -153.96 -45.78 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.155 . . . . 10.0 110.325 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.512 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 1.0 OUTLIER 85.74 -13.38 0.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 10.0 110.004 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -157.48 25.36 0.29 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 10.0 109.306 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -127.05 -146.77 6.55 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.537 1.148 . . . . 10.0 110.957 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.458 ' HA ' ' O ' ' A' ' 101' ' ' ASP . 18.4 Cg_endo -74.96 156.37 43.15 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.48 1.779 . . . . 10.0 110.977 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.527 HG11 ' HD2' ' A' ' 20' ' ' PHE . 93.7 t -115.02 119.88 63.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 10.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 21' ' ' GLU . 3.6 mttt -74.41 94.84 2.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.581 1.176 . . . . 10.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.581 HG13 ' CE1' ' A' ' 20' ' ' PHE . 25.5 t -89.87 133.88 30.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 10.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 1.4 p90 -165.36 140.6 5.12 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 10.0 108.025 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.447 ' CA ' ' HA ' ' A' ' 18' ' ' ILE . . . -160.76 -166.85 20.33 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.487 1.117 . . . . 10.0 110.993 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.8 m -157.72 120.71 3.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 0.764 . . . . 10.0 110.053 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.735 HG21 HD13 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -84.58 166.04 2.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 10.0 109.308 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.504 ' N ' HG23 ' A' ' 35' ' ' ILE . 4.1 mttm -156.51 107.82 2.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 10.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.443 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 146.44 -51.79 0.58 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.465 1.103 . . . . 10.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.798 HD11 HG21 ' A' ' 119' ' ' VAL . 3.1 mp -55.59 -163.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 0.783 . . . . 10.0 109.257 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.41 ' O ' ' C ' ' A' ' 40' ' ' GLU . 42.6 p -145.2 150.51 36.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 10.0 110.42 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.812 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -38.0 118.69 0.71 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 10.0 110.311 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.406 ' O ' ' HA ' ' A' ' 88' ' ' THR . . . 153.05 177.96 27.15 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.476 1.11 . . . . 10.0 111.014 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.0 mp -81.59 135.12 35.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 0.749 . . . . 10.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.698 ' NE2' ' HB2' ' A' ' 89' ' ' ALA . 59.8 m-70 -111.59 169.31 8.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 10.0 109.576 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.476 ' HA3' ' CG ' ' A' ' 120' ' ' HIS . . . -74.78 179.31 44.51 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.477 1.111 . . . . 10.0 111.042 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.596 ' CD1' ' NH2' ' A' ' 79' ' ' ARG . 16.7 m-85 -85.12 153.58 22.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 0.79 . . . . 10.0 110.979 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.507 ' CG ' HG23 ' A' ' 47' ' ' VAL . 4.3 p80 -76.42 175.5 9.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 10.0 109.596 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.507 HG23 ' CG ' ' A' ' 46' ' ' HIS . 6.1 t 73.98 134.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 10.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 39.4 p-80 -142.91 164.47 30.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 10.0 109.589 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.441 ' O ' ' HA ' ' A' ' 62' ' ' PRO . 1.6 tt0 -168.03 167.87 12.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 10.0 110.289 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -167.98 -64.29 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 10.0 110.267 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -139.86 -45.37 0.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 10.0 110.27 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -102.94 174.65 5.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 10.0 109.257 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -105.42 28.35 7.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 10.0 109.25 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.508 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 0.9 OUTLIER -143.7 -47.62 0.29 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.108 . . . . 10.0 110.425 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.508 ' HB3' ' O ' ' A' ' 54' ' ' THR . . . 71.95 -58.84 0.57 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 10.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 115.3 25.31 3.84 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.495 1.122 . . . . 10.0 110.994 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 46.97 76.87 0.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.286 -1.005 . . . . 10.0 108.286 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 82.8 p -127.9 -136.1 0.24 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 10.0 110.374 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 29.8 t -164.53 94.3 0.69 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 10.0 109.984 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -133.0 -71.1 0.53 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 10.0 109.288 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 175.87 136.37 2.32 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.487 1.117 . . . . 10.0 111.044 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.441 ' HA ' ' O ' ' A' ' 49' ' ' GLU . 18.2 Cg_endo -75.07 178.62 7.03 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.521 1.8 . . . . 10.0 110.997 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -148.4 -46.55 0.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 10.0 109.585 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 67.24 -172.9 0.19 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 10.0 111.007 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -100.62 129.38 27.81 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 10.0 109.28 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 78.2 2.96 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.485 1.782 . . . . 10.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.403 HD22 ' HA ' ' A' ' 67' ' ' LEU . 1.9 tm? -146.72 -52.57 0.22 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 10.0 109.327 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.454 ' O ' ' HA ' ' A' ' 78' ' ' GLU . 0.9 OUTLIER -114.34 -26.46 7.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 10.0 109.993 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.528 ' CZ ' HG22 ' A' ' 137' ' ' THR . 0.0 OUTLIER -69.19 63.48 0.14 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 10.0 110.263 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt -152.84 61.21 0.79 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.1 . . . . 10.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 62.06 146.72 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.517 1.136 . . . . 10.0 109.608 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.437 ' N ' ' OE1' ' A' ' 78' ' ' GLU . . . 173.65 -104.62 0.2 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.507 1.129 . . . . 10.0 111.027 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -153.62 -127.76 1.21 Allowed Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.06 -0.816 . . . . 10.0 111.06 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -75.47 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.501 1.79 . . . . 10.0 110.961 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.07 79.88 0.69 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 10.0 109.235 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -166.46 -43.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 10.0 109.325 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -112.82 8.14 18.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 10.0 110.312 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.542 ' O ' ' C ' ' A' ' 79' ' ' ARG . 30.4 tt0 -170.42 157.42 6.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 10.0 110.271 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.596 ' NH2' ' CD1' ' A' ' 45' ' ' PHE . 4.4 ptm180 27.07 55.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 10.0 110.285 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 16.6 t60 -115.12 -10.65 12.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 10.0 109.579 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.9 p -58.99 -43.19 88.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 10.0 109.331 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.412 ' O ' ' O ' ' A' ' 83' ' ' ASP . . . -141.46 -42.0 0.07 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.509 1.13 . . . . 10.0 111.033 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.412 ' O ' ' O ' ' A' ' 82' ' ' GLY . 1.9 m-20 -48.59 176.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 0.763 . . . . 10.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -141.68 -64.19 0.44 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 10.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.506 ' HA2' ' CE2' ' A' ' 45' ' ' PHE . . . -176.99 -169.4 38.19 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.556 1.16 . . . . 10.0 110.97 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.591 ' OD1' ' CE1' ' A' ' 45' ' ' PHE . 1.7 m-20 -84.95 123.79 30.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 0.788 . . . . 10.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.508 HG23 ' HB2' ' A' ' 43' ' ' HIS . 12.4 m -97.49 118.48 44.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 10.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' A' ' 41' ' ' GLY . 15.0 m -96.15 154.96 16.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 10.0 110.402 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.812 ' HB3' ' HA ' ' A' ' 40' ' ' GLU . . . -85.28 168.05 15.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 10.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.453 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 12.0 t0 -77.74 -96.86 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.496 1.123 . . . . 10.0 109.253 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.453 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 1.7 ptpt -134.71 8.87 3.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 10.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -159.45 26.74 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.571 1.17 . . . . 10.0 109.269 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.656 ' CA ' ' HB1' ' A' ' 89' ' ' ALA . . . 98.31 -44.62 1.75 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.506 1.129 . . . . 10.0 110.978 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.465 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 21.6 t -39.6 99.44 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.47 0.747 . . . . 10.0 109.296 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 93' ' ' GLY . . . -101.15 118.1 36.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 10.0 109.262 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.422 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 2.0 p-10 -109.62 150.25 28.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 10.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.621 ' CG1' HD12 ' A' ' 99' ' ' ILE . 24.7 t -123.24 163.93 21.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 10.0 109.261 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.439 ' N ' HG12 ' A' ' 97' ' ' VAL . 79.7 p -177.4 82.94 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 10.0 110.024 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.621 HD12 ' CG1' ' A' ' 97' ' ' VAL . 2.3 mp -134.98 168.06 24.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 10.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.535 ' N ' HG22 ' A' ' 99' ' ' ILE . 0.8 OUTLIER -129.76 95.89 4.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 10.0 110.279 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.458 ' O ' ' HA ' ' A' ' 28' ' ' PRO . 54.2 t0 -85.72 118.25 25.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 10.0 109.262 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.433 ' O ' HG23 ' A' ' 103' ' ' VAL . 21.6 t -102.05 61.91 0.88 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 10.0 110.033 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 102' ' ' SER . 50.4 t -153.41 -70.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 10.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.709 ' C ' HD12 ' A' ' 104' ' ' ILE . 1.9 pp -51.24 -179.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.158 . . . . 10.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.412 ' CB ' ' HB2' ' A' ' 109' ' ' ASP . 0.1 OUTLIER -167.43 153.86 8.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 10.0 109.987 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.764 ' CD2' HD11 ' A' ' 112' ' ' ILE . 3.5 mm? -62.26 -47.07 85.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 10.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 39.0 m -155.92 151.69 27.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 10.0 109.993 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 72.48 57.32 5.58 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.469 1.105 . . . . 10.0 110.973 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.412 ' HB2' ' CB ' ' A' ' 105' ' ' SER . 4.6 m-20 173.86 -92.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 0.737 . . . . 10.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.497 ' HE1' HG22 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -117.37 -17.78 10.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 10.0 109.596 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.411 ' O ' ' O ' ' A' ' 110' ' ' HIS . 36.3 t 57.49 111.96 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.514 1.134 . . . . 10.0 110.034 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.764 HD11 ' CD2' ' A' ' 106' ' ' LEU . 6.9 pt -96.97 -37.29 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 10.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.5 HD11 HG12 ' A' ' 151' ' ' ILE . 5.0 mt -40.29 118.11 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 10.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 114.73 -7.28 22.14 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.498 1.124 . . . . 10.0 111.035 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.29 87.42 6.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 0.748 . . . . 10.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.654 HG23 HG23 ' A' ' 118' ' ' VAL . 0.3 OUTLIER -70.86 144.56 50.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 10.0 110.374 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.499 HD13 ' HB3' ' A' ' 46' ' ' HIS . 0.2 OUTLIER -87.27 70.07 10.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 10.0 109.312 179.94 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.654 HG23 HG23 ' A' ' 116' ' ' THR . 14.2 t -82.23 172.63 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 10.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.798 HG21 HD11 ' A' ' 38' ' ' LEU . 2.7 m -148.51 139.31 17.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 10.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.476 ' CG ' ' HA3' ' A' ' 44' ' ' GLY . 6.6 m170 -84.59 160.08 20.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 10.0 109.593 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -88.11 63.81 7.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 10.0 110.278 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.485 ' HB2' ' HB1' ' A' ' 140' ' ' ALA . 0.0 OUTLIER 171.5 169.89 0.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 10.0 109.31 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -70.02 -165.69 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 10.0 109.305 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.498 ' OD2' ' CD1' ' A' ' 45' ' ' PHE . 8.2 m-20 -142.02 97.0 3.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.103 . . . . 10.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' ASP . . . . . 0.433 ' O ' ' N ' ' A' ' 127' ' ' GLY . 6.5 m-20 -132.75 104.83 6.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 10.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.589 HD21 ' NH1' ' A' ' 79' ' ' ARG . 3.3 mt -69.58 54.25 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.142 . . . . 10.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 125' ' ' ASP . . . 171.96 77.72 0.05 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.471 1.107 . . . . 10.0 111.052 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 6.6 mttm -108.42 30.55 6.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 0.742 . . . . 10.0 109.308 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 84.25 -49.84 4.3 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.485 1.116 . . . . 10.0 110.982 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -65.36 -176.14 5.68 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.001 -0.84 . . . . 10.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -147.81 142.62 26.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 0.772 . . . . 10.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 73.65 27.67 1.74 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.098 . . . . 10.0 110.296 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.82 -60.99 0.5 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 10.0 110.32 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 49.5 p -90.4 -29.33 18.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 10.0 110.026 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 43.5 p -58.36 -16.43 14.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 10.0 110.387 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.5 -36.36 5.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 10.0 109.292 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 137' ' ' THR . . . . . 0.528 HG22 ' CZ ' ' A' ' 69' ' ' ARG . 80.6 p -130.32 -101.86 0.3 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 10.0 110.399 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 138' ' ' GLY . . . . . 0.427 ' N ' ' OG1' ' A' ' 137' ' ' THR . . . -169.06 30.28 0.16 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.538 1.149 . . . . 10.0 111.019 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 48.06 59.92 3.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 0.757 . . . . 10.0 109.335 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.485 ' HB1' ' HB2' ' A' ' 122' ' ' LYS . . . -163.5 -62.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 10.0 109.352 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 141' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 140' ' ' ALA . . . 36.33 92.06 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.505 1.128 . . . . 10.0 110.96 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -149.81 70.93 1.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 0.745 . . . . 10.0 109.984 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 1.1 ptt-85 -47.13 157.12 0.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 10.0 110.311 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.521 HD13 HG21 ' A' ' 14' ' ' VAL . 62.6 mt -124.11 -86.56 0.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 10.0 109.313 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 145' ' ' ALA . . . . . 0.576 ' O ' HG13 ' A' ' 118' ' ' VAL . . . -95.84 174.47 6.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.42 1.075 . . . . 10.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 146' ' ' CYS . . . . . 0.443 ' HA ' ' OG1' ' A' ' 116' ' ' THR . 26.9 p -150.21 70.69 1.04 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 10.0 108.276 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 147' ' ' GLY . . . . . 0.44 ' N ' ' HA ' ' A' ' 8' ' ' LEU . . . -48.89 -48.85 29.99 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.499 1.125 . . . . 10.0 110.988 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.496 ' CG2' ' HB ' ' A' ' 116' ' ' THR . 53.1 t 66.09 125.56 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.486 0.756 . . . . 10.0 109.256 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 149' ' ' ILE . . . . . 1.037 HD13 ' HB2' ' A' ' 6' ' ' ALA . 24.0 mm -71.86 137.44 23.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 10.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -153.04 117.43 0.81 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.548 1.155 . . . . 10.0 110.996 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 151' ' ' ILE . . . . . 0.994 HD12 HG22 ' A' ' 2' ' ' THR . 19.1 mm -47.52 137.24 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 0.757 . . . . 10.0 109.312 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -127.7 175.02 8.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 10.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 10.0 110.314 179.978 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 22' ' ' GLN . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.297 -0.631 . . . . 10.0 109.297 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.818 HG21 HG23 ' A' ' 151' ' ' ILE . 28.4 m -89.14 154.53 20.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 10.0 110.381 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.605 ' O ' ' HB3' ' A' ' 152' ' ' ALA . 1.0 OUTLIER -106.84 109.15 20.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 10.0 109.309 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.952 ' HB3' ' HB2' ' A' ' 20' ' ' PHE . . . -84.3 167.27 16.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 10.0 109.29 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.46 HG22 ' HB2' ' A' ' 152' ' ' ALA . 0.0 OUTLIER -149.13 143.85 18.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 10.0 109.294 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.891 ' HB3' ' CG1' ' A' ' 18' ' ' ILE . . . -136.81 107.33 6.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 10.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.419 HG12 ' H ' ' A' ' 7' ' ' VAL . 3.4 p -82.04 88.55 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 10.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.464 HD13 ' HB1' ' A' ' 145' ' ' ALA . 0.4 OUTLIER -44.3 144.87 0.9 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 10.0 109.267 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 179.78 120.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 10.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -165.1 -98.64 0.13 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.455 1.097 . . . . 10.0 111.014 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -42.56 -62.11 1.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 0.743 . . . . 10.0 109.306 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.48 ' N ' ' CD ' ' A' ' 13' ' ' PRO . . . 162.26 -52.1 0.32 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.498 1.124 . . . . 10.0 111.03 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.48 ' CD ' ' N ' ' A' ' 12' ' ' GLY . 18.2 Cg_endo -75.02 -40.9 0.75 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.479 1.779 . . . . 10.0 110.998 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.928 HG22 ' CD1' ' A' ' 38' ' ' LEU . 36.8 t -61.21 82.44 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 10.0 109.266 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 13' ' ' PRO . 0.1 OUTLIER -121.84 60.87 0.96 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.164 . . . . 10.0 110.302 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.458 ' C ' HG13 ' A' ' 17' ' ' ILE . . . -94.01 -178.45 39.03 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.481 1.113 . . . . 10.0 110.981 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.458 HG13 ' C ' ' A' ' 16' ' ' GLY . 65.5 mt -143.48 117.29 3.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.533 0.784 . . . . 10.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.891 ' CG1' ' HB3' ' A' ' 6' ' ' ALA . 0.6 OUTLIER -96.96 160.93 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 10.0 109.324 179.934 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.683 ' N ' HD12 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -146.26 116.6 7.47 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.094 . . . . 10.0 109.305 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.952 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 4.4 m-30 -105.97 97.0 6.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.429 1.081 . . . . 10.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.408 ' C ' ' OE1' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -108.91 130.04 55.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 10.0 110.273 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.462 ' O ' ' N ' ' A' ' 1' ' ' ALA . 0.1 OUTLIER -122.11 59.23 1.01 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 10.0 110.278 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.8 mttt -70.83 65.89 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.091 . . . . 10.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.409 ' O ' ' N ' ' A' ' 26' ' ' ASN . 0.6 OUTLIER -150.8 155.9 40.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 10.0 110.283 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.429 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 4.4 m -69.56 57.87 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 10.0 109.989 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.429 ' CB ' ' O ' ' A' ' 25' ' ' SER . 0.7 OUTLIER 77.61 29.5 0.52 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 10.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -86.9 -145.55 9.39 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.474 1.109 . . . . 10.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.451 ' HA ' ' O ' ' A' ' 101' ' ' ASP . 18.2 Cg_endo -74.99 164.44 33.37 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.466 1.771 . . . . 10.0 110.986 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.425 HG21 ' CD1' ' A' ' 104' ' ' ILE . 93.5 t -103.48 123.33 56.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 10.0 109.366 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.4 mttt -78.97 88.76 4.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 10.0 109.311 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.816 HG13 ' CE1' ' A' ' 20' ' ' PHE . 46.2 t -86.4 128.21 39.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 10.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.55 ' CD2' ' OD1' ' A' ' 19' ' ' ASN . 0.0 OUTLIER -158.51 165.28 34.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 10.0 107.967 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.53 ' N ' ' CD1' ' A' ' 32' ' ' TRP . . . 162.45 -161.22 33.44 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.51 1.131 . . . . 10.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.419 ' O ' ' HA3' ' A' ' 16' ' ' GLY . 79.8 p -155.54 125.35 6.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 0.763 . . . . 10.0 109.987 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 1.039 HG22 HD21 ' A' ' 38' ' ' LEU . 10.1 mt -111.41 109.85 30.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 10.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.454 ' CB ' HG22 ' A' ' 94' ' ' VAL . 15.1 ptpt -112.49 114.84 27.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 10.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.77 -27.86 0.2 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.507 1.13 . . . . 10.0 111.007 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 1.039 HD21 HG22 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -84.89 -161.64 0.6 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 0.761 . . . . 10.0 109.284 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 46.5 p -125.41 156.58 38.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 10.0 110.382 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.902 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 2.4 tm-20 -58.12 143.78 42.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 10.0 110.267 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.406 ' O ' ' HA ' ' A' ' 88' ' ' THR . . . 128.93 176.31 14.39 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.476 1.11 . . . . 10.0 110.991 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.5 mp -55.05 159.94 2.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 0.774 . . . . 10.0 109.33 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.59 ' CG ' ' ND1' ' A' ' 120' ' ' HIS . 2.6 m-70 -155.37 164.85 38.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 10.0 109.577 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -82.65 -133.16 1.86 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.471 1.107 . . . . 10.0 110.966 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.447 ' CE2' ' CG1' ' A' ' 87' ' ' VAL . 0.2 OUTLIER -166.26 154.11 10.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 0.772 . . . . 10.0 111.002 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.494 ' C ' HG23 ' A' ' 47' ' ' VAL . 0.4 OUTLIER -50.99 174.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 10.0 109.584 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.494 HG23 ' C ' ' A' ' 46' ' ' HIS . 1.3 t 61.0 88.83 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 10.0 109.276 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 53.9 p-80 -177.42 75.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 10.0 109.541 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.401 ' O ' ' CE2' ' A' ' 64' ' ' PHE . 1.6 pm0 -93.59 95.85 9.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 10.0 110.314 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.23 -72.2 0.36 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 10.0 110.306 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -146.02 -170.69 3.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 10.0 110.295 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 70.68 115.01 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 10.0 109.346 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -99.77 47.63 0.95 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 10.0 109.292 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.589 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 0.7 OUTLIER -112.16 119.07 37.12 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.496 1.123 . . . . 10.0 110.363 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.589 ' HB2' ' O ' ' A' ' 54' ' ' THR . . . 169.69 116.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 10.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -100.03 66.28 0.58 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.511 1.132 . . . . 10.0 110.945 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 1.444 ' SG ' ' SG ' ' A' ' 146' ' ' CYS . 66.4 m -126.59 -56.91 1.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.26 -1.015 . . . . 10.0 108.26 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 51.5 p -142.5 -62.91 0.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 10.0 110.36 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 59.82 104.96 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 10.0 110.008 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -130.34 -66.01 0.79 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.122 . . . . 10.0 109.307 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -168.3 84.99 0.09 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.481 1.113 . . . . 10.0 111.013 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 103.1 1.67 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.501 1.79 . . . . 10.0 111.025 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -154.23 36.69 0.43 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 10.0 109.618 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.401 ' CE2' ' O ' ' A' ' 49' ' ' GLU . 99.0 m-85 54.38 -176.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 10.0 111.017 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -114.95 129.39 25.09 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.435 1.084 . . . . 10.0 109.325 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 81.25 2.25 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.525 1.802 . . . . 10.0 111.012 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.668 ' HB3' HG21 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -179.59 -44.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 10.0 109.308 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.1 p -52.16 -24.89 7.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 10.0 110.013 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 72.77 -65.07 0.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 10.0 110.292 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 17.1 pttt -177.32 -160.09 0.05 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 10.0 109.329 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 8.2 t-160 -49.0 99.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 10.0 109.616 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -66.74 142.67 42.42 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.571 1.17 . . . . 10.0 111.018 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 120.75 -121.78 4.97 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 111.001 -0.84 . . . . 10.0 111.001 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.514 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 18.4 Cg_endo -75.02 51.53 2.82 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.522 1.801 . . . . 10.0 111.013 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.514 ' CB ' ' O ' ' A' ' 74' ' ' PRO . 0.3 OUTLIER 163.33 42.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 10.0 109.282 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.513 ' CB ' ' O ' ' A' ' 75' ' ' LYS . 0.8 OUTLIER 154.26 127.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 10.0 109.294 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.446 ' O ' ' CG ' ' A' ' 77' ' ' GLU . 0.3 OUTLIER -103.29 1.67 33.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 10.0 110.255 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.485 ' O ' ' CG ' ' A' ' 79' ' ' ARG . 2.9 mp0 -84.1 -94.87 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 10.0 110.277 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.485 ' CG ' ' O ' ' A' ' 78' ' ' GLU . 12.0 ptt85 45.17 -167.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 10.0 110.284 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.409 ' CB ' ' O ' ' A' ' 79' ' ' ARG . 3.3 t60 81.07 2.48 1.64 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 10.0 109.568 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.668 HG21 ' HB3' ' A' ' 67' ' ' LEU . 8.6 t -115.24 -9.2 12.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 10.0 109.336 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -169.49 -68.77 0.04 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.493 1.121 . . . . 10.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.459 ' O ' HD22 ' A' ' 84' ' ' LEU . 0.7 OUTLIER -82.73 156.14 23.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 0.797 . . . . 10.0 109.308 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.459 HD22 ' O ' ' A' ' 83' ' ' ASP . 0.3 OUTLIER -137.4 -73.58 0.42 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 10.0 109.294 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -163.49 -116.56 0.38 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.48 1.113 . . . . 10.0 110.999 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 43' ' ' HIS . 2.3 m120 -151.09 148.39 28.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 0.738 . . . . 10.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.447 ' CG1' ' CE2' ' A' ' 45' ' ' PHE . 7.5 m -111.17 -170.56 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.104 . . . . 10.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.422 ' HG1' ' C ' ' A' ' 87' ' ' VAL . 3.1 m -155.51 145.24 21.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 10.0 110.44 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.902 ' HB3' ' HA ' ' A' ' 40' ' ' GLU . . . -85.6 173.42 10.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 10.0 109.337 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.457 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 11.0 t0 -85.86 -96.13 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 10.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.457 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 0.1 OUTLIER -137.83 11.67 2.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 10.0 109.298 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -156.04 24.2 0.37 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 10.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.513 ' O ' ' CD2' ' A' ' 38' ' ' LEU . . . 88.28 -29.91 5.43 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.493 1.121 . . . . 10.0 111.019 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.454 HG22 ' CB ' ' A' ' 36' ' ' LYS . 16.9 t -44.3 94.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.562 0.801 . . . . 10.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.489 ' N ' ' O ' ' A' ' 93' ' ' GLY . . . -99.83 114.53 27.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 10.0 109.258 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.429 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 4.6 p-10 -91.16 148.36 22.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.138 . . . . 10.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 22.0 t -118.44 153.97 20.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 10.0 109.307 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 65.9 p -176.26 89.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 10.0 110.031 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.466 HG22 ' H ' ' A' ' 100' ' ' GLU . 1.1 mt -142.58 172.86 7.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 10.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.466 ' H ' HG22 ' A' ' 99' ' ' ILE . 4.1 mp0 -133.34 102.93 5.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 10.0 110.254 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.451 ' O ' ' HA ' ' A' ' 28' ' ' PRO . 25.7 m-20 -84.96 102.73 13.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 10.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.618 ' O ' HG23 ' A' ' 103' ' ' VAL . 53.5 p -88.9 63.02 6.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 10.0 109.989 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 102' ' ' SER . 47.7 t -158.92 -65.05 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 10.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.92 HD13 HG21 ' A' ' 112' ' ' ILE . 1.5 pp -78.1 168.17 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 10.0 109.328 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 48.5 m -161.52 161.68 30.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 10.0 109.964 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.637 HD23 HD11 ' A' ' 113' ' ' ILE . 1.1 mt -61.46 -39.21 90.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 10.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 79.9 p -129.75 -171.37 2.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 10.0 110.042 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 93.41 -140.56 15.12 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.482 1.114 . . . . 10.0 111.01 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -98.69 28.03 4.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 0.749 . . . . 10.0 109.32 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.43 ' CE1' ' O ' ' A' ' 103' ' ' VAL . 72.7 m80 -125.07 -70.13 0.76 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 10.0 109.598 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 10.6 p 60.8 94.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 10.0 110.022 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.92 HG21 HD13 ' A' ' 104' ' ' ILE . 10.4 pt -90.48 -14.22 8.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 10.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.637 HD11 HD23 ' A' ' 106' ' ' LEU . 34.4 mm -50.78 109.12 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 10.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 112.34 34.4 1.95 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.534 1.146 . . . . 10.0 111.048 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.426 ' CG ' ' O ' ' A' ' 112' ' ' ILE . 4.8 mmm180 -111.74 82.16 1.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 0.772 . . . . 10.0 110.3 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.615 HG23 ' HA ' ' A' ' 146' ' ' CYS . 3.0 m -41.46 111.83 0.26 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 10.0 110.388 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.616 HD21 ' CZ ' ' A' ' 20' ' ' PHE . 0.8 OUTLIER -76.97 85.89 3.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 10.0 109.318 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.599 HG11 ' CG ' ' A' ' 143' ' ' ARG . 17.2 t -79.64 156.76 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 10.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.53 HG12 ' N ' ' A' ' 120' ' ' HIS . 21.9 t -97.74 -121.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 10.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.59 ' ND1' ' CG ' ' A' ' 43' ' ' HIS . 0.0 OUTLIER -155.96 124.65 5.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 10.0 109.635 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.56 ' HA ' HD11 ' A' ' 144' ' ' LEU . 0.8 OUTLIER -66.1 -18.88 65.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 10.0 110.26 -179.935 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -179.1 -171.87 0.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 10.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -91.19 122.05 33.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 10.0 109.286 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -67.58 -10.77 54.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 10.0 109.311 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 53.15 32.39 13.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 10.0 109.287 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 15.8 mt 55.36 19.19 2.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 10.0 109.333 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 97.32 127.35 5.62 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.524 1.14 . . . . 10.0 110.994 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 5.2 mttp -72.01 -71.96 0.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 0.773 . . . . 10.0 109.31 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -144.92 29.84 1.82 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.47 1.107 . . . . 10.0 110.979 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 64.21 107.14 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 N-CA-C 111.021 -0.832 . . . . 10.0 111.021 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' ASN . . . . . 0.565 ' O ' ' N ' ' A' ' 135' ' ' THR . 0.3 OUTLIER -144.49 153.39 41.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 0.755 . . . . 10.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 131' ' ' ASN . 4.0 mt-10 -38.1 -28.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 10.0 110.324 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 133' ' ' GLN . . . . . 0.48 ' N ' ' O ' ' A' ' 131' ' ' ASN . 0.0 OUTLIER -89.94 -46.76 8.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 10.0 110.312 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 134' ' ' SER . . . . . 0.461 ' O ' ' N ' ' A' ' 136' ' ' LYS . 0.1 OUTLIER -70.31 -49.43 49.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 10.0 109.999 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 135' ' ' THR . . . . . 0.565 ' N ' ' O ' ' A' ' 131' ' ' ASN . 23.1 p -37.04 -31.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 10.0 110.399 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 134' ' ' SER . 0.0 OUTLIER -106.77 -39.17 5.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 10.0 109.281 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 137' ' ' THR . . . . . 0.475 ' OG1' ' N ' ' A' ' 138' ' ' GLY . 33.7 p -129.46 -116.5 0.24 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 10.0 110.389 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 138' ' ' GLY . . . . . 0.475 ' N ' ' OG1' ' A' ' 137' ' ' THR . . . -165.35 46.04 0.28 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.537 1.148 . . . . 10.0 111.021 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 50.4 33.14 7.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 0.798 . . . . 10.0 109.282 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -151.78 26.22 0.65 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 10.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -80.37 94.48 1.5 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.516 1.135 . . . . 10.0 110.945 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' SER . . . . . 0.473 ' CB ' ' HB2' ' A' ' 121' ' ' GLU . 0.3 OUTLIER -150.16 146.07 26.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 0.762 . . . . 10.0 109.997 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 143' ' ' ARG . . . . . 0.925 ' O ' HD23 ' A' ' 144' ' ' LEU . 3.7 mtp85 -94.24 135.57 35.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 10.0 110.295 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.925 HD23 ' O ' ' A' ' 143' ' ' ARG . 12.6 mt -129.03 12.37 6.14 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.459 1.099 . . . . 10.0 109.306 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 145' ' ' ALA . . . . . 0.464 ' HB1' HD13 ' A' ' 8' ' ' LEU . . . -166.38 161.38 16.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 10.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 146' ' ' CYS . . . . . 1.444 ' SG ' ' SG ' ' A' ' 57' ' ' CYS . 21.5 p -153.89 65.48 0.72 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 10.0 108.313 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -59.99 -41.59 97.98 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.53 1.144 . . . . 10.0 110.985 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 3.1 t 63.56 145.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.523 0.778 . . . . 10.0 109.254 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 149' ' ' ILE . . . . . 0.909 HG23 ' HB1' ' A' ' 4' ' ' ALA . 47.3 mm -84.54 127.41 39.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.11 . . . . 10.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -135.39 111.17 0.88 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.461 1.101 . . . . 10.0 111.054 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 151' ' ' ILE . . . . . 0.818 HG23 HG21 ' A' ' 2' ' ' THR . 11.5 mm -41.22 132.75 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.522 0.778 . . . . 10.0 109.359 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 152' ' ' ALA . . . . . 0.605 ' HB3' ' O ' ' A' ' 3' ' ' LYS . . . -90.94 170.41 10.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 10.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 10.0 110.313 179.998 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.457 ' H1 ' ' HA ' ' A' ' 23' ' ' LYS . . . . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.291 -0.633 . . . . 10.0 109.291 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.81 HG22 HG23 ' A' ' 151' ' ' ILE . 1.3 m -85.95 110.32 19.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 10.0 110.376 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -97.51 110.13 22.75 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.131 . . . . 10.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.841 ' HB3' ' HB2' ' A' ' 20' ' ' PHE . . . -88.95 157.69 18.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 10.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.8 t -130.95 153.42 39.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 10.0 109.262 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.909 ' HB2' ' HA ' ' A' ' 149' ' ' ILE . . . -155.66 89.71 1.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 10.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.564 HG12 HG12 ' A' ' 17' ' ' ILE . 10.6 m -83.82 109.21 17.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.42 1.075 . . . . 10.0 109.31 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.486 ' HB2' ' N ' ' A' ' 16' ' ' GLY . 0.7 OUTLIER -55.17 144.0 25.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 10.0 109.272 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.608 ' H ' ' HB1' ' A' ' 145' ' ' ALA . 1.4 tttt -171.95 142.47 1.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 10.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 11' ' ' ASP . . . 168.79 -95.77 0.11 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.527 1.142 . . . . 10.0 111.002 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 10' ' ' GLY . 39.9 t0 -40.28 -49.96 2.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 0.767 . . . . 10.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.442 ' N ' ' CD ' ' A' ' 13' ' ' PRO . . . 142.64 -53.7 0.61 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.478 1.111 . . . . 10.0 111.061 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.442 ' CD ' ' N ' ' A' ' 12' ' ' GLY . 18.5 Cg_endo -75.01 -21.86 15.4 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.525 1.802 . . . . 10.0 111.061 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.2 t -83.2 99.3 5.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 10.0 109.271 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 -123.76 31.32 5.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 10.0 110.29 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.486 ' N ' ' HB2' ' A' ' 8' ' ' LEU . . . -42.85 162.8 0.03 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.455 1.097 . . . . 10.0 110.971 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.564 HG12 HG12 ' A' ' 7' ' ' VAL . 65.6 mt -142.34 101.62 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.558 0.799 . . . . 10.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.507 HG23 ' HB3' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -117.29 149.58 19.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 10.0 109.28 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.417 ' N ' HG12 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -132.96 162.45 31.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.11 . . . . 10.0 109.278 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.841 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 1.8 m-85 -129.92 106.59 8.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 10.0 111.009 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -103.72 145.19 30.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 10.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 1' ' ' ALA . 20.7 tt0 -147.26 84.63 1.58 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 10.0 110.32 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.457 ' HA ' ' H1 ' ' A' ' 1' ' ' ALA . 11.0 mtmt -74.73 57.45 0.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 10.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.492 ' O ' ' CB ' ' A' ' 25' ' ' SER . 0.0 OUTLIER -155.96 -45.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 10.0 110.282 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 0.4 OUTLIER 84.49 -11.5 0.81 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.569 1.168 . . . . 10.0 110.04 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 33.0 p-10 -158.92 27.39 0.22 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 10.0 109.285 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -127.59 -147.47 6.63 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.507 1.13 . . . . 10.0 110.995 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.447 ' HA ' ' O ' ' A' ' 101' ' ' ASP . 18.3 Cg_endo -75.01 150.93 38.84 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.525 1.803 . . . . 10.0 111.041 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.8 t -111.68 110.32 31.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 10.0 109.332 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.2 mttm -69.53 95.55 0.84 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 10.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.795 HG13 ' CE1' ' A' ' 20' ' ' PHE . 70.4 t -87.37 134.21 28.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 10.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -164.32 155.96 16.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 10.0 107.973 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.443 ' O ' ' HA ' ' A' ' 96' ' ' ASP . . . 178.79 -169.84 41.47 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.529 1.143 . . . . 10.0 111.011 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 26.5 p -157.27 122.29 4.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 0.756 . . . . 10.0 109.977 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.788 HD13 ' CZ ' ' A' ' 45' ' ' PHE . 0.1 OUTLIER -83.34 166.34 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 10.0 109.227 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.51 ' N ' HG23 ' A' ' 35' ' ' ILE . 32.7 mttt -156.28 115.14 3.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 10.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 138.79 -47.86 0.9 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.513 1.133 . . . . 10.0 110.969 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.908 HD22 ' ND1' ' A' ' 43' ' ' HIS . 0.4 OUTLIER -54.1 -170.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 0.791 . . . . 10.0 109.301 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 40' ' ' GLU . 36.0 p -135.89 143.77 45.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 10.0 110.416 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.754 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -38.06 124.39 1.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 10.0 110.267 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.532 ' O ' ' CD2' ' A' ' 43' ' ' HIS . . . 147.4 169.3 14.66 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.493 1.121 . . . . 10.0 110.972 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.759 ' O ' ' HB2' ' A' ' 123' ' ' ALA . 0.3 OUTLIER -70.19 127.55 33.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 0.747 . . . . 10.0 109.307 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.908 ' ND1' HD22 ' A' ' 38' ' ' LEU . 21.1 m170 -112.08 175.28 5.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 10.0 109.594 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -120.03 81.39 0.33 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.482 1.114 . . . . 10.0 111.012 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.819 ' HB3' HD12 ' A' ' 117' ' ' LEU . 9.1 m-30 -89.78 136.3 33.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 0.755 . . . . 10.0 110.969 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.541 ' CE1' ' NE2' ' A' ' 120' ' ' HIS . 15.9 p80 172.79 175.45 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 10.0 109.625 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.564 ' HB ' ' CE2' ' A' ' 64' ' ' PHE . 58.0 t -71.41 165.31 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 10.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.679 ' HB3' HG21 ' A' ' 118' ' ' VAL . 0.1 OUTLIER -153.27 114.52 4.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 10.0 109.605 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -175.37 155.45 1.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 10.0 110.291 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.2 pm0 -112.04 -24.16 10.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 10.0 110.273 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 179.63 -157.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 10.0 110.3 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -132.12 76.69 1.72 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.125 . . . . 10.0 109.329 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -144.23 17.01 1.72 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 10.0 109.292 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.668 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 1.4 t -149.74 -55.66 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 10.0 110.441 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.668 ' HB2' ' O ' ' A' ' 54' ' ' THR . . . 164.89 -92.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 10.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.438 ' O ' ' CB ' ' A' ' 57' ' ' CYS . . . 175.67 66.88 0.06 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.515 1.135 . . . . 10.0 111.025 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 1.289 ' SG ' ' SG ' ' A' ' 146' ' ' CYS . 0.4 OUTLIER 164.38 92.23 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.273 -1.01 . . . . 10.0 108.273 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 67.8 p -121.44 -139.06 0.33 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.12 . . . . 10.0 110.384 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -159.23 96.39 1.31 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 10.0 110.02 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -167.68 -76.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 10.0 109.302 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 129.34 78.91 0.22 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.501 1.126 . . . . 10.0 110.963 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -173.09 1.44 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.508 1.793 . . . . 10.0 110.996 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.415 ' O ' ' CB ' ' A' ' 64' ' ' PHE . 2.9 p80 -133.9 12.89 3.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 10.0 109.652 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.564 ' CE2' ' HB ' ' A' ' 47' ' ' VAL . 0.1 OUTLIER 70.27 -158.78 0.15 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 10.0 110.968 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.576 ' OD1' HG11 ' A' ' 81' ' ' VAL . 21.1 p-10 -86.92 159.49 51.57 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 10.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 87.23 1.35 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.465 1.771 . . . . 10.0 111.013 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.537 ' HB3' HG21 ' A' ' 81' ' ' VAL . 0.3 OUTLIER -175.39 -38.36 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 10.0 109.327 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 70' ' ' LYS . 5.3 p -49.06 -20.85 0.6 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.412 1.07 . . . . 10.0 109.987 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.413 ' N ' ' C ' ' A' ' 67' ' ' LEU . 0.6 OUTLIER 68.96 -60.84 0.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 10.0 110.288 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 68' ' ' SER . 0.3 OUTLIER 70.89 -175.28 0.18 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 10.0 109.277 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.503 ' CG ' ' O ' ' A' ' 71' ' ' HIS . 2.1 t60 56.75 41.72 27.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 10.0 109.592 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -140.54 -144.18 4.43 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.52 1.137 . . . . 10.0 111.003 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -166.84 -125.17 0.76 Allowed Glycine 0 CA--C 1.531 1.035 0 N-CA-C 111.019 -0.832 . . . . 10.0 111.019 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.501 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 18.4 Cg_endo -74.97 57.04 4.42 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.487 1.783 . . . . 10.0 111.017 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.501 ' CB ' ' O ' ' A' ' 74' ' ' PRO . 0.2 OUTLIER 87.4 46.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 10.0 109.332 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.81 -29.79 13.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 10.0 109.347 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.495 ' O ' ' CB ' ' A' ' 78' ' ' GLU . 0.3 OUTLIER -125.0 7.35 7.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 10.0 110.299 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.495 ' CB ' ' O ' ' A' ' 77' ' ' GLU . 2.4 tt0 87.02 -63.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 10.0 110.29 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.469 ' CD ' ' HA ' ' A' ' 83' ' ' ASP . 1.3 ptp180 34.92 63.15 0.49 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 10.0 110.326 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -68.0 -11.99 59.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 10.0 109.617 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.586 HG12 ' N ' ' A' ' 82' ' ' GLY . 66.5 t -84.88 -97.13 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 10.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.586 ' N ' HG12 ' A' ' 81' ' ' VAL . . . -52.43 -39.34 52.32 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.434 1.084 . . . . 10.0 111.031 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.469 ' HA ' ' CD ' ' A' ' 79' ' ' ARG . 3.4 t0 38.63 -154.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 0.775 . . . . 10.0 109.321 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.445 ' HG ' HD11 ' A' ' 117' ' ' LEU . 0.2 OUTLIER 75.72 -79.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 10.0 109.294 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 105.23 -113.89 4.44 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.519 1.137 . . . . 10.0 110.998 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.452 ' N ' ' OD1' ' A' ' 86' ' ' ASN . 0.2 OUTLIER -125.55 144.18 50.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 0.763 . . . . 10.0 109.304 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.452 HG12 ' N ' ' A' ' 88' ' ' THR . 39.0 t -115.17 164.67 11.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 10.0 109.312 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.452 ' N ' HG12 ' A' ' 87' ' ' VAL . 3.2 m -123.34 139.36 54.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 10.0 110.407 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.754 ' HB3' ' HA ' ' A' ' 40' ' ' GLU . . . -84.96 174.88 9.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 10.0 109.345 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.451 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 13.2 t0 -85.27 -97.08 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 10.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.451 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 8.7 pttt -137.7 11.84 2.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 10.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -155.2 24.88 0.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 10.0 109.292 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.485 ' CA ' ' HB1' ' A' ' 89' ' ' ALA . . . 89.76 -33.06 4.54 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.474 1.109 . . . . 10.0 111.046 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.516 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 23.4 t -40.16 101.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.459 0.74 . . . . 10.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -106.86 118.18 36.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 10.0 109.266 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.443 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 0.9 OUTLIER -110.3 147.32 34.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 10.0 109.287 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.477 HG12 ' N ' ' A' ' 98' ' ' SER . 61.7 t -125.27 164.29 24.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 10.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.477 ' N ' HG12 ' A' ' 97' ' ' VAL . 24.5 p -172.31 92.54 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 10.0 110.007 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 7.5 mt -132.07 150.67 33.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 10.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -132.29 89.89 2.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 10.0 110.303 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.447 ' O ' ' HA ' ' A' ' 28' ' ' PRO . 0.3 OUTLIER -100.68 143.29 31.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 10.0 109.29 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.426 ' CA ' ' HB3' ' A' ' 28' ' ' PRO . 6.4 p -114.25 62.97 0.66 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 10.0 110.027 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 70.7 t -145.24 -51.58 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 10.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.494 ' CG1' HG21 ' A' ' 112' ' ' ILE . 0.1 OUTLIER -61.53 177.98 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 10.0 109.29 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 47.3 t -158.64 151.53 22.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 10.0 109.983 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.632 HD23 HD11 ' A' ' 151' ' ' ILE . 1.6 mp -66.56 -42.51 86.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 10.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 52.1 m -146.59 102.75 3.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.142 . . . . 10.0 109.984 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -176.05 -140.86 3.62 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.554 1.158 . . . . 10.0 111.001 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.91 -45.75 56.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 0.751 . . . . 10.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 8.4 m80 -101.51 50.93 0.85 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 10.0 109.553 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 5.0 t -51.96 123.01 9.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 10.0 110.005 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.565 HD13 ' CE2' ' A' ' 20' ' ' PHE . 2.2 pp -87.21 -25.55 6.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 10.0 109.341 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.586 HD11 HG12 ' A' ' 151' ' ' ILE . 12.1 mm -51.16 146.26 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 10.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 85.25 -12.77 57.57 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.511 1.132 . . . . 10.0 111.018 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.747 ' O ' HD12 ' A' ' 149' ' ' ILE . 8.4 ptm180 -83.93 131.7 34.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 0.759 . . . . 10.0 110.284 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.456 HG23 HG23 ' A' ' 118' ' ' VAL . 0.0 OUTLIER -128.05 153.63 46.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 10.0 110.425 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.819 HD12 ' HB3' ' A' ' 45' ' ' PHE . 4.5 mm? -94.45 58.89 2.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 10.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.703 HG13 ' O ' ' A' ' 145' ' ' ALA . 16.1 t -53.21 124.07 5.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 10.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 1.034 HG23 HD12 ' A' ' 144' ' ' LEU . 12.4 m -75.16 -178.3 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 10.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.541 ' NE2' ' CE1' ' A' ' 46' ' ' HIS . 1.9 m-70 -141.23 157.0 45.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 10.0 109.602 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.54 -11.76 26.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 10.0 110.349 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -170.99 -168.29 0.64 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 10.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.759 ' HB2' ' O ' ' A' ' 42' ' ' LEU . . . -113.03 -176.82 2.99 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.553 1.158 . . . . 10.0 109.316 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 32.9 t0 -106.24 7.39 31.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 10.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 51.13 38.14 20.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 10.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 12.4 mt 58.34 20.45 7.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 10.0 109.328 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 113.71 120.64 3.61 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.495 1.122 . . . . 10.0 111.016 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 12.4 mttm -95.79 34.47 1.51 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 0.779 . . . . 10.0 109.346 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 90.39 -11.77 70.25 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.486 1.116 . . . . 10.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 97.76 115.44 3.4 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.96 -0.856 . . . . 10.0 110.96 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' ASN . . . . . 0.696 ' N ' HG23 ' A' ' 135' ' ' THR . 28.7 m-20 -145.82 152.81 40.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 0.753 . . . . 10.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -49.99 -19.56 0.74 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 10.0 110.284 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' GLN . . . . . 0.41 ' N ' ' C ' ' A' ' 131' ' ' ASN . 1.2 tt0 -101.32 -29.59 11.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 10.0 110.278 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 134' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 137' ' ' THR . 3.7 m -85.88 -53.08 5.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 10.0 110.038 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 135' ' ' THR . . . . . 0.696 HG23 ' N ' ' A' ' 131' ' ' ASN . 74.5 p -44.6 -24.69 0.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.572 1.17 . . . . 10.0 110.404 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.447 ' HG3' ' N ' ' A' ' 137' ' ' THR . 0.1 OUTLIER -99.02 -33.16 10.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 10.0 109.278 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 137' ' ' THR . . . . . 0.459 ' OG1' ' N ' ' A' ' 138' ' ' GLY . 69.8 p -146.21 -102.4 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 10.0 110.415 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 138' ' ' GLY . . . . . 0.459 ' N ' ' OG1' ' A' ' 137' ' ' THR . . . -169.84 39.16 0.2 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.545 1.153 . . . . 10.0 110.974 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 55.86 19.17 3.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 0.763 . . . . 10.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -144.77 26.7 1.38 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.128 . . . . 10.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' GLY . . . . . 0.51 ' HA2' ' CE1' ' A' ' 120' ' ' HIS . . . -71.12 75.64 0.62 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.528 1.143 . . . . 10.0 111.001 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.44 79.46 1.89 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 0.775 . . . . 10.0 109.995 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 143' ' ' ARG . . . . . 0.512 ' HB3' HG11 ' A' ' 118' ' ' VAL . 0.0 OUTLIER -43.01 165.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 10.0 110.295 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 1.034 HD12 HG23 ' A' ' 119' ' ' VAL . 21.3 mt -146.98 -76.34 0.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 10.0 109.352 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 145' ' ' ALA . . . . . 0.703 ' O ' HG13 ' A' ' 118' ' ' VAL . . . -98.01 168.12 10.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 10.0 109.282 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 146' ' ' CYS . . . . . 1.289 ' SG ' ' SG ' ' A' ' 57' ' ' CYS . 2.6 p -155.68 67.1 0.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 10.0 108.322 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 147' ' ' GLY . . . . . 0.542 ' O ' ' HB ' ' A' ' 148' ' ' VAL . . . -45.57 -68.41 1.01 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.523 1.139 . . . . 10.0 111.013 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.85 HG23 ' O ' ' A' ' 146' ' ' CYS . 15.2 t 85.27 100.01 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 0.772 . . . . 10.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 149' ' ' ILE . . . . . 0.909 ' HA ' ' HB2' ' A' ' 6' ' ' ALA . 2.7 mp -58.53 121.63 6.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 10.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -130.43 138.05 9.93 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.49 1.119 . . . . 10.0 111.037 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 151' ' ' ILE . . . . . 0.81 HG23 HG22 ' A' ' 2' ' ' THR . 29.6 mm -54.11 149.99 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.53 0.782 . . . . 10.0 109.351 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -149.57 175.05 11.87 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.526 1.141 . . . . 10.0 109.326 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 10.0 110.309 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.267 -0.642 . . . . 10.0 109.267 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.692 HG23 ' CD1' ' A' ' 151' ' ' ILE . 0.3 OUTLIER -128.63 131.3 48.08 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.515 1.134 . . . . 10.0 110.374 179.997 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -125.03 104.26 8.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 10.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 1.014 ' HB1' HG23 ' A' ' 149' ' ' ILE . . . -85.67 152.7 22.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 10.0 109.337 179.956 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.421 ' O ' ' HA ' ' A' ' 149' ' ' ILE . 7.0 t -128.71 160.4 39.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 10.0 109.335 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.814 ' HB3' HG23 ' A' ' 18' ' ' ILE . . . -154.18 87.76 1.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 10.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.685 ' O ' HG23 ' A' ' 7' ' ' VAL . 19.1 m -83.7 79.17 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 10.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 1.023 HD12 ' HA3' ' A' ' 147' ' ' GLY . 3.4 mp -42.46 126.76 3.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 10.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.35 -82.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 10.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.66 ' HA2' ' HB2' ' A' ' 145' ' ' ALA . . . 113.13 121.9 3.85 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.498 1.124 . . . . 10.0 110.966 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.43 ' HB2' HD23 ' A' ' 144' ' ' LEU . 9.7 t0 -53.85 -25.93 22.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 0.771 . . . . 10.0 109.259 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -150.1 -98.77 0.19 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.554 1.159 . . . . 10.0 111.016 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 14' ' ' VAL . 18.5 Cg_endo -74.95 -33.39 4.69 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.479 1.779 . . . . 10.0 110.993 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.435 ' HB ' ' CA ' ' A' ' 10' ' ' GLY . 52.8 t -39.81 144.79 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 10.0 109.29 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 174.26 76.85 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 10.0 110.262 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.48 ' CA ' ' HA ' ' A' ' 35' ' ' ILE . . . -92.26 159.95 25.56 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.506 1.129 . . . . 10.0 110.961 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 35.9 mt -129.82 97.57 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.505 0.768 . . . . 10.0 109.274 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.814 HG23 ' HB3' ' A' ' 6' ' ' ALA . 0.1 OUTLIER -108.97 132.03 58.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 10.0 109.278 179.992 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.742 ' N ' HD12 ' A' ' 18' ' ' ILE . 0.2 OUTLIER -124.58 143.29 50.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.158 . . . . 10.0 109.254 -179.989 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.972 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 5.5 m-85 -111.09 118.96 37.44 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.528 1.143 . . . . 10.0 111.014 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -109.48 133.22 53.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 10.0 110.277 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.513 ' HB2' HG13 ' A' ' 29' ' ' VAL . 51.8 tt0 -143.57 102.22 3.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.576 1.173 . . . . 10.0 110.242 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.36 35.12 0.93 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 10.0 109.269 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -156.69 150.86 25.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 10.0 110.312 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 21.7 m -89.26 -3.82 58.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 10.0 109.956 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 14.3 p30 -165.87 32.68 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 10.0 109.331 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -113.24 -155.75 11.95 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.498 1.124 . . . . 10.0 111.032 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.438 ' HA ' ' O ' ' A' ' 101' ' ' ASP . 18.4 Cg_endo -74.99 165.97 30.21 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.489 1.784 . . . . 10.0 111.001 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.615 HG11 HD11 ' A' ' 106' ' ' LEU . 14.0 t -131.24 102.36 6.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 10.0 109.281 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.2 mttt -64.35 95.3 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 10.0 109.318 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.474 HG22 ' CD2' ' A' ' 20' ' ' PHE . 72.8 t -96.74 125.17 49.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 10.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.42 ' HA ' ' O ' ' A' ' 97' ' ' VAL . 7.7 p90 -153.21 149.46 28.0 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.013 -1.106 . . . . 10.0 108.013 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.45 ' O ' ' HA ' ' A' ' 96' ' ' ASP . . . -166.99 -173.35 35.2 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.504 1.127 . . . . 10.0 110.995 179.924 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 58.3 p -157.77 118.37 3.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.44 0.729 . . . . 10.0 109.985 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.655 ' HB ' ' HB3' ' A' ' 95' ' ' ALA . 0.2 OUTLIER -84.6 163.51 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 10.0 109.297 -179.995 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.454 ' N ' HG23 ' A' ' 35' ' ' ILE . 34.1 mttt -149.02 105.43 3.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 10.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.451 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 138.22 -38.33 1.71 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.494 1.121 . . . . 10.0 111.01 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.765 HD12 ' CG ' ' A' ' 43' ' ' HIS . 0.3 OUTLIER -53.91 -168.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 0.763 . . . . 10.0 109.294 179.969 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.423 ' O ' ' C ' ' A' ' 40' ' ' GLU . 11.3 p -151.85 145.34 24.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 10.0 110.406 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.664 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 2.4 tt0 -36.88 115.1 0.35 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 10.0 110.32 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.44 ' O ' ' NE2' ' A' ' 43' ' ' HIS . . . 143.16 168.55 12.04 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.522 1.139 . . . . 10.0 111.0 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 1.019 HD23 ' CG ' ' A' ' 86' ' ' ASN . 4.2 mp -66.52 156.79 33.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 0.741 . . . . 10.0 109.244 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.765 ' CG ' HD12 ' A' ' 38' ' ' LEU . 9.6 m80 -140.14 77.69 1.62 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 10.0 109.614 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 43' ' ' HIS . . . 34.64 -143.14 0.07 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.432 1.082 . . . . 10.0 110.997 -179.952 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.421 ' O ' ' O ' ' A' ' 46' ' ' HIS . 18.0 m-85 -141.44 112.46 7.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 0.758 . . . . 10.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.587 ' HD1' HG23 ' A' ' 47' ' ' VAL . 10.3 p80 -46.19 172.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 10.0 109.574 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.587 HG23 ' HD1' ' A' ' 46' ' ' HIS . 75.3 t 66.2 135.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 10.0 109.291 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.469 ' NE2' HG21 ' A' ' 116' ' ' THR . 0.0 OUTLIER -131.21 174.56 9.92 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.142 . . . . 10.0 109.636 179.997 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -39.94 -39.52 0.86 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 10.0 110.299 -179.969 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 61.91 133.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 10.0 110.272 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -179.04 -169.84 0.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 10.0 110.301 -179.965 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.492 ' O ' ' CB ' ' A' ' 53' ' ' ASN . 18.2 t70 -94.32 102.74 14.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 10.0 109.284 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.492 ' CB ' ' O ' ' A' ' 52' ' ' ASP . 6.9 m-20 155.93 66.08 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 10.0 109.268 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.527 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 4.0 t -155.13 -46.09 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 10.0 110.371 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.527 ' HB3' ' O ' ' A' ' 54' ' ' THR . . . 72.68 -58.27 0.6 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 10.0 109.317 -179.953 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -132.3 -70.05 0.09 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.492 1.12 . . . . 10.0 110.99 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -168.21 91.19 0.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.342 -0.984 . . . . 10.0 108.342 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.47 HG23 ' O ' ' A' ' 54' ' ' THR . 59.0 p -105.39 -147.36 0.39 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 10.0 110.388 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 26.2 m -160.76 105.22 1.39 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 10.0 109.989 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -111.02 -77.35 0.59 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 10.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.527 ' O ' ' CE1' ' A' ' 63' ' ' HIS . . . 164.76 84.53 0.05 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.511 1.132 . . . . 10.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 134.25 17.49 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.467 1.772 . . . . 10.0 110.973 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.527 ' CE1' ' O ' ' A' ' 61' ' ' GLY . 4.3 m80 -126.48 23.86 6.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 10.0 109.627 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.528 ' CD1' HG11 ' A' ' 81' ' ' VAL . 31.0 m-85 51.95 172.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 10.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.5 ' OD1' HG23 ' A' ' 81' ' ' VAL . 1.2 p-10 -88.32 158.76 48.72 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 10.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 83.72 1.78 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.48 1.779 . . . . 10.0 110.953 -179.965 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.656 HD12 ' CG ' ' A' ' 80' ' ' HIS . 0.1 OUTLIER -171.11 -47.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 10.0 109.284 179.975 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.498 ' O ' ' CB ' ' A' ' 69' ' ' ARG . 0.3 OUTLIER -66.14 -42.27 89.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 10.0 109.959 179.986 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.498 ' CB ' ' O ' ' A' ' 68' ' ' SER . 0.0 OUTLIER 84.47 -45.46 0.09 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.118 . . . . 10.0 110.317 -179.978 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.472 ' CB ' ' O ' ' A' ' 69' ' ' ARG . 0.3 OUTLIER 85.26 -164.69 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 10.0 109.288 -179.987 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.437 ' HB2' ' CG ' ' A' ' 128' ' ' LYS . 18.7 p-80 37.66 39.33 0.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 10.0 109.588 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.498 ' CA ' ' HB3' ' A' ' 76' ' ' ASP . . . -130.11 -163.81 11.18 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.537 1.148 . . . . 10.0 110.965 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 118.9 -86.96 0.41 Allowed Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.96 -0.856 . . . . 10.0 110.96 179.949 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -19.73 17.43 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.473 1.775 . . . . 10.0 111.009 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.52 47.09 2.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 10.0 109.337 179.923 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.498 ' HB3' ' CA ' ' A' ' 72' ' ' GLY . 5.4 t70 169.74 129.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 10.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.477 ' CG ' ' O ' ' A' ' 77' ' ' GLU . 11.3 tt0 -105.25 -2.1 24.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 10.0 110.28 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.414 ' O ' ' O ' ' A' ' 77' ' ' GLU . 0.8 OUTLIER -44.61 -96.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 10.0 110.324 179.986 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.428 ' O ' ' ND1' ' A' ' 80' ' ' HIS . 33.3 mmt180 54.14 168.89 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 10.0 110.307 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.656 ' CG ' HD12 ' A' ' 67' ' ' LEU . 0.1 OUTLIER 168.06 -31.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 10.0 109.6 -179.965 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.528 HG11 ' CD1' ' A' ' 64' ' ' PHE . 8.4 p -75.76 -47.67 32.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 10.0 109.337 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.444 ' N ' HG13 ' A' ' 81' ' ' VAL . . . -124.34 -44.62 0.29 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.479 1.112 . . . . 10.0 110.984 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 82' ' ' GLY . 11.2 t70 39.11 87.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 0.789 . . . . 10.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.44 HD22 ' HA ' ' A' ' 84' ' ' LEU . 0.2 OUTLIER -167.17 -55.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 10.0 109.309 179.981 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 120.76 -174.51 15.78 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.47 1.106 . . . . 10.0 110.991 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 1.019 ' CG ' HD23 ' A' ' 42' ' ' LEU . 9.1 p30 -84.38 130.29 34.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 0.783 . . . . 10.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.521 HG23 ' HB2' ' A' ' 43' ' ' HIS . 24.9 m -84.32 128.33 38.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.154 . . . . 10.0 109.285 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.4 ' HA ' ' O ' ' A' ' 41' ' ' GLY . 15.6 m -110.37 153.54 24.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 10.0 110.421 179.928 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.664 ' HB3' ' HA ' ' A' ' 40' ' ' GLU . . . -84.56 175.26 9.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 10.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.429 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 11.1 t0 -84.83 -97.09 0.06 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 10.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.429 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 37.2 pttt -134.21 7.09 3.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 10.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -156.55 24.71 0.34 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 10.0 109.298 -179.939 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.624 ' CA ' ' HB1' ' A' ' 89' ' ' ALA . . . 96.8 -42.29 2.22 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.516 1.135 . . . . 10.0 110.962 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.474 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 20.7 t -40.64 98.61 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.489 0.758 . . . . 10.0 109.307 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.655 ' HB3' ' HB ' ' A' ' 35' ' ' ILE . . . -95.89 111.35 23.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 10.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.45 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 2.0 t70 -99.64 155.26 17.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 10.0 109.254 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.461 HG13 HD12 ' A' ' 99' ' ' ILE . 72.5 t -131.23 153.58 39.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 10.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 80.0 p -174.45 88.06 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 10.0 110.01 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.504 HG22 ' N ' ' A' ' 100' ' ' GLU . 2.7 mp -135.72 165.45 29.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 10.0 109.256 -179.953 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.504 ' N ' HG22 ' A' ' 99' ' ' ILE . 0.0 OUTLIER -125.49 94.58 4.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 10.0 110.352 179.975 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.438 ' O ' ' HA ' ' A' ' 28' ' ' PRO . 3.1 m-20 -94.5 132.99 38.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 10.0 109.299 -179.964 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 21.9 p -123.26 -45.89 2.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 10.0 109.984 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 89.6 t -45.43 -43.67 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 10.0 109.342 179.951 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.747 ' C ' HD12 ' A' ' 104' ' ' ILE . 1.8 pp -71.32 178.1 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.102 . . . . 10.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.612 ' O ' HG23 ' A' ' 112' ' ' ILE . 0.4 OUTLIER -154.82 146.96 23.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 10.0 110.016 179.99 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.988 HD23 HD11 ' A' ' 113' ' ' ILE . 4.0 mp -77.32 -36.95 53.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.09 . . . . 10.0 109.261 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -151.94 68.84 0.89 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 10.0 109.978 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -139.37 -115.92 1.32 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.552 1.157 . . . . 10.0 111.002 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.87 -8.48 21.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 0.766 . . . . 10.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 68.4 m80 -105.45 -50.73 3.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 10.0 109.63 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.2 t 54.03 92.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 10.0 109.985 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.612 HG23 ' O ' ' A' ' 105' ' ' SER . 0.7 OUTLIER -103.01 -8.03 9.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 10.0 109.245 -179.962 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.988 HD11 HD23 ' A' ' 106' ' ' LEU . 11.2 mm -49.21 116.41 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 10.0 109.307 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 100.48 42.09 2.61 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.475 1.11 . . . . 10.0 110.981 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.671 HH22 HG21 ' A' ' 104' ' ' ILE . 2.6 mtt180 -84.25 83.43 7.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 0.773 . . . . 10.0 110.298 -179.973 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.876 HG23 HG22 ' A' ' 148' ' ' VAL . 0.4 OUTLIER -42.34 94.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 10.0 110.374 -179.988 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.541 ' O ' HD21 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -81.79 69.49 8.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 10.0 109.299 179.993 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.881 HG12 ' HA ' ' A' ' 146' ' ' CYS . 2.7 m -101.25 175.99 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 10.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.705 HG21 HD21 ' A' ' 38' ' ' LEU . 10.5 m -142.76 149.45 18.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 10.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.494 ' CE1' ' CA ' ' A' ' 141' ' ' GLY . 3.9 m-70 -86.11 168.63 13.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 10.0 109.626 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -90.66 20.56 4.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.169 . . . . 10.0 110.316 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.595 ' HB3' ' HB1' ' A' ' 140' ' ' ALA . 0.0 OUTLIER -177.75 155.56 1.03 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 10.0 109.264 179.989 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.683 ' HB1' ' HB2' ' A' ' 42' ' ' LEU . . . -69.32 155.23 40.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 10.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.522 ' O ' ' CB ' ' A' ' 125' ' ' ASP . 0.2 OUTLIER -45.91 -91.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 10.0 109.284 -179.994 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 125' ' ' ASP . . . . . 0.522 ' CB ' ' O ' ' A' ' 124' ' ' ASP . 3.9 m-20 154.49 -24.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 10.0 109.336 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.1 mt 52.34 21.86 1.84 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 10.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -99.45 75.86 0.49 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.493 1.12 . . . . 10.0 110.996 -180.0 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.437 ' CG ' ' HB2' ' A' ' 71' ' ' HIS . 0.1 OUTLIER -52.7 -24.72 9.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 0.756 . . . . 10.0 109.339 179.983 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -41.22 -48.45 4.5 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.469 1.106 . . . . 10.0 111.031 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -55.85 -172.46 0.13 Allowed Glycine 0 CA--C 1.531 1.033 0 N-CA-C 110.967 -0.853 . . . . 10.0 110.967 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 131' ' ' ASN . . . . . 0.447 ' O ' ' N ' ' A' ' 133' ' ' GLN . 68.8 m-80 -153.77 139.7 18.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 0.779 . . . . 10.0 109.245 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 131' ' ' ASN . 2.0 mp0 38.17 30.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 10.0 110.292 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 133' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 131' ' ' ASN . 0.0 OUTLIER -140.98 -72.97 0.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 10.0 110.323 179.959 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 134' ' ' SER . . . . . 0.485 ' HA ' ' CA ' ' A' ' 138' ' ' GLY . 23.6 p -95.47 -12.58 25.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 10.0 109.996 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 19.0 p -79.99 -9.59 59.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 10.0 110.384 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.38 -37.66 3.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 10.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 45.8 p -126.81 -77.84 0.58 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.122 . . . . 10.0 110.434 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 138' ' ' GLY . . . . . 0.485 ' CA ' ' HA ' ' A' ' 134' ' ' SER . . . 156.73 43.94 0.02 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.472 1.108 . . . . 10.0 110.987 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 53.1 t-20 40.25 31.07 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 0.767 . . . . 10.0 109.306 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.595 ' HB1' ' HB3' ' A' ' 122' ' ' LYS . . . -162.96 52.45 0.18 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 10.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 141' ' ' GLY . . . . . 0.494 ' CA ' ' CE1' ' A' ' 120' ' ' HIS . . . -102.23 88.66 0.69 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.468 1.105 . . . . 10.0 110.987 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 142' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 143' ' ' ARG . 0.2 OUTLIER -125.76 76.91 1.62 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 0.758 . . . . 10.0 110.042 179.974 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 143' ' ' ARG . . . . . 0.431 ' NH1' ' HB2' ' A' ' 143' ' ' ARG . 0.0 OUTLIER -37.88 155.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 10.0 110.319 -179.971 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.43 HD23 ' HB2' ' A' ' 11' ' ' ASP . 2.2 mt -132.66 -86.33 0.46 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 10.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 145' ' ' ALA . . . . . 0.66 ' HB2' ' HA2' ' A' ' 10' ' ' GLY . . . -77.88 169.77 17.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 10.0 109.272 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 146' ' ' CYS . . . . . 0.881 ' HA ' HG12 ' A' ' 118' ' ' VAL . 0.8 OUTLIER -156.91 70.35 0.63 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 10.0 108.273 -179.975 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 147' ' ' GLY . . . . . 1.023 ' HA3' HD12 ' A' ' 8' ' ' LEU . . . -68.95 -58.42 6.81 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.517 1.136 . . . . 10.0 110.967 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.876 HG22 HG23 ' A' ' 116' ' ' THR . 58.1 t 68.46 151.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 0.749 . . . . 10.0 109.314 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 149' ' ' ILE . . . . . 1.014 HG23 ' HB1' ' A' ' 4' ' ' ALA . 0.8 OUTLIER -87.84 137.47 20.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 10.0 109.281 -179.992 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 150' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 151' ' ' ILE . . . -147.5 111.31 0.55 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.478 1.111 . . . . 10.0 110.998 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 151' ' ' ILE . . . . . 0.692 ' CD1' HG23 ' A' ' 2' ' ' THR . 16.4 mm -38.48 141.39 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.535 0.785 . . . . 10.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -144.13 162.1 37.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 10.0 109.29 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 10.0 110.296 -179.975 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.634 ' HB1' ' HA ' ' A' ' 23' ' ' LYS . . . . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.28 -0.637 . . . . 10.0 109.28 . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.811 HG22 HD12 ' A' ' 151' ' ' ILE . 1.7 m -113.74 110.81 20.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 10.0 110.359 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.4 ttmt -121.21 142.09 50.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 10.0 109.281 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.993 ' HB3' ' HB2' ' A' ' 20' ' ' PHE . . . -118.6 159.59 23.31 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.457 1.098 . . . . 10.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.639 HG23 ' HB3' ' A' ' 152' ' ' ALA . 2.7 t -134.88 158.27 41.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 10.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.803 ' HB1' ' O ' ' A' ' 147' ' ' GLY . . . -155.66 93.01 1.43 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 10.0 109.291 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.416 ' O ' ' C ' ' A' ' 8' ' ' LEU . 53.8 t -81.38 98.69 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 10.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.666 HD22 ' HA3' ' A' ' 147' ' ' GLY . 1.1 mm? -39.2 152.46 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 10.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.7 tttt -175.91 107.93 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 10.0 109.277 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 11' ' ' ASP . . . -153.62 -108.31 0.33 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.531 1.144 . . . . 10.0 111.031 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 10' ' ' GLY . 13.2 t0 -39.55 -60.94 0.88 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 0.745 . . . . 10.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.511 ' N ' ' CD ' ' A' ' 13' ' ' PRO . . . 160.53 -50.32 0.37 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.491 1.12 . . . . 10.0 110.986 -180.0 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.511 ' CD ' ' N ' ' A' ' 12' ' ' GLY . 18.4 Cg_endo -75.04 -42.27 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.49 1.784 . . . . 10.0 110.99 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.672 HG22 HD13 ' A' ' 38' ' ' LEU . 43.3 t -59.76 89.56 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 10.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -115.74 42.07 2.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 10.0 110.271 -179.972 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.507 ' N ' ' HB2' ' A' ' 8' ' ' LEU . . . -52.56 166.29 1.22 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.461 1.101 . . . . 10.0 111.021 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 31.1 mt -141.87 97.03 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.47 0.747 . . . . 10.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.79 HD13 ' C ' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -114.58 139.43 40.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 10.0 109.302 179.98 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.499 ' N ' HD13 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -134.07 163.59 29.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 10.0 109.266 -179.997 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.993 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 3.5 m-30 -114.8 130.16 56.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 10.0 110.999 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.403 ' HB2' ' CH2' ' A' ' 32' ' ' TRP . 1.1 tp10 -116.85 131.29 56.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 10.0 110.307 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.422 ' HG3' HG22 ' A' ' 29' ' ' VAL . 1.7 tt0 -155.12 71.13 0.78 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.115 . . . . 10.0 110.288 -179.959 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.634 ' HA ' ' HB1' ' A' ' 1' ' ' ALA . 34.1 mtpt -83.25 51.55 1.99 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 10.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.407 ' HB3' ' N ' ' A' ' 27' ' ' GLY . 5.2 mm-40 -155.33 141.23 18.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 10.0 110.269 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 28.8 m -81.53 -13.97 57.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 10.0 109.992 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -151.69 34.23 0.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 10.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.407 ' N ' ' HB3' ' A' ' 24' ' ' GLU . . . -113.07 177.63 18.26 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.471 1.107 . . . . 10.0 111.001 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.492 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 18.4 Cg_endo -75.0 173.15 15.0 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.527 1.804 . . . . 10.0 111.027 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.422 HG22 ' HG3' ' A' ' 22' ' ' GLN . 23.6 t -113.96 95.88 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 10.0 109.287 -179.959 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.1 mttp -65.89 90.08 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 10.0 109.335 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.818 HG22 ' CD1' ' A' ' 20' ' ' PHE . 19.7 t -88.46 130.91 37.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 10.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.403 ' CH2' ' HB2' ' A' ' 21' ' ' GLU . 6.6 p90 -151.05 160.02 44.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 10.0 108.015 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -173.25 -173.12 39.36 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.527 1.142 . . . . 10.0 111.013 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.8 p -156.44 123.05 5.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 0.735 . . . . 10.0 110.011 179.973 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 1.094 ' CG2' HD21 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -87.06 165.16 2.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 10.0 109.305 -179.99 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.488 ' N ' HG23 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -160.08 108.88 1.73 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 10.0 109.278 -180.0 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.459 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 157.92 -63.68 0.31 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.479 1.112 . . . . 10.0 111.04 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 1.094 HD21 ' CG2' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -54.68 -165.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 0.74 . . . . 10.0 109.302 179.988 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 57.7 p -134.68 160.77 37.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 10.0 110.434 179.965 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.654 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 0.8 OUTLIER -40.11 129.77 2.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 10.0 110.25 -179.97 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 136.38 173.49 12.97 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.493 1.121 . . . . 10.0 110.954 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.763 ' HB2' ' HB1' ' A' ' 123' ' ' ALA . 5.3 mp -63.68 162.27 13.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 0.756 . . . . 10.0 109.337 179.958 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.476 ' CE1' ' HB2' ' A' ' 38' ' ' LEU . 85.9 m-70 -155.09 128.07 8.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.427 1.079 . . . . 10.0 109.614 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 43' ' ' HIS . . . -37.18 154.02 0.01 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.488 1.117 . . . . 10.0 111.022 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.606 ' CD2' ' O ' ' A' ' 83' ' ' ASP . 3.9 t80 -86.14 155.98 20.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 0.766 . . . . 10.0 110.995 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.719 ' C ' HG23 ' A' ' 47' ' ' VAL . 7.5 p80 -65.28 175.21 1.76 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 10.0 109.613 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.719 HG23 ' C ' ' A' ' 46' ' ' HIS . 2.2 t 80.77 94.1 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 10.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.5 ' CG ' ' O ' ' A' ' 48' ' ' HIS . 14.6 p-80 -124.57 59.68 1.19 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 10.0 109.561 -179.948 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 174.94 170.82 0.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 10.0 110.342 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -53.04 -175.37 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.504 1.127 . . . . 10.0 110.284 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -70.35 -152.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 10.0 110.301 179.996 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.411 ' O ' ' CG ' ' A' ' 53' ' ' ASN . 4.0 p-10 -46.36 100.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 10.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.411 ' CG ' ' O ' ' A' ' 52' ' ' ASP . 1.9 m120 169.78 66.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 10.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.535 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 3.7 t -155.26 -44.33 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 10.0 110.39 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.535 ' HB3' ' O ' ' A' ' 54' ' ' THR . . . 74.22 -58.16 0.59 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 10.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.743 ' HA2' HG21 ' A' ' 148' ' ' VAL . . . -140.72 -82.12 0.07 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.529 1.143 . . . . 10.0 110.978 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -175.03 91.87 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.269 -1.011 . . . . 10.0 108.269 -179.946 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 60' ' ' ALA . 75.0 p -108.45 99.4 8.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 10.0 110.42 179.967 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.6 m -48.83 93.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 10.0 109.96 -179.962 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 58' ' ' THR . . . -130.94 -65.63 0.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 10.0 109.26 -179.985 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -144.39 66.12 0.45 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.453 1.096 . . . . 10.0 111.047 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.498 ' O ' ' CZ ' ' A' ' 143' ' ' ARG . 18.3 Cg_endo -75.0 55.12 3.85 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.499 1.789 . . . . 10.0 110.956 -179.957 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.425 ' O ' ' O ' ' A' ' 64' ' ' PHE . 55.0 p-80 -119.1 96.83 5.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 10.0 109.642 179.961 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.431 ' CE1' ' O ' ' A' ' 47' ' ' VAL . 0.6 OUTLIER -37.87 158.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 10.0 110.979 -179.974 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 7.7 p-10 -84.27 122.78 75.58 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.456 1.097 . . . . 10.0 109.312 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 54.19 3.55 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.478 1.778 . . . . 10.0 111.021 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.405 HD22 HG21 ' A' ' 81' ' ' VAL . 10.2 tt -94.21 -45.7 7.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 10.0 109.319 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.405 ' HB3' ' N ' ' A' ' 79' ' ' ARG . 0.5 OUTLIER -111.0 -45.0 3.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 10.0 110.01 179.99 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.402 ' NH2' ' O ' ' A' ' 64' ' ' PHE . 3.2 ptt180 -71.33 62.74 0.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 10.0 110.27 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.96 57.64 0.97 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 10.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.406 ' C ' ' OE1' ' A' ' 78' ' ' GLU . 0.1 OUTLIER 63.21 133.74 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 10.0 109.61 -179.988 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 156.37 -130.64 2.77 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.523 1.139 . . . . 10.0 110.972 179.944 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.465 ' O ' ' N ' ' A' ' 78' ' ' GLU . . . -124.95 133.28 8.44 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.044 -0.822 . . . . 10.0 111.044 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 76.14 3.49 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.515 1.797 . . . . 10.0 110.964 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.57 -38.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 10.0 109.278 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.455 ' HA ' ' CG ' ' A' ' 80' ' ' HIS . 0.9 OUTLIER -154.62 -43.14 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.107 . . . . 10.0 109.328 -179.99 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -83.12 11.49 6.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 10.0 110.341 179.961 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.562 ' O ' ' C ' ' A' ' 79' ' ' ARG . 0.5 OUTLIER -162.75 145.64 10.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 10.0 110.292 -179.991 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.562 ' C ' ' O ' ' A' ' 78' ' ' GLU . 0.0 OUTLIER 25.07 67.83 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 10.0 110.268 -179.983 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.455 ' CG ' ' HA ' ' A' ' 76' ' ' ASP . 81.5 t60 -125.42 3.76 7.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 10.0 109.64 179.96 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.405 HG21 HD22 ' A' ' 67' ' ' LEU . 54.4 t -129.53 88.79 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 10.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 107.58 -51.88 0.69 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.535 1.147 . . . . 10.0 110.997 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.606 ' O ' ' CD2' ' A' ' 45' ' ' PHE . 15.7 m-20 -80.25 -68.08 0.71 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 0.764 . . . . 10.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.488 ' CB ' ' O ' ' A' ' 83' ' ' ASP . 0.2 OUTLIER 87.2 -67.6 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.112 . . . . 10.0 109.326 -179.971 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.402 ' HA2' ' CZ ' ' A' ' 79' ' ' ARG . . . -146.14 -141.52 3.63 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.47 1.106 . . . . 10.0 110.997 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -146.1 170.83 15.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 0.781 . . . . 10.0 109.338 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.404 ' O ' ' HA ' ' A' ' 42' ' ' LEU . 33.1 m -126.17 157.46 36.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 10.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 4.4 m -111.02 147.78 34.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 10.0 110.406 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.654 ' HB3' ' HA ' ' A' ' 40' ' ' GLU . . . -84.71 168.3 15.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 10.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.448 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 25.4 t0 -72.88 -100.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.155 . . . . 10.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.448 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 31.2 pttt -134.7 6.21 3.45 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 10.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -149.69 19.35 0.91 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 10.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.584 ' CA ' ' HB1' ' A' ' 89' ' ' ALA . . . 103.25 -46.92 1.15 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.533 1.145 . . . . 10.0 111.009 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.549 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 53.7 t -36.02 111.62 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.533 0.784 . . . . 10.0 109.311 -179.957 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -116.78 123.29 46.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 10.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -109.34 145.55 35.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 10.0 109.273 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.403 ' O ' ' HA ' ' A' ' 32' ' ' TRP . 28.7 t -120.41 160.31 21.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.148 . . . . 10.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.4 t -165.41 95.78 0.66 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 10.0 110.03 179.963 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.3 mt -121.65 148.65 24.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 10.0 109.271 -179.969 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -129.07 90.97 3.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.166 . . . . 10.0 110.287 179.981 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.492 ' O ' ' CB ' ' A' ' 28' ' ' PRO . 80.0 m-20 -105.21 148.21 27.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 10.0 109.321 179.936 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.2 p -115.86 -36.83 4.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 10.0 110.008 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 73.4 t -53.38 -48.16 57.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 10.0 109.333 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.638 HD13 HD13 ' A' ' 112' ' ' ILE . 2.8 pp -64.1 171.97 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.491 1.119 . . . . 10.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -159.81 166.01 31.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 10.0 110.015 -179.957 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.904 HD23 HD11 ' A' ' 113' ' ' ILE . 1.5 mp -77.81 -37.54 48.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 10.0 109.296 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -149.13 118.44 6.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 10.0 110.0 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 171.02 -121.5 0.91 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.516 1.135 . . . . 10.0 110.949 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -92.31 -32.63 14.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 0.775 . . . . 10.0 109.286 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 -87.71 -61.23 1.76 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 10.0 109.618 -179.98 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.7 p 58.04 103.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.571 1.169 . . . . 10.0 110.013 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.696 HD12 ' CE2' ' A' ' 20' ' ' PHE . 44.1 pt -97.56 -17.69 6.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 10.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.904 HD11 HD23 ' A' ' 106' ' ' LEU . 14.6 mm -59.59 117.01 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 10.0 109.255 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 108.94 26.0 5.43 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.478 1.111 . . . . 10.0 110.992 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.602 ' O ' HD12 ' A' ' 149' ' ' ILE . 5.7 mtt180 -86.85 76.88 9.37 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 0.759 . . . . 10.0 110.329 179.999 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.521 ' OG1' HG22 ' A' ' 148' ' ' VAL . 31.0 m -45.33 93.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 10.0 110.386 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.854 HD12 HD11 ' A' ' 149' ' ' ILE . 0.1 OUTLIER -69.26 143.9 53.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 10.0 109.302 179.975 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.573 HG21 ' HB2' ' A' ' 143' ' ' ARG . 7.5 p -158.43 166.85 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 10.0 109.317 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.618 ' CG2' HG11 ' A' ' 14' ' ' VAL . 2.1 m -136.4 160.33 37.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 10.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -88.62 -167.02 1.75 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 10.0 109.586 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.466 ' CA ' HD21 ' A' ' 144' ' ' LEU . 0.5 OUTLIER -105.55 -39.9 5.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 10.0 110.357 179.979 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.09 178.28 5.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 10.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.763 ' HB1' ' HB2' ' A' ' 42' ' ' LEU . . . -80.01 161.35 25.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 10.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.457 ' CG ' ' HB2' ' A' ' 140' ' ' ALA . 0.2 OUTLIER -94.55 91.04 6.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 10.0 109.354 179.936 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -62.11 -24.97 67.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.105 . . . . 10.0 109.315 -179.958 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.475 HD21 ' CD ' ' A' ' 79' ' ' ARG . 30.9 mt 58.63 19.17 6.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 10.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 158.34 116.07 0.46 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.553 1.158 . . . . 10.0 110.957 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.82 -35.19 5.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 0.749 . . . . 10.0 109.327 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 149.97 -45.8 0.66 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.47 1.106 . . . . 10.0 111.001 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -87.47 159.88 31.18 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 110.954 -0.858 . . . . 10.0 110.954 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 131' ' ' ASN . . . . . 0.517 ' O ' ' CB ' ' A' ' 132' ' ' GLU . 5.4 m-80 -112.9 111.39 22.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 0.748 . . . . 10.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.517 ' CB ' ' O ' ' A' ' 131' ' ' ASN . 1.4 mt-10 159.85 -22.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 10.0 110.297 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 133' ' ' GLN . . . . . 0.443 ' O ' ' CG ' ' A' ' 136' ' ' LYS . 0.8 OUTLIER -110.67 -64.83 1.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 10.0 110.334 179.989 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 134' ' ' SER . . . . . 0.502 ' HA ' ' CA ' ' A' ' 138' ' ' GLY . 0.3 OUTLIER -69.49 -27.03 64.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 10.0 110.028 179.955 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 135' ' ' THR . . . . . 0.509 ' OG1' ' N ' ' A' ' 132' ' ' GLU . 7.0 p -76.28 -13.87 60.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 10.0 110.398 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.606 ' HG3' HG23 ' A' ' 137' ' ' THR . 31.1 pttt -105.42 -30.74 9.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 10.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 137' ' ' THR . . . . . 0.606 HG23 ' HG3' ' A' ' 136' ' ' LYS . 74.1 p -137.6 -71.68 0.43 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 10.0 110.388 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 138' ' ' GLY . . . . . 0.502 ' CA ' ' HA ' ' A' ' 134' ' ' SER . . . 144.32 43.53 0.05 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.457 1.098 . . . . 10.0 110.99 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 1.6 m120 47.57 24.82 0.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 0.771 . . . . 10.0 109.281 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.457 ' HB2' ' CG ' ' A' ' 124' ' ' ASP . . . -64.51 -62.0 1.86 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.539 1.149 . . . . 10.0 109.355 179.951 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 142.07 -119.01 1.37 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.455 1.097 . . . . 10.0 110.982 179.991 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 142' ' ' SER . . . . . 0.848 ' O ' HD23 ' A' ' 144' ' ' LEU . 2.5 t -151.95 122.71 7.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 0.723 . . . . 10.0 110.042 -179.985 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 143' ' ' ARG . . . . . 0.573 ' HB2' HG21 ' A' ' 118' ' ' VAL . 0.0 OUTLIER -42.87 151.14 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 10.0 110.308 179.989 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.848 HD23 ' O ' ' A' ' 142' ' ' SER . 0.4 OUTLIER -162.47 77.49 0.48 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 10.0 109.308 179.978 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 145' ' ' ALA . . . . . 0.682 ' HB2' ' O ' ' A' ' 144' ' ' LEU . . . 162.54 160.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.421 1.076 . . . . 10.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 146' ' ' CYS . . . . . 0.413 ' HA ' ' O ' ' A' ' 117' ' ' LEU . 1.3 m -156.23 65.41 0.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.103 . . . . 10.0 108.251 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 147' ' ' GLY . . . . . 0.803 ' O ' ' HB1' ' A' ' 6' ' ' ALA . . . -79.64 63.73 3.95 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.504 1.127 . . . . 10.0 111.0 179.958 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.743 HG21 ' HA2' ' A' ' 56' ' ' GLY . 2.6 t -53.54 127.97 12.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.519 0.776 . . . . 10.0 109.346 179.961 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 149' ' ' ILE . . . . . 0.854 HD11 HD12 ' A' ' 117' ' ' LEU . 3.7 mp -85.07 122.05 37.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 10.0 109.29 -179.966 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -138.14 140.02 10.82 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.494 1.121 . . . . 10.0 110.951 -179.969 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 151' ' ' ILE . . . . . 0.811 HD12 HG22 ' A' ' 2' ' ' THR . 18.5 mm -51.58 144.27 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.522 0.778 . . . . 10.0 109.316 179.926 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 152' ' ' ALA . . . . . 0.639 ' HB3' HG23 ' A' ' 5' ' ' VAL . . . -148.68 160.76 42.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 10.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 10.0 110.332 179.973 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.485 ' N ' ' O ' ' A' ' 22' ' ' GLN . . . . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.313 -0.625 . . . . 10.0 109.313 . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.928 HG21 HD12 ' A' ' 151' ' ' ILE . 93.6 m -95.26 167.03 11.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 10.0 110.388 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.583 ' O ' ' HB3' ' A' ' 152' ' ' ALA . 1.7 ttmt -119.15 102.67 8.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 10.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.996 ' HB3' ' HB2' ' A' ' 20' ' ' PHE . . . -83.93 167.98 16.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 10.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.662 HG22 ' HB2' ' A' ' 152' ' ' ALA . 0.1 OUTLIER -154.71 148.95 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 10.0 109.332 -179.975 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.649 ' HB3' ' CG1' ' A' ' 18' ' ' ILE . . . -144.42 104.73 4.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 10.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.458 ' O ' HG13 ' A' ' 7' ' ' VAL . 6.3 p -82.27 87.38 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 10.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.666 HD22 ' HA3' ' A' ' 147' ' ' GLY . 0.7 OUTLIER -39.27 141.99 0.29 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 10.0 109.272 -179.963 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -176.75 121.66 0.14 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 10.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -174.66 -73.71 0.05 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.529 1.143 . . . . 10.0 110.998 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.91 ' CB ' HD12 ' A' ' 144' ' ' LEU . 66.8 t0 -54.6 -41.04 69.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 0.743 . . . . 10.0 109.353 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.422 ' N ' ' CD ' ' A' ' 13' ' ' PRO . . . 124.18 -55.9 0.7 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.524 1.14 . . . . 10.0 110.987 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.422 ' CD ' ' N ' ' A' ' 12' ' ' GLY . 18.3 Cg_endo -74.99 -24.1 13.18 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.524 1.802 . . . . 10.0 111.018 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.517 ' CG1' ' O ' ' A' ' 14' ' ' VAL . 0.3 OUTLIER -90.9 113.12 26.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 10.0 109.273 179.987 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -131.94 49.83 2.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 10.0 110.263 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.48 ' N ' ' HB2' ' A' ' 8' ' ' LEU . . . -61.46 166.93 14.5 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.51 1.131 . . . . 10.0 110.996 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 52.6 mt -141.78 110.16 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.539 0.788 . . . . 10.0 109.266 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.765 HD13 ' CE1' ' A' ' 20' ' ' PHE . 0.6 OUTLIER -97.52 161.13 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 10.0 109.317 179.985 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.702 ' N ' HD12 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -150.94 118.47 6.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 10.0 109.269 -179.969 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.996 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 3.9 m-30 -106.61 98.01 7.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 10.0 111.006 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 30' ' ' LYS . 21.8 tt0 -113.62 135.82 53.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.082 . . . . 10.0 110.293 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.485 ' O ' ' N ' ' A' ' 1' ' ' ALA . 1.1 tt0 -137.59 58.41 1.7 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 10.0 110.327 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.84 66.13 0.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 10.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.408 ' O ' ' CB ' ' A' ' 25' ' ' SER . 1.7 mm-40 -136.6 -50.11 0.66 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 10.0 110.274 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.408 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 0.1 OUTLIER 79.47 -4.7 1.99 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 10.0 110.007 -179.977 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 19.5 m-20 -163.82 29.24 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 10.0 109.273 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -137.84 -173.9 13.14 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.53 1.144 . . . . 10.0 110.98 -179.967 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.422 ' HA ' ' HA ' ' A' ' 102' ' ' SER . 18.3 Cg_endo -75.03 156.97 42.88 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.473 1.775 . . . . 10.0 111.001 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.3 t -84.34 122.43 37.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 10.0 109.307 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 21' ' ' GLU . 21.2 mttt -75.44 89.36 2.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.128 . . . . 10.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.776 HG13 ' CE1' ' A' ' 20' ' ' PHE . 21.6 t -88.65 126.55 41.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 10.0 109.321 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.56 ' CE2' ' CG ' ' A' ' 19' ' ' ASN . 0.0 OUTLIER -155.95 167.96 28.76 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.002 -1.11 . . . . 10.0 108.002 -179.975 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.469 ' N ' ' CD1' ' A' ' 32' ' ' TRP . . . 178.38 -173.45 45.86 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.515 1.134 . . . . 10.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.7 m -156.03 116.76 3.77 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.466 0.745 . . . . 10.0 109.978 -179.963 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.895 HG21 HD12 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -85.25 161.09 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 10.0 109.272 -179.953 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.437 ' CG ' ' O ' ' A' ' 35' ' ' ILE . 21.8 mttt -153.93 99.06 2.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 10.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 146.65 -35.12 1.32 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.492 1.12 . . . . 10.0 111.019 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.895 HD12 HG21 ' A' ' 35' ' ' ILE . 8.0 mt -53.34 -170.32 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 0.744 . . . . 10.0 109.33 179.942 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.1 p -133.95 130.64 37.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 10.0 110.384 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.722 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -41.47 109.27 0.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 10.0 110.33 179.965 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.441 ' C ' HD13 ' A' ' 42' ' ' LEU . . . 154.03 -144.33 11.12 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.497 1.123 . . . . 10.0 110.99 -179.977 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.885 ' C ' ' HB2' ' A' ' 123' ' ' ALA . 0.2 OUTLIER -97.71 149.96 21.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 0.76 . . . . 10.0 109.291 -179.974 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.558 ' CE1' ' HB ' ' A' ' 87' ' ' VAL . 3.5 p80 -155.45 135.0 12.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 10.0 109.578 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.519 ' HA3' ' CD2' ' A' ' 120' ' ' HIS . . . -40.16 161.49 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.442 1.089 . . . . 10.0 110.994 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.55 ' CG ' ' O ' ' A' ' 83' ' ' ASP . 28.1 t80 -103.1 163.2 12.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 0.768 . . . . 10.0 111.067 179.953 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.725 ' C ' HG23 ' A' ' 47' ' ' VAL . 2.3 m-70 -67.2 175.68 2.54 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.505 1.128 . . . . 10.0 109.615 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.725 HG23 ' C ' ' A' ' 46' ' ' HIS . 2.5 t 83.75 122.63 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 10.0 109.303 179.95 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.477 ' NE2' ' CZ ' ' A' ' 143' ' ' ARG . 5.0 p-80 -147.81 147.58 29.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 10.0 109.587 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 75.21 -80.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 10.0 110.277 179.956 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -156.66 -57.76 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 10.0 110.308 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -165.53 -57.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 10.0 110.323 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 57.31 166.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 10.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 55.8 m-80 -153.13 42.51 0.59 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 10.0 109.322 -179.95 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.49 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 1.3 t -140.53 -52.24 0.48 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 10.0 110.388 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.49 ' HB3' ' O ' ' A' ' 54' ' ' THR . . . 71.3 116.16 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 10.0 109.256 179.972 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -106.43 -40.94 1.83 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.576 1.172 . . . . 10.0 110.983 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 1.048 ' SG ' ' CB ' ' A' ' 146' ' ' CYS . 0.5 OUTLIER 58.37 74.8 0.42 Allowed 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.297 -1.001 . . . . 10.0 108.297 -179.989 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 30.1 p -143.33 -142.83 0.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 10.0 110.427 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.6 t -158.02 86.45 0.9 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 10.0 110.018 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -112.1 -55.78 2.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 10.0 109.309 179.972 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 165.99 138.06 2.34 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.503 1.127 . . . . 10.0 111.058 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.434 ' HB2' ' CZ ' ' A' ' 64' ' ' PHE . 18.2 Cg_endo -75.0 149.15 36.27 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.463 1.77 . . . . 10.0 110.979 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -127.08 -56.36 1.34 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 10.0 109.588 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.533 ' CD1' ' N ' ' A' ' 64' ' ' PHE . 3.1 m-30 57.97 162.16 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 10.0 111.005 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 -95.78 122.47 58.63 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 10.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 81.25 2.24 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.472 1.775 . . . . 10.0 111.01 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.61 HD22 ' O ' ' A' ' 67' ' ' LEU . 0.5 OUTLIER -155.59 -48.93 0.08 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.14 . . . . 10.0 109.285 179.991 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.465 ' HB2' HD13 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -121.63 -38.39 2.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 10.0 109.98 -179.943 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 69' ' ' ARG . 14.5 mtp180 -76.33 56.34 1.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 10.0 110.318 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -158.58 68.94 0.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 10.0 109.278 -179.945 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.451 ' CG ' ' O ' ' A' ' 71' ' ' HIS . 36.9 t-80 40.71 48.21 2.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 10.0 109.59 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -147.75 -176.56 21.44 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.473 1.108 . . . . 10.0 111.019 -180.0 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 146.91 -135.04 5.52 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.023 -0.831 . . . . 10.0 111.023 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.518 ' HD3' ' CG ' ' A' ' 80' ' ' HIS . 18.2 Cg_endo -75.06 -29.8 7.75 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.479 1.778 . . . . 10.0 110.98 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.03 36.92 0.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 10.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.19 80.6 0.19 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 10.0 109.341 -179.933 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.482 ' HA ' HD21 ' A' ' 126' ' ' LEU . 0.8 OUTLIER -129.44 2.73 5.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 10.0 110.323 179.995 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.411 ' CD ' ' O ' ' A' ' 136' ' ' LYS . 24.6 tt0 61.19 128.08 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 10.0 110.299 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.417 ' NH2' ' OD2' ' A' ' 124' ' ' ASP . 55.7 mtm180 49.8 90.72 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 10.0 110.32 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.518 ' CG ' ' HD3' ' A' ' 74' ' ' PRO . 2.6 t-80 -114.98 -12.94 11.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 10.0 109.586 -179.965 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 53.9 t -107.77 -32.66 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 10.0 109.316 179.99 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -90.88 -88.93 1.37 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.479 1.112 . . . . 10.0 110.992 -179.982 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.55 ' O ' ' CG ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -65.58 -14.3 60.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 0.747 . . . . 10.0 109.324 179.97 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.639 HD23 ' H ' ' A' ' 85' ' ' GLY . 0.4 OUTLIER 54.66 -92.65 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 10.0 109.312 -179.966 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.639 ' H ' HD23 ' A' ' 84' ' ' LEU . . . -123.96 169.18 16.06 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.458 1.099 . . . . 10.0 111.027 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -84.21 173.75 10.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 0.799 . . . . 10.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.695 HG12 ' H ' ' A' ' 88' ' ' THR . 2.6 t -126.42 178.28 4.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 10.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.695 ' H ' HG12 ' A' ' 87' ' ' VAL . 51.8 m -144.25 134.49 24.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 10.0 110.432 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.722 ' HB3' ' HA ' ' A' ' 40' ' ' GLU . . . -85.92 175.19 8.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 10.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.445 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 6.7 t70 -82.21 -97.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 10.0 109.334 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.504 ' CG ' ' O ' ' A' ' 91' ' ' LYS . 9.1 ttpt -138.44 10.61 2.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 10.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -150.41 21.06 0.84 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.562 1.164 . . . . 10.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.46 ' CA ' ' HB1' ' A' ' 89' ' ' ALA . . . 89.91 -30.52 5.78 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.525 1.141 . . . . 10.0 110.96 179.911 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.563 HG13 ' O ' ' A' ' 35' ' ' ILE . 18.9 t -44.59 104.14 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 0.751 . . . . 10.0 109.257 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.406 ' HB3' ' HB ' ' A' ' 35' ' ' ILE . . . -106.92 116.55 32.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 10.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.412 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 1.2 t70 -108.25 145.09 34.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 10.0 109.267 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.454 HG12 ' N ' ' A' ' 98' ' ' SER . 23.9 t -110.65 165.15 6.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 10.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.454 ' N ' HG12 ' A' ' 97' ' ' VAL . 87.6 p 179.34 93.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 10.0 109.971 179.951 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.493 HG22 ' H ' ' A' ' 100' ' ' GLU . 1.2 mt -143.87 173.37 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 10.0 109.277 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.493 ' H ' HG22 ' A' ' 99' ' ' ILE . 17.1 mt-10 -137.3 107.29 6.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 10.0 110.338 179.961 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -111.31 123.06 49.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 10.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.422 ' HA ' ' HA ' ' A' ' 28' ' ' PRO . 0.1 OUTLIER -117.13 74.36 0.91 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 10.0 109.976 179.998 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 55.8 t -150.13 -47.25 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 10.0 109.272 179.985 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.692 HG13 HG21 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -87.47 -169.03 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 10.0 109.307 -179.983 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.426 ' N ' HG12 ' A' ' 104' ' ' ILE . 0.4 OUTLIER -153.38 158.68 41.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 10.0 109.955 -179.977 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -85.65 -43.03 13.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 10.0 109.275 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -148.7 76.0 1.33 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 10.0 110.019 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -148.27 -126.09 1.55 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.587 1.179 . . . . 10.0 111.011 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -94.76 5.51 51.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 0.764 . . . . 10.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 26.4 m-70 -122.87 -56.19 1.77 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.095 . . . . 10.0 109.609 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 7.5 t 45.86 94.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 10.0 110.005 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.692 HG21 HG13 ' A' ' 104' ' ' ILE . 1.1 pt -90.43 -7.54 10.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 10.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 18.0 mt -49.78 127.76 5.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 10.0 109.285 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 121.37 3.1 10.6 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.462 1.101 . . . . 10.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.558 ' O ' HD22 ' A' ' 117' ' ' LEU . 30.9 mtt180 -85.27 83.0 8.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 0.734 . . . . 10.0 110.325 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.763 ' O ' HG23 ' A' ' 118' ' ' VAL . 9.8 t -55.71 106.28 0.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 10.0 110.366 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.615 HD21 HD11 ' A' ' 149' ' ' ILE . 3.8 mm? -61.14 88.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.1 . . . . 10.0 109.267 -180.0 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.836 HG11 ' HG2' ' A' ' 143' ' ' ARG . 3.4 t -84.7 151.09 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 10.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.5 ' CG1' HD11 ' A' ' 38' ' ' LEU . 65.9 t -135.86 127.56 44.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 10.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.519 ' CD2' ' HA3' ' A' ' 44' ' ' GLY . 4.9 m-70 -84.78 131.69 34.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 10.0 109.58 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.57 -39.99 50.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 10.0 110.351 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.864 ' HB3' ' HB1' ' A' ' 140' ' ' ALA . 0.6 OUTLIER -120.06 168.85 10.76 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.129 . . . . 10.0 109.258 -179.98 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.885 ' HB2' ' C ' ' A' ' 42' ' ' LEU . . . -94.12 -164.51 1.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 10.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.417 ' OD2' ' NH2' ' A' ' 79' ' ' ARG . 0.5 OUTLIER -152.0 96.23 2.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 10.0 109.287 -179.989 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 125' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 126' ' ' LEU . 13.9 m-20 -86.57 48.19 1.6 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 10.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.482 HD21 ' HA ' ' A' ' 77' ' ' GLU . 2.2 mp 39.42 68.15 0.39 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 10.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 127' ' ' GLY . . . . . 0.443 ' C ' ' N ' ' A' ' 129' ' ' GLY . . . -93.27 -45.84 3.43 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.53 1.144 . . . . 10.0 110.948 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.781 ' HB2' HG22 ' A' ' 135' ' ' THR . 9.0 pttp 41.56 28.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 0.768 . . . . 10.0 109.303 -179.942 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.443 ' N ' ' C ' ' A' ' 127' ' ' GLY . . . -41.09 -40.43 2.4 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.46 1.1 . . . . 10.0 111.062 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -101.67 -134.52 8.49 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.023 -0.831 . . . . 10.0 111.023 179.951 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -154.42 139.47 17.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 0.754 . . . . 10.0 109.333 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 59.82 22.89 11.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 10.0 110.271 -179.977 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -134.52 -80.23 0.45 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 10.0 110.27 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 134' ' ' SER . . . . . 0.422 ' HB3' ' N ' ' A' ' 139' ' ' ASN . 1.2 p -75.09 -27.94 60.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 10.0 110.031 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 135' ' ' THR . . . . . 0.781 HG22 ' HB2' ' A' ' 128' ' ' LYS . 17.6 p -46.48 -31.32 2.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 10.0 110.415 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.411 ' O ' ' CD ' ' A' ' 78' ' ' GLU . 5.9 pttt -101.37 -28.34 12.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 10.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 137' ' ' THR . . . . . 0.426 ' OG1' ' N ' ' A' ' 138' ' ' GLY . 68.6 p -123.83 -101.19 0.4 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 10.0 110.372 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 138' ' ' GLY . . . . . 0.455 ' O ' ' N ' ' A' ' 140' ' ' ALA . . . 173.89 35.26 0.04 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.503 1.127 . . . . 10.0 111.007 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 139' ' ' ASN . . . . . 0.454 ' C ' ' O ' ' A' ' 138' ' ' GLY . 7.2 t-20 35.94 34.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 0.782 . . . . 10.0 109.307 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.864 ' HB1' ' HB3' ' A' ' 122' ' ' LYS . . . -98.93 -58.75 1.87 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 10.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -167.34 -136.09 1.98 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.488 1.117 . . . . 10.0 111.013 179.978 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 142' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 143' ' ' ARG . 1.0 OUTLIER -176.77 -168.51 0.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 0.795 . . . . 10.0 109.989 179.996 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 143' ' ' ARG . . . . . 0.931 ' O ' HD22 ' A' ' 144' ' ' LEU . 11.0 mtp180 -38.83 145.75 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.087 . . . . 10.0 110.306 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.931 HD22 ' O ' ' A' ' 143' ' ' ARG . 0.2 OUTLIER -161.68 28.35 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 10.0 109.303 179.997 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 145' ' ' ALA . . . . . 0.43 ' HB1' ' CD1' ' A' ' 8' ' ' LEU . . . -167.43 169.08 12.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 10.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 146' ' ' CYS . . . . . 1.048 ' CB ' ' SG ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER -155.0 72.58 0.84 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 10.0 108.305 179.985 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 147' ' ' GLY . . . . . 0.666 ' HA3' HD22 ' A' ' 8' ' ' LEU . . . -89.51 72.11 2.19 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.464 1.103 . . . . 10.0 111.03 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 18.8 t -65.31 136.72 26.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.534 0.785 . . . . 10.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 149' ' ' ILE . . . . . 0.77 HG23 ' HB1' ' A' ' 4' ' ' ALA . 1.1 mp -73.74 111.55 9.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 10.0 109.301 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 150' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 151' ' ' ILE . . . -120.99 111.7 1.97 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.486 1.116 . . . . 10.0 110.994 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 151' ' ' ILE . . . . . 0.928 HD12 HG21 ' A' ' 2' ' ' THR . 13.8 mm -39.62 142.22 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.765 . . . . 10.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 152' ' ' ALA . . . . . 0.662 ' HB2' HG22 ' A' ' 5' ' ' VAL . . . -103.8 168.62 9.02 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.505 1.128 . . . . 10.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 10.0 110.313 -179.979 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 22' ' ' GLN . . . . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.325 -0.62 . . . . 10.0 109.325 . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.718 HG22 ' O ' ' A' ' 2' ' ' THR . 0.9 OUTLIER -82.63 78.71 9.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 10.0 110.419 179.994 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -92.39 99.98 12.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 10.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 1.013 ' HB1' HG23 ' A' ' 149' ' ' ILE . . . -85.28 149.94 25.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 10.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 6.1 t -118.96 151.23 21.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 10.0 109.33 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.839 ' HB3' HG23 ' A' ' 18' ' ' ILE . . . -155.52 86.75 1.08 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 10.0 109.328 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.573 HG23 HG12 ' A' ' 17' ' ' ILE . 7.4 p -84.21 107.42 15.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 10.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.674 HD11 ' CD2' ' A' ' 117' ' ' LEU . 0.8 OUTLIER -56.34 130.97 46.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 10.0 109.356 179.977 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.607 ' N ' ' HB1' ' A' ' 145' ' ' ALA . 18.9 tttt -159.1 132.17 7.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 10.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 11' ' ' ASP . . . 176.07 -94.97 0.1 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.475 1.109 . . . . 10.0 111.006 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 10' ' ' GLY . 45.3 t0 -38.43 -63.17 0.52 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 0.749 . . . . 10.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.418 ' N ' ' CD ' ' A' ' 13' ' ' PRO . . . 157.57 -55.79 0.38 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.448 1.092 . . . . 10.0 110.997 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.418 ' CD ' ' N ' ' A' ' 12' ' ' GLY . 18.4 Cg_endo -74.99 -38.5 1.57 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.477 1.777 . . . . 10.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.486 HG12 ' O ' ' A' ' 14' ' ' VAL . 3.2 t -65.14 94.55 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 10.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -119.59 37.77 4.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 10.0 110.309 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.489 ' N ' ' HB2' ' A' ' 8' ' ' LEU . . . -52.42 161.82 2.27 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.531 1.144 . . . . 10.0 110.952 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.573 HG12 HG23 ' A' ' 7' ' ' VAL . 65.2 mt -142.75 100.84 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.46 0.741 . . . . 10.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.839 HG23 ' HB3' ' A' ' 6' ' ' ALA . 0.3 OUTLIER -108.28 161.3 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 10.0 109.256 -179.969 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.45 ' N ' ' CG1' ' A' ' 18' ' ' ILE . 0.5 OUTLIER -152.92 157.75 41.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 10.0 109.262 179.99 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.805 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 6.3 m-85 -129.85 107.04 9.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 10.0 111.025 179.932 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -96.79 148.92 22.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 10.0 110.323 -179.996 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.587 ' HG3' HG22 ' A' ' 29' ' ' VAL . 17.6 tt0 -146.56 82.99 1.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 10.0 110.291 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.8 mttt -76.53 55.94 1.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 10.0 109.309 -180.0 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -156.2 -44.36 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 10.0 110.277 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 75.06 1.76 3.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 10.0 109.983 180.0 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -167.91 31.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 10.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -141.07 -144.03 4.37 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.49 1.119 . . . . 10.0 111.002 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.464 ' HA ' ' O ' ' A' ' 101' ' ' ASP . 18.2 Cg_endo -75.03 157.92 42.38 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.492 1.785 . . . . 10.0 110.986 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.587 HG22 ' HG3' ' A' ' 22' ' ' GLN . 46.7 t -120.63 114.55 44.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 10.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.6 mttt -76.29 97.27 4.15 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 10.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.674 HG22 ' CD2' ' A' ' 20' ' ' PHE . 42.5 t -89.79 142.26 13.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 10.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -167.62 156.55 9.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 10.0 107.976 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.458 ' CA ' ' HA ' ' A' ' 18' ' ' ILE . . . -172.22 -173.98 39.29 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.517 1.136 . . . . 10.0 110.999 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.4 m -156.95 121.28 4.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 0.734 . . . . 10.0 110.026 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.905 HG21 HD13 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -83.98 165.8 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 10.0 109.345 179.978 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.509 ' N ' HG23 ' A' ' 35' ' ' ILE . 14.3 mtmt -155.96 109.72 2.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 10.0 109.265 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.454 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 140.07 -45.23 1.01 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.524 1.14 . . . . 10.0 110.969 179.949 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.905 HD13 HG21 ' A' ' 35' ' ' ILE . 1.7 mp -52.42 -171.66 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 0.746 . . . . 10.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.448 ' O ' ' NE2' ' A' ' 43' ' ' HIS . 17.6 p -133.32 137.93 46.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 10.0 110.401 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.599 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 0.4 OUTLIER -37.17 116.79 0.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 10.0 110.305 179.991 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.409 ' O ' ' HA ' ' A' ' 88' ' ' THR . . . 151.27 -176.82 29.58 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.443 1.089 . . . . 10.0 110.958 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.942 HD22 ' ND2' ' A' ' 86' ' ' ASN . 1.3 mt -75.5 138.68 41.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 0.78 . . . . 10.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.668 ' CD2' HD22 ' A' ' 38' ' ' LEU . 58.4 m-70 -133.63 170.63 15.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 10.0 109.614 -179.952 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -86.96 153.92 26.12 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.501 1.126 . . . . 10.0 111.005 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.564 ' CE1' HD12 ' A' ' 117' ' ' LEU . 10.6 t80 -142.67 78.9 1.63 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 0.764 . . . . 10.0 110.981 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.501 ' HE1' ' CD2' ' A' ' 120' ' ' HIS . 2.4 m170 -84.61 176.51 8.55 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 10.0 109.605 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.792 ' O ' HG12 ' A' ' 47' ' ' VAL . 24.4 t -139.35 61.31 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 10.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.443 ' C ' ' O ' ' A' ' 47' ' ' VAL . 0.0 OUTLIER -36.64 127.6 0.84 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 10.0 109.596 -179.986 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -130.26 128.25 41.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.113 . . . . 10.0 110.327 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.4 ' C ' ' N ' ' A' ' 52' ' ' ASP . 0.8 OUTLIER -149.98 135.36 18.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 10.0 110.334 -179.986 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -42.2 -28.71 0.2 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 10.0 110.292 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.596 ' HB3' HG22 ' A' ' 54' ' ' THR . 6.2 m-20 -140.24 135.59 32.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 10.0 109.363 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.485 HD22 HG13 ' A' ' 148' ' ' VAL . 3.1 m-20 -103.71 59.42 0.74 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 10.0 109.329 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.668 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 0.0 OUTLIER -134.06 115.77 14.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.12 . . . . 10.0 110.434 -179.975 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.668 ' HB2' ' O ' ' A' ' 54' ' ' THR . . . 165.57 -53.25 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 10.0 109.317 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.442 ' O ' ' CB ' ' A' ' 57' ' ' CYS . . . 136.22 -57.04 0.68 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.444 1.09 . . . . 10.0 111.03 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.442 ' CB ' ' O ' ' A' ' 56' ' ' GLY . 0.8 OUTLIER 164.52 85.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.287 -1.005 . . . . 10.0 108.287 -179.969 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 68.7 p -120.2 -145.27 0.36 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 10.0 110.377 179.993 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.567 ' HA ' ' CE1' ' A' ' 63' ' ' HIS . 80.9 p -161.47 85.17 0.64 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.13 . . . . 10.0 110.061 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -79.96 -61.87 1.86 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 10.0 109.322 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -172.61 -62.21 0.05 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.479 1.112 . . . . 10.0 110.996 -179.981 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 108.7 2.78 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.494 1.786 . . . . 10.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.567 ' CE1' ' HA ' ' A' ' 59' ' ' SER . 17.4 m170 -136.94 -51.67 0.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 10.0 109.583 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -118.26 -172.2 2.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 10.0 110.993 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -103.31 127.3 29.98 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 10.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 66.62 5.98 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.466 1.772 . . . . 10.0 111.003 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.732 ' O ' HD23 ' A' ' 67' ' ' LEU . 3.4 tt -141.58 -47.03 0.37 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 10.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.464 ' HB3' HG23 ' A' ' 81' ' ' VAL . 93.8 p -94.87 -127.66 0.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 10.0 110.039 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 17.4 ptt180 38.47 29.93 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 10.0 110.316 -179.974 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 68' ' ' SER . 8.5 tttm -129.74 81.08 2.0 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 10.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.485 ' CG ' ' O ' ' A' ' 71' ' ' HIS . 2.5 p80 39.06 39.13 0.36 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 10.0 109.6 179.931 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 66.7 -126.97 27.9 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.5 1.125 . . . . 10.0 110.983 -179.981 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 178.47 -58.61 0.09 OUTLIER Glycine 0 CA--C 1.529 0.962 0 N-CA-C 110.948 -0.861 . . . . 10.0 110.948 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -73.18 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.495 1.787 . . . . 10.0 111.015 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.91 34.35 5.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 10.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 46.86 82.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 10.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.415 ' O ' ' O ' ' A' ' 78' ' ' GLU . 0.4 OUTLIER -120.25 -10.85 9.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 10.0 110.33 179.98 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.415 ' O ' ' O ' ' A' ' 77' ' ' GLU . 13.2 tt0 60.68 138.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 10.0 110.26 179.961 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.455 ' NH2' ' O ' ' A' ' 137' ' ' THR . 2.0 mtt180 52.03 76.2 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 10.0 110.346 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 24.7 p80 -105.96 6.52 31.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 10.0 109.633 -179.97 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.464 HG23 ' HB3' ' A' ' 68' ' ' SER . 54.9 t -106.44 -84.7 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 10.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -59.34 -51.26 60.22 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.48 1.113 . . . . 10.0 110.999 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.494 ' O ' ' CB ' ' A' ' 84' ' ' LEU . 1.0 OUTLIER -71.86 -52.88 15.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 0.75 . . . . 10.0 109.288 -179.98 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.494 ' CB ' ' O ' ' A' ' 83' ' ' ASP . 0.5 OUTLIER 87.04 -4.24 0.65 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 10.0 109.285 179.964 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 150.64 -153.32 24.95 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.496 1.123 . . . . 10.0 110.996 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.942 ' ND2' HD22 ' A' ' 42' ' ' LEU . 31.5 p-10 -121.42 159.13 26.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 0.779 . . . . 10.0 109.259 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.811 ' O ' HD23 ' A' ' 42' ' ' LEU . 20.8 m -113.8 -167.08 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 10.0 109.334 179.929 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.409 ' HA ' ' O ' ' A' ' 41' ' ' GLY . 70.0 m -156.14 148.4 23.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 10.0 110.405 179.963 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.599 ' HB3' ' HA ' ' A' ' 40' ' ' GLU . . . -85.92 175.52 8.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 10.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.449 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 9.3 t70 -77.6 -97.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 10.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.449 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 23.2 mtmt -138.51 10.82 2.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 10.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -155.06 24.42 0.43 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 10.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.589 ' C ' ' HB1' ' A' ' 89' ' ' ALA . . . 93.92 -37.45 3.4 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.473 1.108 . . . . 10.0 110.99 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.479 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 73.8 t -41.02 101.19 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.517 0.775 . . . . 10.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.563 ' HB3' ' HB ' ' A' ' 35' ' ' ILE . . . -100.11 115.95 31.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 10.0 109.286 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.432 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 4.0 p-10 -107.69 149.87 27.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 10.0 109.266 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.508 HG12 ' N ' ' A' ' 98' ' ' SER . 94.6 t -124.87 165.67 21.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 10.0 109.314 179.947 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.508 ' N ' HG12 ' A' ' 97' ' ' VAL . 22.2 p -175.61 93.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 10.0 110.023 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 20.9 mt -134.29 153.72 36.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 10.0 109.318 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -132.55 90.16 2.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 10.0 110.341 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.464 ' O ' ' HA ' ' A' ' 28' ' ' PRO . 80.4 m-20 -95.61 159.89 14.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 10.0 109.279 -179.941 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -138.42 12.85 2.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 10.0 110.032 179.968 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 49.6 t -97.46 -41.97 11.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.13 . . . . 10.0 109.287 179.995 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.525 ' CG1' HG21 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -77.84 -176.96 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 10.0 109.285 -179.984 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.408 ' O ' ' N ' ' A' ' 112' ' ' ILE . 47.1 t -162.82 146.81 11.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 10.0 110.002 -179.972 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.639 HD13 ' CG1' ' A' ' 112' ' ' ILE . 2.9 mm? -61.76 -41.8 98.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 10.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.29 86.31 1.16 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 10.0 109.97 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -153.25 -116.07 0.62 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.504 1.127 . . . . 10.0 111.015 179.967 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -97.47 6.95 47.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 0.776 . . . . 10.0 109.272 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 64.0 m80 -132.39 -47.68 0.9 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 10.0 109.581 -179.998 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 59.5 p 51.9 87.62 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.453 1.096 . . . . 10.0 109.953 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.639 ' CG1' HD13 ' A' ' 106' ' ' LEU . 35.9 pt -88.72 -5.69 10.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 10.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 9.9 mm -56.34 113.54 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 10.0 109.265 -179.968 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 104.83 41.86 1.91 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.468 1.105 . . . . 10.0 111.032 -179.996 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.845 ' HB2' HD13 ' A' ' 149' ' ' ILE . 5.1 mtm180 -83.9 69.17 10.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 0.783 . . . . 10.0 110.304 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 116' ' ' THR . . . . . 1.051 ' OG1' HG22 ' A' ' 148' ' ' VAL . 87.6 m -62.66 80.47 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 10.0 110.422 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.674 ' CD2' HD11 ' A' ' 8' ' ' LEU . 0.1 OUTLIER -73.89 117.44 15.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 10.0 109.285 179.978 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 1.009 HG13 ' O ' ' A' ' 145' ' ' ALA . 1.5 t -114.92 122.66 69.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 10.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 1.012 HG23 HD12 ' A' ' 144' ' ' LEU . 30.1 m -82.52 149.16 4.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 10.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.506 ' CD2' ' O ' ' A' ' 140' ' ' ALA . 0.2 OUTLIER -84.82 151.98 23.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 10.0 109.622 -179.973 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.56 -14.27 12.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 10.0 110.298 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.543 ' HB3' ' HB2' ' A' ' 140' ' ' ALA . 1.8 tmtt? -149.52 -179.19 6.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.16 . . . . 10.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -69.25 166.84 17.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 10.0 109.259 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.433 ' OD1' ' N ' ' A' ' 124' ' ' ASP . 0.0 OUTLIER -45.02 -90.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 10.0 109.285 179.991 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 125' ' ' ASP . . . . . 0.433 ' OD1' ' CB ' ' A' ' 134' ' ' SER . 8.1 t70 -175.34 -39.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 10.0 109.271 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 3.7 mt 50.09 22.65 0.96 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 10.0 109.246 179.961 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 84.92 105.88 0.64 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.52 1.137 . . . . 10.0 110.991 -179.991 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 1.4 mttm -92.92 -84.37 0.29 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 0.785 . . . . 10.0 109.317 179.962 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 169.05 -34.61 0.19 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.526 1.141 . . . . 10.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -61.94 -166.56 0.49 Allowed Glycine 0 CA--C 1.529 0.967 0 N-CA-C 110.961 -0.855 . . . . 10.0 110.961 -179.974 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 19.7 m-80 -152.37 138.04 17.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 0.735 . . . . 10.0 109.303 -179.996 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 68.8 13.7 8.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 10.0 110.333 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.05 -64.78 0.94 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 10.0 110.312 179.964 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 134' ' ' SER . . . . . 0.56 ' HA ' ' CA ' ' A' ' 138' ' ' GLY . 0.0 OUTLIER -91.88 -18.0 24.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 10.0 109.984 -179.984 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 75.0 p -82.78 7.95 13.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.414 1.071 . . . . 10.0 110.346 -179.947 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.698 ' HG2' HG23 ' A' ' 137' ' ' THR . 1.3 ttpt -127.8 -53.72 1.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 10.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 137' ' ' THR . . . . . 0.698 HG23 ' HG2' ' A' ' 136' ' ' LYS . 27.0 p -114.37 -22.47 9.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 10.0 110.395 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 138' ' ' GLY . . . . . 0.56 ' CA ' ' HA ' ' A' ' 134' ' ' SER . . . 96.55 15.26 41.11 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.541 1.151 . . . . 10.0 110.978 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 139' ' ' ASN . . . . . 0.483 ' CB ' ' O ' ' A' ' 138' ' ' GLY . 2.5 t-20 81.59 -3.7 1.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 0.744 . . . . 10.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.543 ' HB2' ' HB3' ' A' ' 122' ' ' LYS . . . -123.87 79.92 1.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 10.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 141' ' ' GLY . . . . . 0.405 ' O ' ' CB ' ' A' ' 142' ' ' SER . . . -117.65 111.88 2.32 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.544 1.153 . . . . 10.0 111.014 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 142' ' ' SER . . . . . 0.405 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 0.4 OUTLIER 165.43 97.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 0.787 . . . . 10.0 110.041 -179.982 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 143' ' ' ARG . . . . . 0.547 ' CG ' HG11 ' A' ' 118' ' ' VAL . 0.0 OUTLIER -46.59 161.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 10.0 110.295 -179.981 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 1.012 HD12 HG23 ' A' ' 119' ' ' VAL . 94.6 mt -123.29 -76.58 0.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 10.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 145' ' ' ALA . . . . . 1.009 ' O ' HG13 ' A' ' 118' ' ' VAL . . . -118.2 176.22 5.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 10.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 146' ' ' CYS . . . . . 0.703 ' O ' HG23 ' A' ' 148' ' ' VAL . 0.5 OUTLIER -149.22 70.4 1.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 10.0 108.316 179.983 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 147' ' ' GLY . . . . . 0.553 ' H ' HD13 ' A' ' 8' ' ' LEU . . . -37.98 -58.68 1.52 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.539 1.15 . . . . 10.0 110.979 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 1.051 HG22 ' OG1' ' A' ' 116' ' ' THR . 85.9 t 68.15 115.03 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 0.78 . . . . 10.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 149' ' ' ILE . . . . . 1.013 HG23 ' HB1' ' A' ' 4' ' ' ALA . 1.7 mp -69.57 135.55 28.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 10.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 150' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 151' ' ' ILE . . . -144.86 110.76 0.57 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.533 1.146 . . . . 10.0 110.987 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 151' ' ' ILE . . . . . 0.672 ' CD1' HG23 ' A' ' 2' ' ' THR . 16.2 mm -39.38 145.46 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.498 0.764 . . . . 10.0 109.277 179.959 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -143.13 168.26 20.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 10.0 109.287 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 10.0 110.29 -179.982 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.506 ' N ' ' O ' ' A' ' 22' ' ' GLN . . . . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.31 -0.626 . . . . 10.0 109.31 . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.536 HG22 ' H ' ' A' ' 3' ' ' LYS . 19.7 m -134.03 175.43 9.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 10.0 110.425 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.536 ' H ' HG22 ' A' ' 2' ' ' THR . 0.1 OUTLIER -97.53 90.99 5.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 10.0 109.268 -179.966 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.601 ' HB1' HG22 ' A' ' 149' ' ' ILE . . . -84.46 155.16 22.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 10.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.77 HG13 HD22 ' A' ' 19' ' ' ASN . 0.8 OUTLIER -135.52 142.73 38.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 10.0 109.279 179.999 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.753 ' HB1' ' O ' ' A' ' 147' ' ' GLY . . . -138.73 92.79 2.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 10.0 109.327 -179.943 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.565 ' O ' HG13 ' A' ' 7' ' ' VAL . 12.4 p -83.45 97.57 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 10.0 109.28 -179.952 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.521 HD22 ' HA3' ' A' ' 147' ' ' GLY . 1.3 mm? -42.77 139.85 1.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 10.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.4 tmtt? -173.34 120.88 0.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.436 1.085 . . . . 10.0 109.321 -179.978 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -179.88 -85.35 0.06 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.501 1.126 . . . . 10.0 111.019 -179.977 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -40.02 -47.34 2.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 0.767 . . . . 10.0 109.268 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 128.27 -57.03 0.72 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.516 1.135 . . . . 10.0 111.007 -179.946 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -32.24 5.49 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.488 1.783 . . . . 10.0 111.016 -179.989 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.654 ' CG2' HD12 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -81.99 113.38 21.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 10.0 109.313 179.98 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.8 mp0 -132.9 56.44 1.85 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 10.0 110.316 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.493 ' CA ' ' HA ' ' A' ' 35' ' ' ILE . . . -65.3 167.0 32.87 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.5 1.125 . . . . 10.0 111.026 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 24.6 mt -139.64 108.89 3.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 0.769 . . . . 10.0 109.291 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.844 HD13 ' C ' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -132.1 134.47 59.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 10.0 109.303 179.983 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.77 HD22 HG13 ' A' ' 5' ' ' VAL . 0.0 OUTLIER -125.94 163.32 23.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 10.0 109.299 179.993 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.957 ' CE1' HG13 ' A' ' 31' ' ' VAL . 2.1 m-85 -131.53 104.0 6.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 10.0 111.039 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.412 ' HA ' ' O ' ' A' ' 2' ' ' THR . 50.1 tt0 -114.72 118.59 34.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 10.0 110.307 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.767 ' CG ' HG22 ' A' ' 29' ' ' VAL . 1.1 tt0 -140.5 58.34 1.57 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 10.0 110.28 -179.968 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.5 mtmt -77.47 71.17 3.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 10.0 109.322 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.471 ' O ' ' CB ' ' A' ' 25' ' ' SER . 0.0 OUTLIER -134.65 -47.78 0.75 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 10.0 110.323 -179.972 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.471 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 2.3 m 83.28 -8.32 1.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 10.0 110.004 179.973 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 39.1 p-10 -167.23 31.21 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 10.0 109.317 179.94 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -132.11 -172.62 13.1 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.511 1.132 . . . . 10.0 111.017 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.404 ' HA ' ' HA ' ' A' ' 102' ' ' SER . 18.3 Cg_endo -75.03 154.98 42.76 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.491 1.785 . . . . 10.0 110.995 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.767 HG22 ' CG ' ' A' ' 22' ' ' GLN . 78.1 t -97.56 117.74 42.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 10.0 109.257 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.6 mttt -74.08 92.6 2.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.437 1.086 . . . . 10.0 109.293 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.957 HG13 ' CE1' ' A' ' 20' ' ' PHE . 87.8 t -98.23 112.9 31.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.145 . . . . 10.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.408 ' HA ' ' O ' ' A' ' 97' ' ' VAL . 0.6 OUTLIER -141.21 155.72 46.01 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.977 -1.12 . . . . 10.0 107.977 179.992 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.411 ' O ' ' HA ' ' A' ' 96' ' ' ASP . . . -177.17 179.64 47.92 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.51 1.131 . . . . 10.0 111.03 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 9.3 m -157.17 118.74 3.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 0.742 . . . . 10.0 110.031 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.771 HG21 HD13 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -84.23 162.94 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 10.0 109.287 -179.961 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.482 ' CG ' ' O ' ' A' ' 35' ' ' ILE . 14.0 mttt -155.98 102.37 2.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 10.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.459 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 141.29 -38.91 1.48 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.455 1.097 . . . . 10.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.972 HD11 HG21 ' A' ' 119' ' ' VAL . 0.5 OUTLIER -53.55 -167.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 0.745 . . . . 10.0 109.254 -179.95 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.401 ' O ' ' CE1' ' A' ' 43' ' ' HIS . 50.1 p -130.08 146.46 51.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 10.0 110.387 -179.948 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.793 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 3.3 pt-20 -54.89 111.09 0.76 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 10.0 110.277 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 154.64 162.45 11.21 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.504 1.127 . . . . 10.0 111.001 180.0 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.674 HD23 ' OG1' ' A' ' 88' ' ' THR . 6.7 mt -56.6 142.52 39.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 0.764 . . . . 10.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.766 ' CD2' HD22 ' A' ' 38' ' ' LEU . 40.7 m-70 -123.08 174.8 7.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 10.0 109.66 179.95 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -85.14 -179.37 50.9 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.441 1.088 . . . . 10.0 110.992 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.591 ' CE1' ' CG ' ' A' ' 86' ' ' ASN . 22.8 m-85 -82.98 173.53 11.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 0.776 . . . . 10.0 111.005 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.484 ' CB ' ' HG ' ' A' ' 117' ' ' LEU . 0.0 OUTLIER -104.92 167.64 9.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 10.0 109.589 -179.999 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 42.5 t 62.89 143.91 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 10.0 109.318 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.526 ' CG ' ' O ' ' A' ' 48' ' ' HIS . 21.5 p-80 -175.43 59.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 10.0 109.555 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 48' ' ' HIS . 3.5 pt-20 33.04 61.4 0.4 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 10.0 110.267 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.412 ' HG3' ' N ' ' A' ' 51' ' ' GLU . 20.6 tp10 -38.78 158.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 10.0 110.288 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.412 ' N ' ' HG3' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -127.27 -77.61 0.58 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 10.0 110.306 179.99 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -170.01 100.49 0.29 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 10.0 109.286 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 24.8 m-20 -178.81 44.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 10.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.618 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 1.3 t -147.22 -56.55 0.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 10.0 110.424 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.618 ' HB3' ' O ' ' A' ' 54' ' ' THR . . . 78.0 -56.34 0.49 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 10.0 109.269 179.943 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -78.21 57.0 4.04 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.498 1.124 . . . . 10.0 111.006 -179.966 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -170.21 149.5 3.49 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.355 -0.98 . . . . 10.0 108.355 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.447 ' O ' ' CB ' ' A' ' 59' ' ' SER . 1.8 p -92.83 -70.79 0.68 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.546 1.154 . . . . 10.0 110.388 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.447 ' CB ' ' O ' ' A' ' 58' ' ' THR . 0.7 OUTLIER 82.38 95.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 10.0 109.994 179.997 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.445 ' HB3' ' HA3' ' A' ' 114' ' ' GLY . . . -60.08 -51.55 69.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 10.0 109.293 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.432 ' O ' ' CE2' ' A' ' 64' ' ' PHE . . . -141.34 90.88 0.18 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.479 1.112 . . . . 10.0 110.983 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 56.65 4.32 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.518 1.799 . . . . 10.0 110.995 -179.966 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 69.0 m80 -155.11 90.39 1.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 10.0 109.543 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.432 ' CE2' ' O ' ' A' ' 61' ' ' GLY . 88.5 m-85 -121.95 64.3 0.92 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 10.0 110.982 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.579 ' OD1' HG23 ' A' ' 81' ' ' VAL . 2.8 m120 -145.76 61.02 7.09 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 10.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.481 ' HD3' ' N ' ' A' ' 65' ' ' ASN . 18.1 Cg_endo -74.96 -44.83 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.46 1.768 . . . . 10.0 110.956 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.497 ' O ' ' O ' ' A' ' 68' ' ' SER . 4.6 mt -116.48 -9.73 11.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 10.0 109.284 -179.937 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.497 ' O ' ' O ' ' A' ' 67' ' ' LEU . 26.1 m -33.3 -94.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 10.0 109.992 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.423 ' CB ' ' O ' ' A' ' 68' ' ' SER . 7.5 mmt180 78.11 -18.63 0.49 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 10.0 110.332 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.461 ' H ' ' C ' ' A' ' 68' ' ' SER . 0.0 OUTLIER 65.54 159.61 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 10.0 109.329 -179.988 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.439 ' N ' ' O ' ' A' ' 135' ' ' THR . 0.1 OUTLIER 68.04 148.92 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 10.0 109.625 179.998 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 90.04 -145.09 17.99 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.518 1.136 . . . . 10.0 111.037 -179.999 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -79.24 141.01 23.56 Favored Glycine 0 CA--C 1.53 1.031 0 N-CA-C 110.979 -0.848 . . . . 10.0 110.979 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.424 ' HA ' ' CB ' ' A' ' 80' ' ' HIS . 18.2 Cg_endo -75.02 -9.03 20.57 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.52 1.8 . . . . 10.0 110.99 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.1 tptm -174.76 35.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 10.0 109.291 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -134.53 -55.69 0.84 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 10.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.495 ' O ' ' CG ' ' A' ' 78' ' ' GLU . 0.3 OUTLIER -106.29 11.64 30.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 10.0 110.281 179.994 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.495 ' CG ' ' O ' ' A' ' 77' ' ' GLU . 2.2 mt-10 172.72 -169.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 10.0 110.288 179.942 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.439 ' O ' ' C ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -106.7 -13.47 15.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 10.0 110.293 -179.986 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.501 ' O ' ' C ' ' A' ' 81' ' ' VAL . 34.2 t-80 36.0 40.22 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 10.0 109.65 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.667 ' O ' HG13 ' A' ' 81' ' ' VAL . 11.3 p 33.03 88.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 10.0 109.33 -179.959 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 83' ' ' ASP . . . 176.82 -54.68 0.11 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.513 1.133 . . . . 10.0 110.991 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.418 ' C ' ' O ' ' A' ' 82' ' ' GLY . 2.2 p-10 38.61 36.7 0.15 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 0.786 . . . . 10.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.48 ' O ' ' CD1' ' A' ' 45' ' ' PHE . 10.0 tp -165.86 115.26 0.99 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.152 . . . . 10.0 109.235 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.448 ' O ' ' O ' ' A' ' 84' ' ' LEU . . . -41.15 166.69 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.474 1.109 . . . . 10.0 111.01 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.591 ' CG ' ' CE1' ' A' ' 45' ' ' PHE . 65.8 m-20 -83.08 153.6 24.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 0.757 . . . . 10.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 7.7 m -106.34 160.86 5.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 10.0 109.258 -179.966 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.674 ' OG1' HD23 ' A' ' 42' ' ' LEU . 52.3 m -134.27 147.04 50.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 10.0 110.434 179.945 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.793 ' HB3' ' HA ' ' A' ' 40' ' ' GLU . . . -84.28 158.13 21.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 10.0 109.28 -179.959 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.423 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 5.3 t70 -72.16 -96.37 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 10.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.508 ' CG ' ' O ' ' A' ' 91' ' ' LYS . 4.6 tttt -139.62 12.72 2.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 10.0 109.342 180.0 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -148.98 20.23 0.99 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 10.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.565 ' CA ' ' HB1' ' A' ' 89' ' ' ALA . . . 88.62 -27.84 6.85 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.539 1.149 . . . . 10.0 110.969 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.639 HG13 ' O ' ' A' ' 35' ' ' ILE . 37.0 t -55.21 109.25 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 0.768 . . . . 10.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.413 ' HB3' ' HB ' ' A' ' 35' ' ' ILE . . . -107.78 117.47 34.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 10.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.411 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 1.2 p-10 -102.05 155.75 17.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 10.0 109.265 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.408 ' O ' ' HA ' ' A' ' 32' ' ' TRP . 49.3 t -135.52 154.84 35.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 10.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 16.0 p -176.59 93.14 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 10.0 110.027 -179.982 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.628 HG22 ' H ' ' A' ' 100' ' ' GLU . 3.5 mt -140.47 175.35 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 10.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.628 ' H ' HG22 ' A' ' 99' ' ' ILE . 1.3 mt-10 -129.67 100.2 5.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 10.0 110.319 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -97.88 109.8 22.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 10.0 109.291 -179.982 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.404 ' HA ' ' HA ' ' A' ' 28' ' ' PRO . 95.5 p -104.79 56.05 0.7 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 10.0 109.985 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 51.5 t -132.33 -51.39 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 10.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.855 ' CG1' HG21 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -96.69 176.62 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.112 . . . . 10.0 109.313 179.975 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.658 ' C ' HD23 ' A' ' 106' ' ' LEU . 53.9 p -170.18 174.98 5.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 10.0 109.991 -179.955 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.752 ' N ' HD23 ' A' ' 106' ' ' LEU . 0.1 OUTLIER -101.01 40.55 1.27 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 10.0 109.283 -179.996 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -87.53 -168.53 2.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 10.0 109.995 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -94.25 19.29 54.18 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.492 1.12 . . . . 10.0 110.977 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -136.74 -59.91 0.71 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 0.783 . . . . 10.0 109.314 179.961 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.465 ' O ' HG23 ' A' ' 112' ' ' ILE . 33.6 m170 -90.09 15.52 10.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.14 . . . . 10.0 109.571 180.0 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -43.76 118.23 1.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 10.0 109.989 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.855 HG21 ' CG1' ' A' ' 104' ' ' ILE . 1.6 pp -101.31 -12.68 8.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 10.0 109.36 179.943 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.773 HD11 HD11 ' A' ' 151' ' ' ILE . 20.3 mt -48.58 131.95 6.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 10.0 109.269 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.445 ' HA3' ' HB3' ' A' ' 60' ' ' ALA . . . 110.41 8.37 25.11 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.488 1.118 . . . . 10.0 110.983 179.968 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 85.4 mtt180 -84.67 90.66 7.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 0.749 . . . . 10.0 110.314 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.578 HG23 ' HB2' ' A' ' 146' ' ' CYS . 55.3 m -61.69 100.25 0.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 10.0 110.422 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.529 ' CD2' HG21 ' A' ' 18' ' ' ILE . 0.5 OUTLIER -74.57 110.87 9.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 10.0 109.289 -179.992 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.702 HG23 ' O ' ' A' ' 144' ' ' LEU . 0.2 OUTLIER -137.32 107.7 5.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 10.0 109.289 179.988 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.972 HG21 HD11 ' A' ' 38' ' ' LEU . 33.3 m -72.25 172.62 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 10.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -111.73 143.14 43.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 10.0 109.608 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.43 -29.85 11.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 10.0 110.28 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.692 ' HB2' ' HB1' ' A' ' 140' ' ' ALA . 2.5 mttt -141.03 -172.01 3.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 10.0 109.294 -179.938 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.555 ' HB2' ' C ' ' A' ' 42' ' ' LEU . . . -99.7 -173.58 2.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 10.0 109.343 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.404 ' OD1' ' CA ' ' A' ' 126' ' ' LEU . 4.1 p30 -111.79 -5.13 14.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.157 . . . . 10.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 61.82 30.75 18.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 10.0 109.295 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.404 ' CA ' ' OD1' ' A' ' 124' ' ' ASP . 19.1 mt 52.78 21.61 2.0 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.502 1.126 . . . . 10.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 108.34 121.98 4.64 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.479 1.112 . . . . 10.0 111.021 -179.945 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 1.2 mttm -74.76 -48.23 26.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 0.797 . . . . 10.0 109.352 179.946 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 152.49 -45.28 0.6 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.475 1.109 . . . . 10.0 111.031 179.966 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -84.55 137.54 15.88 Favored Glycine 0 CA--C 1.529 0.953 0 N-CA-C 110.991 -0.844 . . . . 10.0 110.991 -179.982 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 131' ' ' ASN . . . . . 0.413 ' O ' ' CB ' ' A' ' 132' ' ' GLU . 0.5 OUTLIER -90.15 89.66 7.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 0.747 . . . . 10.0 109.318 -179.999 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.413 ' CB ' ' O ' ' A' ' 131' ' ' ASN . 0.8 OUTLIER 166.94 41.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 10.0 110.247 -179.978 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -177.84 -65.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 10.0 110.279 179.928 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 72.1 p -85.84 -22.43 27.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 10.0 110.036 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 135' ' ' THR . . . . . 0.439 ' O ' ' N ' ' A' ' 71' ' ' HIS . 2.4 p -77.21 -14.52 59.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 10.0 110.375 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 18.9 mtmt -109.33 -32.98 6.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 10.0 109.317 -179.982 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 137' ' ' THR . . . . . 0.444 ' OG1' ' N ' ' A' ' 138' ' ' GLY . 69.4 p -138.89 -94.32 0.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 10.0 110.381 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 138' ' ' GLY . . . . . 0.444 ' N ' ' OG1' ' A' ' 137' ' ' THR . . . -177.09 34.93 0.08 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.512 1.132 . . . . 10.0 111.001 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 139' ' ' ASN . . . . . 0.405 ' O ' ' HB2' ' A' ' 140' ' ' ALA . 44.9 t30 44.32 26.91 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 0.767 . . . . 10.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.692 ' HB1' ' HB2' ' A' ' 122' ' ' LYS . . . -179.47 40.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 10.0 109.273 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -93.81 89.1 1.26 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.522 1.139 . . . . 10.0 110.984 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 142' ' ' SER . . . . . 0.624 ' HB3' HD12 ' A' ' 144' ' ' LEU . 5.2 t -89.0 -9.68 50.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 0.758 . . . . 10.0 109.976 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 143' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 142' ' ' SER . 0.0 OUTLIER 37.02 88.53 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 10.0 110.319 -179.999 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.799 ' N ' HD13 ' A' ' 144' ' ' LEU . 0.0 OUTLIER -117.57 161.56 19.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 10.0 109.316 179.995 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 145' ' ' ALA . . . . . 0.422 ' HB2' ' CG1' ' A' ' 14' ' ' VAL . . . 59.96 173.16 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 10.0 109.324 -179.939 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 146' ' ' CYS . . . . . 0.578 ' HB2' HG23 ' A' ' 116' ' ' THR . 26.6 p -156.23 67.85 0.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 10.0 108.285 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 147' ' ' GLY . . . . . 0.753 ' O ' ' HB1' ' A' ' 6' ' ' ALA . . . -67.56 61.94 0.29 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.498 1.124 . . . . 10.0 110.999 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.421 ' N ' ' O ' ' A' ' 146' ' ' CYS . 2.4 t -59.35 132.36 24.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.52 0.776 . . . . 10.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 149' ' ' ILE . . . . . 0.601 HG22 ' HB1' ' A' ' 4' ' ' ALA . 11.7 mm -75.45 106.34 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 10.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -119.39 137.59 12.7 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.536 1.147 . . . . 10.0 111.002 -179.962 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 151' ' ' ILE . . . . . 0.773 HD11 HD11 ' A' ' 113' ' ' ILE . 27.0 mm -58.56 148.54 6.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 0.771 . . . . 10.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 152' ' ' ALA . . . . . 0.487 ' HB3' ' CG2' ' A' ' 5' ' ' VAL . . . -147.32 168.94 20.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 10.0 109.332 -179.95 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 10.0 110.317 -179.992 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.32 -0.622 . . . . 10.0 109.32 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 83.9 m -155.02 86.31 1.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 10.0 110.404 179.959 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.439 ' HA ' ' O ' ' A' ' 20' ' ' PHE . 32.4 tttt -107.62 134.7 50.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 10.0 109.261 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.928 ' HB3' ' HB2' ' A' ' 20' ' ' PHE . . . -107.84 163.3 13.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 10.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.521 HG23 ' CB ' ' A' ' 152' ' ' ALA . 2.4 t -135.07 153.39 34.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 10.0 109.263 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.658 ' HB1' ' C ' ' A' ' 147' ' ' GLY . . . -155.66 89.0 1.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 10.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.472 ' O ' HG13 ' A' ' 7' ' ' VAL . 8.9 p -83.39 107.31 14.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 10.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.516 HD22 ' HA3' ' A' ' 147' ' ' GLY . 0.2 OUTLIER -54.83 137.64 44.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 10.0 109.313 179.988 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.3 tptm -173.14 128.87 0.46 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 10.0 109.32 179.955 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 179.08 -81.62 0.06 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.446 1.091 . . . . 10.0 111.021 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -44.38 -47.94 9.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 0.765 . . . . 10.0 109.325 179.967 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 134.32 -57.33 0.7 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.514 1.134 . . . . 10.0 111.016 -179.966 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -22.23 15.1 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.509 1.794 . . . . 10.0 110.999 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.5 ' CG1' ' O ' ' A' ' 14' ' ' VAL . 0.4 OUTLIER -88.32 116.04 29.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 10.0 109.326 -179.996 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.78 45.69 2.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 10.0 110.309 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.464 ' CA ' ' HA ' ' A' ' 35' ' ' ILE . . . -53.91 166.55 1.98 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.452 1.095 . . . . 10.0 111.017 179.959 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 31.7 mt -139.54 106.22 2.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.484 0.755 . . . . 10.0 109.346 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.778 HD13 ' C ' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -128.69 130.76 68.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 10.0 109.279 -179.972 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.562 ' N ' HD13 ' A' ' 18' ' ' ILE . 1.1 m-20 -123.59 170.9 9.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 10.0 109.274 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.928 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 21.5 m-85 -124.81 123.61 40.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.088 . . . . 10.0 110.953 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.401 ' O ' ' N ' ' A' ' 30' ' ' LYS . 1.3 tt0 -111.02 132.13 54.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 10.0 110.305 179.961 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.835 ' HG3' HG22 ' A' ' 29' ' ' VAL . 2.6 tt0 -155.21 78.73 1.03 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 10.0 110.323 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 54.4 mttt -81.08 64.94 6.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 10.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.491 ' O ' ' CB ' ' A' ' 25' ' ' SER . 0.3 OUTLIER -154.63 -48.15 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 10.0 110.288 -180.0 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 1.9 t 85.15 -10.18 0.81 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 10.0 110.021 -179.978 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 18.1 p-10 -157.37 26.17 0.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 10.0 109.26 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -126.17 -152.79 8.21 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.496 1.123 . . . . 10.0 110.997 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.464 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 18.2 Cg_endo -74.98 163.07 36.1 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.541 1.811 . . . . 10.0 110.997 -179.958 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.835 HG22 ' HG3' ' A' ' 22' ' ' GLN . 41.6 t -125.69 108.81 20.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 10.0 109.349 179.966 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.401 ' N ' ' O ' ' A' ' 21' ' ' GLU . 27.8 mttt -75.44 93.11 2.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 10.0 109.295 -179.95 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.575 HG22 ' CD2' ' A' ' 20' ' ' PHE . 16.6 t -90.01 128.82 41.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 10.0 109.326 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 8.0 p90 -157.02 154.67 29.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 10.0 107.981 179.964 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.413 ' O ' ' HA ' ' A' ' 96' ' ' ASP . . . -169.3 -169.62 32.85 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.498 1.124 . . . . 10.0 110.976 -179.972 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 43.7 m -157.48 123.02 4.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 0.782 . . . . 10.0 109.979 -179.971 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.71 ' CD1' ' CE2' ' A' ' 45' ' ' PHE . 0.1 OUTLIER -84.84 164.4 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 10.0 109.329 179.974 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.491 ' CG ' ' O ' ' A' ' 35' ' ' ILE . 22.0 mtmt -156.55 112.91 3.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 10.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.433 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 128.45 -37.0 2.34 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.477 1.111 . . . . 10.0 110.962 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.651 HD13 HG21 ' A' ' 35' ' ' ILE . 0.2 OUTLIER -53.85 -169.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 0.748 . . . . 10.0 109.271 -179.944 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.429 ' OG1' ' NE2' ' A' ' 43' ' ' HIS . 23.8 p -131.21 141.24 50.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.112 . . . . 10.0 110.352 -179.947 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.804 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 0.2 OUTLIER -44.38 123.8 3.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 10.0 110.301 179.991 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 127.54 162.21 11.04 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.512 1.133 . . . . 10.0 111.02 179.992 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.901 ' O ' ' HB2' ' A' ' 123' ' ' ALA . 1.0 OUTLIER -47.14 145.32 2.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 0.768 . . . . 10.0 109.303 -179.993 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.58 ' CD2' HD23 ' A' ' 38' ' ' LEU . 14.1 m-70 -155.16 159.34 40.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 10.0 109.604 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.81 151.42 25.44 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.496 1.122 . . . . 10.0 110.956 179.99 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.71 ' CE2' ' CD1' ' A' ' 35' ' ' ILE . 0.1 OUTLIER 175.9 79.29 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 0.764 . . . . 10.0 110.992 179.994 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.7 ' HA ' HD13 ' A' ' 117' ' ' LEU . 3.8 p80 -172.46 175.16 3.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 10.0 109.56 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.731 HG11 ' HB3' ' A' ' 63' ' ' HIS . 41.7 t -68.18 84.49 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.125 . . . . 10.0 109.309 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -132.1 94.32 3.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.54 1.15 . . . . 10.0 109.619 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.466 ' HG3' HG21 ' A' ' 116' ' ' THR . 0.1 OUTLIER -133.49 82.01 1.96 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 10.0 110.308 -179.996 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -92.71 62.19 3.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 10.0 110.346 179.987 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 65.86 -97.85 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 10.0 110.343 -179.947 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.523 ' OD1' HG22 ' A' ' 54' ' ' THR . 1.3 t0 72.7 175.09 0.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 10.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -128.56 23.84 5.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 10.0 109.322 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.571 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 0.9 OUTLIER -130.45 116.65 18.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 10.0 110.433 -179.993 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.571 ' HB2' ' O ' ' A' ' 54' ' ' THR . . . 172.03 115.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 10.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -108.79 56.23 0.48 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.434 1.084 . . . . 10.0 111.016 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 1.334 ' SG ' ' SG ' ' A' ' 146' ' ' CYS . 0.0 OUTLIER -126.65 -157.44 0.8 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.299 -1.0 . . . . 10.0 108.299 179.979 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 71.5 p -89.72 -141.54 0.15 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 10.0 110.402 179.985 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -143.01 71.67 1.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 10.0 109.995 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.463 ' CB ' HG11 ' A' ' 148' ' ' VAL . . . -76.05 -65.03 0.96 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 10.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 137.24 121.59 2.04 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.467 1.104 . . . . 10.0 111.013 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 155.91 43.04 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.498 1.788 . . . . 10.0 111.036 179.962 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.731 ' HB3' HG11 ' A' ' 47' ' ' VAL . 8.1 t-160 -84.07 -72.45 0.46 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 10.0 109.624 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.565 ' CG ' ' O ' ' A' ' 63' ' ' HIS . 0.2 OUTLIER 159.16 -167.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 10.0 111.009 179.961 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -94.64 161.18 29.7 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 10.0 109.274 -179.943 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.586 ' HA ' ' CG1' ' A' ' 81' ' ' VAL . 18.2 Cg_endo -74.99 -28.7 8.95 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.503 1.791 . . . . 10.0 110.961 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.637 ' O ' HD13 ' A' ' 67' ' ' LEU . 0.8 OUTLIER 81.02 -8.89 1.38 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 10.0 109.31 -179.994 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.403 ' O ' ' HA ' ' A' ' 78' ' ' GLU . 4.5 m -107.58 -18.54 13.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 10.0 110.012 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.479 ' HB3' ' CZ ' ' A' ' 69' ' ' ARG . 5.4 mmm180 -70.34 58.55 0.18 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.559 1.162 . . . . 10.0 110.298 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.05 75.02 8.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 10.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.532 ' CG ' ' O ' ' A' ' 71' ' ' HIS . 1.8 t60 57.25 72.56 0.51 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 10.0 109.605 -179.976 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 158.93 -135.96 4.46 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.49 1.118 . . . . 10.0 111.017 -179.963 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.442 ' O ' ' O ' ' A' ' 78' ' ' GLU . . . 159.05 -107.75 0.33 Allowed Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.027 -0.829 . . . . 10.0 111.027 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.405 ' HD3' ' HA3' ' A' ' 73' ' ' GLY . 18.3 Cg_endo -75.05 51.34 2.78 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.467 1.772 . . . . 10.0 110.999 179.971 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 26.2 mmmt -111.53 -55.73 2.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 10.0 109.267 -179.987 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -130.44 -82.63 0.54 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 10.0 109.293 -179.964 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -125.87 1.54 7.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 10.0 110.282 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.442 ' O ' ' O ' ' A' ' 73' ' ' GLY . 1.3 mp0 -64.66 140.0 58.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 10.0 110.278 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.409 ' CZ ' ' O ' ' A' ' 79' ' ' ARG . 4.5 tmm_? 63.72 99.95 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 10.0 110.231 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 177.4 36.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 10.0 109.622 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.586 ' CG1' ' HA ' ' A' ' 66' ' ' PRO . 2.6 t -133.63 -44.83 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 10.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -146.58 -44.51 0.04 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.522 1.139 . . . . 10.0 111.002 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.453 ' OD1' ' N ' ' A' ' 85' ' ' GLY . 13.4 t0 -63.34 134.95 56.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 0.765 . . . . 10.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.429 ' O ' ' O ' ' A' ' 85' ' ' GLY . 0.2 OUTLIER -110.75 62.77 0.61 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 10.0 109.312 -179.998 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.453 ' N ' ' OD1' ' A' ' 83' ' ' ASP . . . 45.39 -174.06 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.503 1.127 . . . . 10.0 111.009 -179.948 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.413 ' OD1' ' CD2' ' A' ' 46' ' ' HIS . 6.3 m-20 -111.21 175.33 5.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 0.788 . . . . 10.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.6 HG12 ' H ' ' A' ' 88' ' ' THR . 2.7 t -127.31 174.04 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 10.0 109.245 -179.957 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.6 ' H ' HG12 ' A' ' 87' ' ' VAL . 90.3 m -123.9 149.58 45.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 10.0 110.394 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.804 ' HB3' ' HA ' ' A' ' 40' ' ' GLU . . . -84.88 167.6 15.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 10.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.439 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 12.6 t0 -80.29 -97.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 10.0 109.335 179.961 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.439 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 41.7 pttt -136.98 10.08 3.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 10.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -150.0 22.25 0.87 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 10.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.546 ' CA ' ' HB1' ' A' ' 89' ' ' ALA . . . 89.43 -30.78 5.47 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.538 1.148 . . . . 10.0 110.983 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.47 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 18.3 t -45.48 109.1 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.488 0.757 . . . . 10.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.578 ' HB3' ' HB ' ' A' ' 35' ' ' ILE . . . -111.04 116.61 31.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 10.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.413 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 3.4 p-10 -107.38 149.63 27.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 10.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 60.3 t -127.12 158.84 37.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 10.0 109.292 179.956 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 97.8 p -168.89 90.81 0.24 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 10.0 109.986 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 13.3 mt -126.39 147.54 31.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 10.0 109.343 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -129.77 89.29 2.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.118 . . . . 10.0 110.299 -179.951 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.464 ' O ' ' CB ' ' A' ' 28' ' ' PRO . 58.8 m-20 -95.75 160.55 14.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 10.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 44.2 p -119.64 -47.38 2.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 10.0 109.996 -179.997 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 40.2 t -44.91 -54.04 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 10.0 109.32 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.771 ' C ' HD12 ' A' ' 104' ' ' ILE . 1.7 pp -66.13 168.26 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 10.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.541 ' C ' HD12 ' A' ' 106' ' ' LEU . 0.0 OUTLIER -177.8 -175.67 0.52 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 10.0 109.974 179.967 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.541 HD12 ' C ' ' A' ' 105' ' ' SER . 5.8 mp -112.6 27.17 9.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 10.0 109.285 -179.94 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.406 ' O ' ' N ' ' A' ' 109' ' ' ASP . 16.9 m -97.62 161.91 13.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 10.0 110.015 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -65.65 74.97 0.1 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.536 1.148 . . . . 10.0 110.952 -179.978 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 107' ' ' SER . 2.0 m-20 173.31 -56.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 0.768 . . . . 10.0 109.28 179.947 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 52.8 m80 -109.0 13.47 24.65 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.542 1.151 . . . . 10.0 109.586 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 22.9 p -43.79 116.05 0.91 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 10.0 109.988 -179.977 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.471 ' CD1' ' CE2' ' A' ' 20' ' ' PHE . 1.1 pt -88.25 -14.32 9.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 10.0 109.258 -179.961 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 4.8 mt -55.9 132.81 19.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 10.0 109.316 179.953 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 111.48 5.38 26.22 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.48 1.112 . . . . 10.0 110.967 179.968 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.721 ' HB2' HD13 ' A' ' 149' ' ' ILE . 8.2 mtt85 -84.71 117.48 23.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 0.778 . . . . 10.0 110.33 179.951 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 116' ' ' THR . . . . . 1.001 HG23 HG23 ' A' ' 148' ' ' VAL . 5.5 m -97.88 86.8 3.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 10.0 110.374 -179.98 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.7 HD13 ' HA ' ' A' ' 46' ' ' HIS . 4.5 mm? -66.48 77.98 0.1 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 10.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.589 HG13 ' O ' ' A' ' 144' ' ' LEU . 91.7 t -81.49 142.35 13.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 10.0 109.335 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.604 HG22 ' HB3' ' A' ' 145' ' ' ALA . 33.1 m -107.58 156.59 8.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 10.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 36.9 m170 -104.55 147.51 27.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 10.0 109.548 -179.96 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.64 -26.42 63.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 10.0 110.314 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.514 ' C ' ' HB1' ' A' ' 140' ' ' ALA . 2.7 mmtt -142.28 168.44 19.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 10.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.901 ' HB2' ' O ' ' A' ' 42' ' ' LEU . . . -73.3 130.61 40.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 10.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 21.0 p-10 -60.19 -15.86 27.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 10.0 109.317 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 61.62 22.64 13.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 10.0 109.327 -179.976 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.3 mt 58.58 16.93 4.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.158 . . . . 10.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 96.09 128.36 5.66 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.554 1.159 . . . . 10.0 111.036 -179.949 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.62 -29.93 14.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 0.792 . . . . 10.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.475 ' HA2' ' CE1' ' A' ' 71' ' ' HIS . . . 119.95 2.48 12.59 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.512 1.133 . . . . 10.0 111.003 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 130' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 129' ' ' GLY . . . -57.74 -156.42 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.014 -0.834 . . . . 10.0 111.014 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 131' ' ' ASN . . . . . 0.427 ' O ' ' CB ' ' A' ' 132' ' ' GLU . 72.9 m-80 -152.59 127.52 9.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 0.758 . . . . 10.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.427 ' CB ' ' O ' ' A' ' 131' ' ' ASN . 4.3 tt0 80.71 -2.58 1.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 10.0 110.321 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -120.07 -52.71 2.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 10.0 110.317 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 134' ' ' SER . . . . . 0.421 ' HG ' ' CG ' ' A' ' 71' ' ' HIS . 5.9 p -80.78 -35.23 33.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.143 . . . . 10.0 110.029 179.924 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -61.12 -13.9 20.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 10.0 110.38 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 33.9 mttt -114.64 -52.44 2.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 10.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 37.4 p -123.34 -96.04 0.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 10.0 110.397 179.999 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 138' ' ' GLY . . . . . 0.408 ' C ' ' N ' ' A' ' 140' ' ' ALA . . . -171.64 35.95 0.16 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.549 1.156 . . . . 10.0 111.039 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 42.41 30.6 0.22 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 0.743 . . . . 10.0 109.334 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.514 ' HB1' ' C ' ' A' ' 122' ' ' LYS . . . -92.81 -60.94 1.69 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.488 1.118 . . . . 10.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -157.92 -108.69 0.27 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.517 1.136 . . . . 10.0 111.038 179.976 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.88 -160.41 1.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 0.774 . . . . 10.0 109.96 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 143' ' ' ARG . . . . . 0.57 ' HB3' HG11 ' A' ' 118' ' ' VAL . 0.3 OUTLIER -93.94 125.01 38.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 10.0 110.273 -179.964 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.589 ' O ' HG13 ' A' ' 118' ' ' VAL . 28.7 mt -136.51 153.68 50.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 10.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 145' ' ' ALA . . . . . 0.604 ' HB3' HG22 ' A' ' 119' ' ' VAL . . . 72.93 160.95 0.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 10.0 109.257 179.959 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 146' ' ' CYS . . . . . 1.334 ' SG ' ' SG ' ' A' ' 57' ' ' CYS . 7.2 p -154.37 63.76 0.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 10.0 108.272 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 147' ' ' GLY . . . . . 0.658 ' C ' ' HB1' ' A' ' 6' ' ' ALA . . . -75.78 61.49 2.89 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.512 1.132 . . . . 10.0 111.003 179.963 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 1.001 HG23 HG23 ' A' ' 116' ' ' THR . 2.3 t -70.15 138.45 22.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.452 0.737 . . . . 10.0 109.288 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 149' ' ' ILE . . . . . 0.823 HG23 ' HB1' ' A' ' 4' ' ' ALA . 4.4 mp -71.89 123.41 26.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 10.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -139.71 115.49 1.1 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.459 1.099 . . . . 10.0 111.031 179.962 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 21.4 mm -41.52 144.12 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.496 0.762 . . . . 10.0 109.309 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 152' ' ' ALA . . . . . 0.521 ' CB ' HG23 ' A' ' 5' ' ' VAL . . . -143.98 175.04 10.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 10.0 109.323 -179.978 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 3.8 pm0 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 10.0 110.326 179.945 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.473 ' N ' ' O ' ' A' ' 22' ' ' GLN . . . . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.32 -0.622 . . . . 10.0 109.32 . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.435 HG22 HD12 ' A' ' 151' ' ' ILE . 0.0 OUTLIER -83.78 84.83 7.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 10.0 110.379 -179.992 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.83 105.16 16.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.091 . . . . 10.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 1.01 ' HB1' HG23 ' A' ' 149' ' ' ILE . . . -84.44 159.1 20.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 10.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.518 ' CG2' ' CB ' ' A' ' 152' ' ' ALA . 1.5 t -131.37 144.04 38.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 10.0 109.266 -179.959 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.929 ' HB3' ' CG1' ' A' ' 18' ' ' ILE . . . -151.1 88.76 1.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 10.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.677 ' O ' HG23 ' A' ' 7' ' ' VAL . 8.4 m -82.55 99.11 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 10.0 109.294 179.951 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.704 HD13 ' H ' ' A' ' 147' ' ' GLY . 3.4 mm? -48.87 140.83 8.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 10.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 26.3 tttt -176.44 140.8 0.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 10.0 109.293 -179.975 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 172.4 -71.01 0.11 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.458 1.099 . . . . 10.0 111.02 179.956 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -63.02 -59.98 4.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 0.752 . . . . 10.0 109.28 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.409 ' N ' ' CD ' ' A' ' 13' ' ' PRO . . . 155.98 -55.88 0.4 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.497 1.123 . . . . 10.0 111.03 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.412 ' O ' ' O ' ' A' ' 36' ' ' LYS . 18.4 Cg_endo -74.99 -31.65 6.05 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.521 1.801 . . . . 10.0 111.036 179.97 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.818 HG11 ' HB2' ' A' ' 145' ' ' ALA . 2.3 t -76.61 94.95 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 10.0 109.331 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.425 ' HA ' ' O ' ' A' ' 8' ' ' LEU . 0.3 OUTLIER -122.53 36.84 4.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 10.0 110.338 179.999 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.476 ' CA ' ' HB2' ' A' ' 8' ' ' LEU . . . -51.64 166.77 0.8 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.497 1.123 . . . . 10.0 110.995 -179.973 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.431 HG13 ' C ' ' A' ' 16' ' ' GLY . 60.6 mt -143.03 111.48 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 0.765 . . . . 10.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.938 HD11 HD11 ' A' ' 149' ' ' ILE . 0.5 OUTLIER -105.89 161.1 5.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 10.0 109.336 179.972 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.853 ' N ' HD12 ' A' ' 18' ' ' ILE . 0.1 OUTLIER -152.21 120.6 6.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 10.0 109.332 179.996 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.938 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 2.7 m-30 -103.94 106.61 17.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 10.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -96.71 150.12 21.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 10.0 110.32 179.983 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.473 ' O ' ' N ' ' A' ' 1' ' ' ALA . 47.4 tt0 -137.37 65.15 1.5 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 10.0 110.305 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.6 mttt -76.35 56.62 1.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 10.0 109.27 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -155.46 172.16 18.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 10.0 110.32 179.958 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.7 m -71.11 56.5 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 10.0 110.001 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 63.55 30.59 15.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 10.0 109.292 179.979 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -88.47 -113.57 1.2 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.497 1.123 . . . . 10.0 111.028 179.965 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.453 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 18.1 Cg_endo -75.04 166.15 29.76 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.547 1.814 . . . . 10.0 110.951 -179.97 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.685 HG21 ' CD1' ' A' ' 106' ' ' LEU . 21.2 t -128.96 107.55 15.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 10.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.26 96.08 0.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 10.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.852 HG13 ' CE1' ' A' ' 20' ' ' PHE . 32.5 t -84.81 134.24 27.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 10.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -168.03 162.28 13.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 10.0 107.998 179.962 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.415 ' O ' ' HA ' ' A' ' 96' ' ' ASP . . . 175.62 -170.57 43.59 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.513 1.133 . . . . 10.0 110.993 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.2 t -155.62 118.75 4.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 0.741 . . . . 10.0 110.008 179.969 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.688 HG21 HD13 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -84.07 165.43 2.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.121 . . . . 10.0 109.301 179.998 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.488 ' N ' HG23 ' A' ' 35' ' ' ILE . 35.0 mttt -155.49 115.07 3.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 10.0 109.33 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.455 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 133.44 -43.02 1.31 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.447 1.092 . . . . 10.0 111.024 -179.983 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.688 HD13 HG21 ' A' ' 35' ' ' ILE . 0.2 OUTLIER -52.76 -170.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 0.767 . . . . 10.0 109.283 -179.982 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.435 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 43.4 p -126.34 149.86 48.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 10.0 110.413 -179.954 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.8 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 0.2 OUTLIER -54.65 124.86 17.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.15 . . . . 10.0 110.283 -179.998 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 131.13 -179.51 16.95 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.519 1.137 . . . . 10.0 111.04 -179.988 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.822 HD23 ' ND2' ' A' ' 86' ' ' ASN . 4.6 mp -64.04 140.09 58.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 0.771 . . . . 10.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.435 ' CD2' ' O ' ' A' ' 39' ' ' THR . 75.4 m-70 -152.28 173.99 14.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 10.0 109.599 179.975 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.77 158.08 23.21 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.474 1.109 . . . . 10.0 110.993 179.978 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.561 ' CE1' ' HB3' ' A' ' 117' ' ' LEU . 73.1 t80 178.12 87.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 0.791 . . . . 10.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.487 ' HA ' HD13 ' A' ' 117' ' ' LEU . 0.0 OUTLIER -154.51 166.4 33.42 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.507 1.129 . . . . 10.0 109.606 179.983 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.571 HG13 ' H ' ' A' ' 116' ' ' THR . 41.9 t -76.0 169.58 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.103 . . . . 10.0 109.316 -179.957 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.542 ' N ' HG12 ' A' ' 47' ' ' VAL . 0.0 OUTLIER -149.23 145.23 27.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 10.0 109.585 -179.967 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.85 -59.01 2.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 10.0 110.329 179.975 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -175.42 176.8 1.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 10.0 110.303 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -169.22 -77.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 10.0 110.251 -179.98 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.04 173.48 7.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 10.0 109.281 -179.955 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -101.04 57.13 0.86 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 10.0 109.295 179.972 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.552 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 10.8 t -108.89 -44.03 4.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 10.0 110.388 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.552 ' HB3' ' O ' ' A' ' 54' ' ' THR . . . 74.31 115.93 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 10.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -106.17 -47.68 1.06 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.534 1.146 . . . . 10.0 110.978 -179.974 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 55.9 m -141.58 -89.98 0.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.346 -0.983 . . . . 10.0 108.346 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.497 ' O ' ' CB ' ' A' ' 59' ' ' SER . 40.1 p -136.29 -149.13 0.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 10.0 110.364 -180.0 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 58' ' ' THR . 1.0 OUTLIER 160.21 91.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 10.0 110.015 -179.99 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -157.49 80.04 0.88 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 10.0 109.284 179.985 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.499 ' N ' ' CD ' ' A' ' 62' ' ' PRO . . . 161.58 -51.41 0.33 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.512 1.132 . . . . 10.0 110.966 179.951 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.499 ' CD ' ' N ' ' A' ' 61' ' ' GLY . 18.5 Cg_endo -74.92 155.79 43.31 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.482 1.78 . . . . 10.0 110.997 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.431 ' CG ' ' O ' ' A' ' 63' ' ' HIS . 1.6 t60 -152.51 51.42 0.77 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 10.0 109.647 179.945 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.749 ' HB2' HG21 ' A' ' 81' ' ' VAL . 0.4 OUTLIER -161.15 -174.29 4.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 10.0 111.011 179.989 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -88.34 150.71 47.41 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.502 1.126 . . . . 10.0 109.256 -179.965 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.448 ' CG ' ' HB2' ' A' ' 48' ' ' HIS . 18.3 Cg_endo -75.02 59.0 5.09 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.504 1.791 . . . . 10.0 110.992 179.965 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.511 ' CD1' ' O ' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -160.79 27.55 0.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 10.0 109.32 179.97 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.474 ' HB3' ' N ' ' A' ' 79' ' ' ARG . 2.9 m 51.0 45.4 27.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 10.0 110.029 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.57 ' O ' ' CG ' ' A' ' 70' ' ' LYS . 0.4 OUTLIER 80.65 -47.3 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 10.0 110.311 -179.966 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.57 ' CG ' ' O ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER 92.7 173.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 10.0 109.348 -179.959 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.596 ' CG ' ' O ' ' A' ' 71' ' ' HIS . 0.0 OUTLIER 64.56 97.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 10.0 109.594 -179.988 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -130.45 -116.48 1.84 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.537 1.148 . . . . 10.0 110.999 179.97 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.596 ' N ' ' CD ' ' A' ' 74' ' ' PRO . . . 150.62 -45.35 0.66 Allowed Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.03 -0.828 . . . . 10.0 111.03 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.596 ' CD ' ' N ' ' A' ' 73' ' ' GLY . 18.2 Cg_endo -75.08 60.66 5.55 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.493 1.786 . . . . 10.0 110.974 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.1 tptt 55.87 31.61 18.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 10.0 109.32 -179.99 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.442 ' CB ' HD12 ' A' ' 126' ' ' LEU . 0.0 OUTLIER 73.5 95.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 10.0 109.281 179.959 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.432 ' CB ' ' HG2' ' A' ' 74' ' ' PRO . 0.3 OUTLIER -127.74 3.4 6.07 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 10.0 110.281 -179.981 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.484 ' O ' ' CB ' ' A' ' 79' ' ' ARG . 0.1 OUTLIER -47.48 175.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 10.0 110.314 179.971 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.484 ' CB ' ' O ' ' A' ' 78' ' ' GLU . 0.0 OUTLIER 158.35 157.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 10.0 110.321 -179.993 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.523 ' CG ' ' HD2' ' A' ' 69' ' ' ARG . 0.1 OUTLIER 171.53 -33.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 10.0 109.564 -179.978 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.749 HG21 ' HB2' ' A' ' 64' ' ' PHE . 25.3 t -122.54 -66.4 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 10.0 109.294 -179.96 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.417 ' O ' ' CB ' ' A' ' 83' ' ' ASP . . . -73.33 -42.74 41.02 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.522 1.139 . . . . 10.0 111.019 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.417 ' CB ' ' O ' ' A' ' 82' ' ' GLY . 0.2 OUTLIER 75.96 165.93 0.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 0.776 . . . . 10.0 109.287 179.976 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.866 HD13 HG12 ' A' ' 87' ' ' VAL . 0.1 OUTLIER 70.11 105.52 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 10.0 109.256 179.98 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -41.72 -73.08 0.23 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.526 1.141 . . . . 10.0 110.978 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.822 ' ND2' HD23 ' A' ' 42' ' ' LEU . 1.1 t30 -145.7 151.49 38.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 0.749 . . . . 10.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.866 HG12 HD13 ' A' ' 84' ' ' LEU . 3.1 m -108.78 162.75 6.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 10.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 6.0 m -124.97 141.97 51.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 10.0 110.432 179.947 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.8 ' HB3' ' HA ' ' A' ' 40' ' ' GLU . . . -85.32 172.61 10.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 10.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.459 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 6.3 t0 -82.35 -95.7 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 10.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.459 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 58.6 pttt -139.04 11.67 2.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 10.0 109.331 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -154.66 24.18 0.46 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 10.0 109.354 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.517 ' CA ' ' HB1' ' A' ' 89' ' ' ALA . . . 89.71 -32.0 5.0 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.46 1.1 . . . . 10.0 110.993 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.487 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 20.4 t -40.73 98.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 0.765 . . . . 10.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 93' ' ' GLY . . . -106.31 116.75 32.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 10.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.415 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 4.4 p-10 -108.93 151.82 25.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 10.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.415 HG12 ' N ' ' A' ' 98' ' ' SER . 44.1 t -120.3 161.94 19.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 10.0 109.29 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.415 ' N ' HG12 ' A' ' 97' ' ' VAL . 18.5 p -170.81 86.58 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 10.0 109.981 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 28.1 mt -134.29 153.87 36.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 10.0 109.275 -179.972 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -128.33 91.45 3.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 10.0 110.32 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.453 ' O ' ' CB ' ' A' ' 28' ' ' PRO . 0.3 OUTLIER -91.88 147.87 22.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 10.0 109.346 179.996 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 10.8 p -125.37 8.76 7.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 10.0 109.977 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 5.5 t -89.45 -53.14 9.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.158 . . . . 10.0 109.344 179.957 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.786 ' C ' HD12 ' A' ' 104' ' ' ILE . 1.7 pp -70.06 178.3 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 10.0 109.249 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.87 161.19 36.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 10.0 110.024 179.977 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.685 ' CD1' HG21 ' A' ' 29' ' ' VAL . 7.4 mp -83.59 -39.38 20.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 10.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -149.69 113.1 4.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 10.0 109.973 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 173.53 -73.7 0.09 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.446 1.091 . . . . 10.0 111.038 -179.995 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -142.28 -47.35 0.34 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 0.752 . . . . 10.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 26.6 m80 -99.5 47.81 0.95 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 10.0 109.632 179.977 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 92.2 p -48.18 117.5 1.97 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 10.0 110.026 -179.956 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.461 ' CG2' ' HB ' ' A' ' 104' ' ' ILE . 2.2 pp -92.76 -26.28 4.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 10.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.654 HD11 HD23 ' A' ' 106' ' ' LEU . 37.5 mm -40.0 104.93 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 10.0 109.25 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 121.91 36.26 0.73 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.483 1.115 . . . . 10.0 110.972 179.949 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.565 HH11 HG21 ' A' ' 47' ' ' VAL . 0.1 OUTLIER -84.58 105.52 15.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 0.747 . . . . 10.0 110.33 179.984 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.739 ' O ' HG23 ' A' ' 118' ' ' VAL . 11.1 m -90.13 64.9 6.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 10.0 110.348 -179.947 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.561 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 3.9 mm? -51.42 107.14 0.17 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.464 1.103 . . . . 10.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 1.013 HG22 ' O ' ' A' ' 145' ' ' ALA . 70.0 t -111.62 134.68 53.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 10.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 11.4 m -93.69 135.35 28.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 10.0 109.309 179.983 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.557 ' CE1' ' HA2' ' A' ' 141' ' ' GLY . 0.0 OUTLIER -84.98 146.84 27.01 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.134 . . . . 10.0 109.64 179.982 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.533 ' CG ' ' CB ' ' A' ' 142' ' ' SER . 0.1 OUTLIER -33.79 -50.11 0.35 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.098 . . . . 10.0 110.317 -179.983 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.504 ' H ' ' HB1' ' A' ' 140' ' ' ALA . 0.3 OUTLIER -135.88 -162.23 1.25 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 10.0 109.272 179.946 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.607 ' HB2' ' C ' ' A' ' 42' ' ' LEU . . . -84.38 -175.25 5.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 10.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -136.62 79.07 1.74 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 10.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 125' ' ' ASP . . . . . 0.403 ' O ' ' OD1' ' A' ' 76' ' ' ASP . 0.3 OUTLIER -61.0 -27.92 68.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 10.0 109.282 179.987 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.861 HD23 ' HA ' ' A' ' 135' ' ' THR . 1.9 mt 61.71 14.88 6.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 10.0 109.307 -179.966 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 127' ' ' GLY . . . . . 0.429 ' O ' ' N ' ' A' ' 130' ' ' GLY . . . -125.6 -76.13 0.26 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.44 1.088 . . . . 10.0 111.014 179.969 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 40.75 35.03 0.29 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 0.768 . . . . 10.0 109.277 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 52.37 46.19 57.89 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.504 1.127 . . . . 10.0 110.99 179.96 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 130' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 127' ' ' GLY . . . -174.92 175.78 47.05 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.029 -0.829 . . . . 10.0 111.029 -179.983 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 131' ' ' ASN . . . . . 0.513 ' O ' ' CB ' ' A' ' 132' ' ' GLU . 2.4 m-80 -151.36 105.02 3.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 0.801 . . . . 10.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.513 ' CB ' ' O ' ' A' ' 131' ' ' ASN . 2.4 mt-10 160.05 -25.51 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 10.0 110.322 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.31 -69.79 0.84 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 10.0 110.264 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 134' ' ' SER . . . . . 0.512 ' HA ' ' CA ' ' A' ' 138' ' ' GLY . 0.0 OUTLIER -65.59 -40.78 93.08 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.491 1.119 . . . . 10.0 110.012 -179.983 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 135' ' ' THR . . . . . 0.861 ' HA ' HD23 ' A' ' 126' ' ' LEU . 0.7 OUTLIER -69.23 -4.72 18.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 10.0 110.375 179.987 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -105.17 -51.29 3.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 10.0 109.316 -179.99 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 137' ' ' THR . . . . . 0.5 ' O ' ' CD2' ' A' ' 67' ' ' LEU . 50.3 p -122.83 -34.37 3.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.137 . . . . 10.0 110.395 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 138' ' ' GLY . . . . . 0.512 ' CA ' ' HA ' ' A' ' 134' ' ' SER . . . 113.9 17.55 7.32 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.452 1.095 . . . . 10.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 139' ' ' ASN . . . . . 0.423 ' N ' ' HA ' ' A' ' 134' ' ' SER . 14.9 t-20 59.72 71.12 0.59 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 0.761 . . . . 10.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.504 ' HB1' ' H ' ' A' ' 122' ' ' LYS . . . -172.43 -68.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 10.0 109.315 -179.962 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 141' ' ' GLY . . . . . 0.557 ' HA2' ' CE1' ' A' ' 120' ' ' HIS . . . 49.83 105.24 0.01 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.527 1.142 . . . . 10.0 111.0 179.983 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 142' ' ' SER . . . . . 0.575 ' O ' HD23 ' A' ' 144' ' ' LEU . 0.4 OUTLIER 178.91 94.56 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.442 0.731 . . . . 10.0 109.979 179.994 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 143' ' ' ARG . . . . . 1.009 ' HG2' HG11 ' A' ' 118' ' ' VAL . 1.0 OUTLIER -77.46 111.05 12.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 10.0 110.308 179.975 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.688 ' O ' HG13 ' A' ' 118' ' ' VAL . 0.4 OUTLIER -142.88 146.44 34.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 10.0 109.315 179.979 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 145' ' ' ALA . . . . . 1.013 ' O ' HG22 ' A' ' 118' ' ' VAL . . . 79.49 143.38 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 10.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 146' ' ' CYS . . . . . 0.546 ' HB2' HG23 ' A' ' 116' ' ' THR . 6.5 p -155.46 58.26 0.63 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 10.0 108.291 179.975 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 147' ' ' GLY . . . . . 0.704 ' H ' HD13 ' A' ' 8' ' ' LEU . . . -36.2 -52.84 1.28 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.462 1.101 . . . . 10.0 111.023 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.581 HG23 HG23 ' A' ' 116' ' ' THR . 4.1 t 63.94 127.86 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.499 0.764 . . . . 10.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 149' ' ' ILE . . . . . 1.01 HG23 ' HB1' ' A' ' 4' ' ' ALA . 21.5 mm -85.83 128.01 39.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 10.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -140.82 113.42 0.86 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.501 1.125 . . . . 10.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 151' ' ' ILE . . . . . 0.539 HD11 HD23 ' A' ' 106' ' ' LEU . 16.2 mm -41.18 139.61 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.522 0.778 . . . . 10.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 152' ' ' ALA . . . . . 0.518 ' CB ' ' CG2' ' A' ' 5' ' ' VAL . . . -137.03 165.73 25.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 10.0 109.339 179.955 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 10.0 110.268 -179.959 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.559 ' H1 ' ' HG2' ' A' ' 23' ' ' LYS . . . . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.253 -0.647 . . . . 10.0 109.253 . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.979 HG22 HD12 ' A' ' 151' ' ' ILE . 1.8 m -102.54 97.96 8.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 10.0 110.4 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.15 139.98 30.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 10.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.998 ' HB3' ' HB2' ' A' ' 20' ' ' PHE . . . -122.63 162.81 21.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.137 . . . . 10.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.463 HG23 ' HB2' ' A' ' 152' ' ' ALA . 2.4 t -131.46 151.67 35.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 10.0 109.301 179.954 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.628 ' HB3' HG23 ' A' ' 18' ' ' ILE . . . -155.9 88.8 1.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 10.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.522 ' O ' HG23 ' A' ' 7' ' ' VAL . 10.1 m -88.79 112.14 23.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 10.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.676 HD23 ' N ' ' A' ' 8' ' ' LEU . 0.3 OUTLIER -62.79 117.83 6.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 10.0 109.313 179.99 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -150.32 112.19 4.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 10.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.455 ' O ' ' C ' ' A' ' 11' ' ' ASP . . . -167.21 -103.67 0.17 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.521 1.138 . . . . 10.0 110.986 179.947 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.717 ' OD2' HD22 ' A' ' 144' ' ' LEU . 39.6 t0 -35.86 -46.72 0.47 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 0.779 . . . . 10.0 109.34 -179.97 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 134.69 -63.03 0.61 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.499 1.124 . . . . 10.0 111.022 179.962 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.478 ' C ' HG23 ' A' ' 14' ' ' VAL . 18.2 Cg_endo -75.02 46.02 1.46 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.458 1.767 . . . . 10.0 111.004 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.478 HG23 ' C ' ' A' ' 13' ' ' PRO . 50.5 t -155.11 59.72 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 10.0 109.329 -180.0 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -90.29 53.28 2.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 10.0 110.312 -179.985 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.474 ' CA ' ' HA ' ' A' ' 35' ' ' ILE . . . -74.55 151.66 43.48 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.471 1.107 . . . . 10.0 111.015 179.979 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 91.6 mt -126.9 96.91 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.479 0.753 . . . . 10.0 109.324 -179.986 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.628 HG23 ' HB3' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -115.24 150.24 17.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 10.0 109.312 -179.999 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.428 ' OD1' ' C ' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -140.87 169.57 17.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 10.0 109.316 179.996 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.998 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 6.5 m-85 -123.19 143.08 50.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.095 . . . . 10.0 111.021 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -131.45 139.68 49.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 10.0 110.299 -179.973 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -151.45 88.48 1.43 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.561 1.163 . . . . 10.0 110.311 179.988 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.559 ' HG2' ' H1 ' ' A' ' 1' ' ' ALA . 0.1 OUTLIER -87.77 42.57 1.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 10.0 109.29 179.999 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.402 ' HB3' ' N ' ' A' ' 27' ' ' GLY . 7.6 mm-40 -155.51 142.41 19.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.562 1.164 . . . . 10.0 110.299 -179.976 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.86 -2.34 58.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 10.0 109.984 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -163.63 35.08 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 10.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.402 ' N ' ' HB3' ' A' ' 24' ' ' GLU . . . -119.27 -167.86 13.84 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.461 1.101 . . . . 10.0 111.004 179.963 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.479 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 18.3 Cg_endo -75.02 176.59 9.71 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.494 1.786 . . . . 10.0 111.003 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 49.1 t -125.02 103.56 12.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 10.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -69.63 96.0 0.91 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 10.0 109.268 -179.97 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 98.3 t -97.53 142.43 14.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 10.0 109.298 179.975 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 7.1 p90 -161.03 149.49 16.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 10.0 108.023 179.989 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.442 ' CA ' ' HA ' ' A' ' 18' ' ' ILE . . . -163.46 -169.64 27.22 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.546 1.153 . . . . 10.0 110.963 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.9 m -157.78 121.47 4.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 0.775 . . . . 10.0 110.034 -179.995 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.643 ' HB ' ' HB3' ' A' ' 95' ' ' ALA . 0.4 OUTLIER -84.79 167.42 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 10.0 109.29 -179.964 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.51 ' N ' HG23 ' A' ' 35' ' ' ILE . 27.8 mttt -155.78 114.61 3.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 10.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.439 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 132.35 -43.94 1.24 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.498 1.124 . . . . 10.0 111.053 -179.966 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 1.111 HD22 ' CE1' ' A' ' 43' ' ' HIS . 0.3 OUTLIER -55.54 -164.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 0.753 . . . . 10.0 109.333 179.988 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.9 p -142.7 153.06 43.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 10.0 110.417 179.985 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.895 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 0.6 OUTLIER -51.94 122.33 8.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 10.0 110.292 179.998 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 146.33 158.34 7.72 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.455 1.097 . . . . 10.0 111.012 179.97 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.525 ' C ' ' HB2' ' A' ' 123' ' ' ALA . 0.8 OUTLIER -62.07 137.88 58.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 0.764 . . . . 10.0 109.278 -179.94 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 1.111 ' CE1' HD22 ' A' ' 38' ' ' LEU . 23.3 m170 -123.09 162.54 22.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 10.0 109.654 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.554 ' HA3' ' CG ' ' A' ' 120' ' ' HIS . . . -56.01 -169.45 0.08 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.525 1.141 . . . . 10.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.653 ' CZ ' ' NH2' ' A' ' 69' ' ' ARG . 14.1 m-85 -104.23 154.13 20.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 0.753 . . . . 10.0 110.962 -179.974 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.549 ' CG ' HD13 ' A' ' 117' ' ' LEU . 5.0 m-70 -72.99 173.85 8.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 10.0 109.595 179.965 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.432 HG12 ' HB2' ' A' ' 64' ' ' PHE . 5.6 t 59.04 117.61 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 10.0 109.296 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.458 ' O ' ' ND1' ' A' ' 48' ' ' HIS . 0.0 OUTLIER -165.4 124.72 1.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 10.0 109.599 -179.983 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -109.16 -164.51 0.94 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 10.0 110.326 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 76.42 100.75 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 10.0 110.298 -179.997 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 174.79 -163.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 10.0 110.314 179.993 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.402 ' O ' ' CB ' ' A' ' 53' ' ' ASN . 24.4 t0 177.23 126.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.088 . . . . 10.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.402 ' CB ' ' O ' ' A' ' 52' ' ' ASP . 1.5 m120 74.74 76.92 0.11 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 10.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.531 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 9.8 t -95.06 -50.3 5.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 10.0 110.431 179.972 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.531 ' HB3' ' O ' ' A' ' 54' ' ' THR . . . 73.55 -58.77 0.58 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 10.0 109.271 179.948 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.453 ' O ' ' CB ' ' A' ' 57' ' ' CYS . . . -81.33 64.36 4.18 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.529 1.143 . . . . 10.0 111.014 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.453 ' CB ' ' O ' ' A' ' 56' ' ' GLY . 0.6 OUTLIER 162.11 154.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.333 -0.988 . . . . 10.0 108.333 -179.992 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -100.45 -9.08 22.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 10.0 110.379 -179.956 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 49.3 m 52.03 79.54 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 10.0 110.036 -179.96 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.416 ' HB2' HG11 ' A' ' 148' ' ' VAL . . . -61.49 -81.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 10.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -155.41 75.11 0.23 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.5 1.125 . . . . 10.0 111.018 -179.982 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 118.23 5.18 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.442 1.759 . . . . 10.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -130.46 81.02 1.98 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 10.0 109.559 -179.977 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.629 ' HA ' HG21 ' A' ' 81' ' ' VAL . 55.2 t80 -150.7 111.0 4.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 10.0 111.012 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -101.21 148.57 35.32 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 10.0 109.277 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 62.16 5.78 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.477 1.777 . . . . 10.0 111.049 179.952 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -174.75 35.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 10.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.556 ' HB3' HG23 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -103.22 -63.59 1.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 10.0 109.996 179.975 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.653 ' NH2' ' CZ ' ' A' ' 45' ' ' PHE . 0.1 OUTLIER -93.0 65.47 4.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 10.0 110.293 -179.997 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -46.74 95.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 10.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.538 ' CG ' ' O ' ' A' ' 71' ' ' HIS . 35.9 p-80 42.36 88.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 10.0 109.577 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -119.24 -125.46 3.38 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.499 1.124 . . . . 10.0 110.952 -179.984 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 144.73 -140.29 9.11 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.995 -0.842 . . . . 10.0 110.995 -179.97 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -42.41 0.51 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.484 1.781 . . . . 10.0 110.979 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp -58.74 -28.5 65.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 10.0 109.268 -179.967 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 58.63 92.85 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.547 1.154 . . . . 10.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -111.8 -16.42 13.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 10.0 110.333 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.529 ' O ' ' CB ' ' A' ' 79' ' ' ARG . 0.9 OUTLIER -148.76 160.81 42.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 10.0 110.301 179.989 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.529 ' CB ' ' O ' ' A' ' 78' ' ' GLU . 0.0 OUTLIER 155.9 89.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 10.0 110.285 -179.994 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 56.9 t-80 -77.96 -21.99 50.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 10.0 109.586 179.99 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.629 HG21 ' HA ' ' A' ' 64' ' ' PHE . 63.3 t -95.29 -94.79 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 10.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.548 ' N ' HG12 ' A' ' 81' ' ' VAL . . . -171.1 44.81 0.19 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.454 1.096 . . . . 10.0 111.026 179.968 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -39.89 -57.43 1.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 0.755 . . . . 10.0 109.254 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 80.55 -73.07 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 10.0 109.336 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 168.75 167.42 29.36 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.476 1.11 . . . . 10.0 110.993 179.955 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 11.3 p30 -83.64 137.83 33.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 0.745 . . . . 10.0 109.333 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.523 HG11 ' NE2' ' A' ' 46' ' ' HIS . 16.0 m -94.2 170.45 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 10.0 109.324 -179.976 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 6.4 m -143.0 151.13 40.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.113 . . . . 10.0 110.421 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.895 ' HB3' ' HA ' ' A' ' 40' ' ' GLU . . . -84.28 164.1 19.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.157 . . . . 10.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.453 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 12.5 t0 -72.8 -96.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.433 1.083 . . . . 10.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.453 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 12.9 ptpt -137.13 10.01 3.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 10.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -158.34 25.7 0.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 10.0 109.344 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.599 ' CA ' ' HB1' ' A' ' 89' ' ' ALA . . . 96.77 -41.71 2.32 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.501 1.126 . . . . 10.0 111.042 -179.959 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.463 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 22.8 t -39.3 96.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.501 0.765 . . . . 10.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.643 ' HB3' ' HB ' ' A' ' 35' ' ' ILE . . . -95.27 113.7 25.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 10.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.423 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 1.4 t70 -100.33 145.89 27.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 10.0 109.266 -179.961 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.532 HG13 HD12 ' A' ' 99' ' ' ILE . 54.1 t -117.55 156.02 19.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 10.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 70.5 p -177.56 84.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 10.0 109.983 179.992 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.532 HD12 HG13 ' A' ' 97' ' ' VAL . 1.7 mp -129.96 147.93 33.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 10.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -121.28 91.08 3.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 10.0 110.304 180.0 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.479 ' O ' ' CB ' ' A' ' 28' ' ' PRO . 0.4 OUTLIER -92.44 133.33 36.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 10.0 109.301 -179.964 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.422 ' CA ' ' HB3' ' A' ' 28' ' ' PRO . 98.1 p -115.81 41.19 2.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 10.0 110.018 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 50.6 t -126.73 -58.65 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 10.0 109.266 -179.91 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.73 ' C ' HD12 ' A' ' 104' ' ' ILE . 1.7 pp -52.56 176.38 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 10.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -145.31 145.79 31.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 10.0 110.028 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -52.38 -57.5 9.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 10.0 109.284 -179.972 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.42 84.47 0.98 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.125 . . . . 10.0 110.07 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.607 ' O ' ' CB ' ' A' ' 109' ' ' ASP . . . 147.53 113.98 0.78 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.513 1.133 . . . . 10.0 110.997 -179.966 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.607 ' CB ' ' O ' ' A' ' 108' ' ' GLY . 9.6 t70 90.58 -44.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 0.768 . . . . 10.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.458 ' CB ' ' HA ' ' A' ' 104' ' ' ILE . 75.8 m80 -155.77 52.42 0.57 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 10.0 109.604 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 61.6 p -46.78 115.66 1.12 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.43 1.081 . . . . 10.0 110.049 179.948 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.579 HD12 ' CD2' ' A' ' 20' ' ' PHE . 16.9 pt -84.19 -25.63 7.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 10.0 109.27 -179.963 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 48.2 mm -46.55 108.56 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 10.0 109.299 -179.963 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 113.72 16.29 8.15 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.539 1.149 . . . . 10.0 110.974 179.965 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.509 ' O ' HD22 ' A' ' 117' ' ' LEU . 4.4 mmt85 -97.32 66.23 2.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 0.744 . . . . 10.0 110.325 179.971 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.898 HG23 HG13 ' A' ' 118' ' ' VAL . 11.2 t -51.99 144.9 10.99 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.111 . . . . 10.0 110.425 -179.976 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.567 HD23 HD11 ' A' ' 149' ' ' ILE . 4.5 mm? -106.8 76.75 1.13 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 10.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.898 HG13 HG23 ' A' ' 116' ' ' THR . 1.2 m -92.91 175.11 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 10.0 109.344 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.616 HG11 ' CD1' ' A' ' 38' ' ' LEU . 34.8 m -123.24 121.5 63.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 10.0 109.258 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.682 ' CD2' ' C ' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -84.12 113.39 21.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 10.0 109.609 179.964 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.578 ' O ' ' CD2' ' A' ' 120' ' ' HIS . 0.3 OUTLIER -35.95 121.6 0.66 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 10.0 110.324 179.957 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 120' ' ' HIS . 0.0 OUTLIER 72.44 152.11 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.554 1.159 . . . . 10.0 109.335 -179.96 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.525 ' HB2' ' C ' ' A' ' 42' ' ' LEU . . . -91.23 -178.24 5.1 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 10.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.568 ' HB2' ' CZ ' ' A' ' 45' ' ' PHE . 14.1 t0 -88.53 84.95 6.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 10.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 125' ' ' ASP . . . . . 0.461 ' CB ' ' CG ' ' A' ' 128' ' ' LYS . 0.3 OUTLIER -56.1 -20.43 17.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 10.0 109.252 -179.969 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 8.2 mt 59.13 20.5 8.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 10.0 109.283 179.989 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 161.03 94.55 0.1 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.545 1.153 . . . . 10.0 110.965 179.961 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.461 ' CG ' ' CB ' ' A' ' 125' ' ' ASP . 3.3 mtpm? -118.78 -75.66 0.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 0.75 . . . . 10.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -94.41 -31.86 7.69 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.504 1.127 . . . . 10.0 111.0 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -173.11 -131.03 1.32 Allowed Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.983 -0.847 . . . . 10.0 110.983 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 131' ' ' ASN . . . . . 0.489 ' O ' ' CG ' ' A' ' 132' ' ' GLU . 7.2 m-80 -139.42 101.59 4.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 0.744 . . . . 10.0 109.252 -179.97 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.489 ' CG ' ' O ' ' A' ' 131' ' ' ASN . 3.9 mt-10 164.5 -29.09 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 10.0 110.326 179.986 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 133' ' ' GLN . . . . . 0.496 ' CB ' ' OD1' ' A' ' 139' ' ' ASN . 0.1 OUTLIER -95.01 -53.77 3.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 10.0 110.292 179.968 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 26.1 p -81.74 -20.65 38.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 10.0 109.976 -179.992 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 135' ' ' THR . . . . . 0.424 ' OG1' ' CA ' ' A' ' 132' ' ' GLU . 1.8 p -58.09 -25.77 61.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 10.0 110.37 -179.942 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -109.94 -51.13 2.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 10.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 24.4 p -122.89 -123.07 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 10.0 110.394 179.971 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 138' ' ' GLY . . . . . 0.403 ' N ' ' HE1' ' A' ' 120' ' ' HIS . . . -140.98 42.1 1.21 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.498 1.124 . . . . 10.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 139' ' ' ASN . . . . . 0.496 ' OD1' ' CB ' ' A' ' 133' ' ' GLN . 0.4 OUTLIER 40.87 37.81 0.57 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 0.745 . . . . 10.0 109.331 179.994 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.504 ' HB3' ' O ' ' A' ' 121' ' ' GLU . . . -141.42 -56.26 0.48 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 10.0 109.294 179.971 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 141' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 140' ' ' ALA . . . 36.01 65.46 0.49 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.534 1.146 . . . . 10.0 111.01 -179.963 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 142' ' ' SER . . . . . 0.463 ' CB ' ' HB2' ' A' ' 121' ' ' GLU . 0.1 OUTLIER -126.96 86.56 2.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 0.764 . . . . 10.0 110.003 179.987 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 143' ' ' ARG . . . . . 0.458 ' O ' HD23 ' A' ' 144' ' ' LEU . 0.1 OUTLIER -52.11 177.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 10.0 110.312 179.979 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.717 HD22 ' OD2' ' A' ' 11' ' ' ASP . 87.6 mt -150.5 -72.94 0.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 10.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 145' ' ' ALA . . . . . 0.418 ' O ' ' HB ' ' A' ' 118' ' ' VAL . . . -106.7 175.71 5.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 10.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 146' ' ' CYS . . . . . 0.811 ' HA ' HG12 ' A' ' 118' ' ' VAL . 30.2 p -156.1 72.61 0.77 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 10.0 108.305 179.963 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -48.23 -53.36 15.63 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.471 1.107 . . . . 10.0 110.977 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.655 HG22 ' HB ' ' A' ' 116' ' ' THR . 37.5 t 65.32 127.83 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.529 0.782 . . . . 10.0 109.312 -179.962 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 149' ' ' ILE . . . . . 0.622 HD12 ' CE1' ' A' ' 20' ' ' PHE . 5.3 mm -68.55 144.1 14.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 10.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -155.29 108.64 0.37 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.474 1.109 . . . . 10.0 110.993 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 151' ' ' ILE . . . . . 0.979 HD12 HG22 ' A' ' 2' ' ' THR . 14.6 mm -44.89 148.15 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.455 0.738 . . . . 10.0 109.233 -179.959 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 152' ' ' ALA . . . . . 0.463 ' HB2' HG23 ' A' ' 5' ' ' VAL . . . -134.55 169.44 17.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 10.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 10.0 110.256 179.996 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.316 -0.624 . . . . 10.0 109.316 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.5 m -152.85 92.3 1.63 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 10.0 110.419 179.963 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.433 ' CG ' ' O ' ' A' ' 20' ' ' PHE . 8.1 ttmt -121.45 130.7 53.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 10.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.941 ' HB3' ' HB2' ' A' ' 20' ' ' PHE . . . -100.52 159.23 15.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.092 . . . . 10.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.423 HG23 ' HB3' ' A' ' 152' ' ' ALA . 2.0 t -140.75 154.03 21.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 10.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.687 ' HB1' ' O ' ' A' ' 147' ' ' GLY . . . -152.7 91.48 1.56 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 10.0 109.322 -179.981 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.492 HG23 ' CD1' ' A' ' 17' ' ' ILE . 4.5 p -81.61 91.18 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 10.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.604 HD22 ' HA3' ' A' ' 147' ' ' GLY . 0.5 OUTLIER -39.07 126.37 1.62 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 10.0 109.296 179.991 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 10' ' ' GLY . 0.9 OUTLIER -78.98 -37.34 39.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 10.0 109.293 179.992 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.478 ' CA ' ' HB ' ' A' ' 14' ' ' VAL . . . 59.55 123.13 0.01 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.526 1.141 . . . . 10.0 110.993 179.975 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 10' ' ' GLY . 16.3 t0 -38.02 -31.38 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 0.783 . . . . 10.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -170.06 -63.71 0.04 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.493 1.121 . . . . 10.0 111.022 179.953 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.427 ' O ' ' C ' ' A' ' 14' ' ' VAL . 18.5 Cg_endo -74.94 -58.98 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.52 1.8 . . . . 10.0 111.021 179.97 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.478 ' HB ' ' CA ' ' A' ' 10' ' ' GLY . 36.4 t -37.15 142.27 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.117 . . . . 10.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -169.0 42.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 10.0 110.302 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.473 ' N ' ' HB2' ' A' ' 8' ' ' LEU . . . -59.5 169.48 6.61 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.475 1.109 . . . . 10.0 110.984 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.492 ' CD1' HG23 ' A' ' 7' ' ' VAL . 21.4 mm -141.63 98.29 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.432 0.725 . . . . 10.0 109.3 -179.957 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.828 HD12 ' H ' ' A' ' 19' ' ' ASN . 0.4 OUTLIER -114.15 138.84 42.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 10.0 109.308 179.982 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.828 ' H ' HD12 ' A' ' 18' ' ' ILE . 0.1 OUTLIER -141.34 149.52 41.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 10.0 109.297 -179.972 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.941 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 6.8 m-30 -108.75 138.2 45.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 10.0 110.99 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.502 ' HB2' ' CH2' ' A' ' 32' ' ' TRP . 8.9 tp10 -119.68 130.46 55.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 10.0 110.288 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.442 ' HG3' HG22 ' A' ' 29' ' ' VAL . 2.8 tt0 -147.84 65.72 1.11 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 10.0 110.335 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.5 mttt -75.94 57.49 1.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 10.0 109.266 -179.931 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.495 ' O ' ' CB ' ' A' ' 25' ' ' SER . 1.5 mm-40 -155.2 -44.88 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.152 . . . . 10.0 110.306 -179.982 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 0.4 OUTLIER 85.41 -11.52 0.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 10.0 109.98 179.964 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -157.75 25.94 0.28 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 10.0 109.339 179.981 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -122.27 -152.88 8.73 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.473 1.108 . . . . 10.0 110.967 -179.978 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 146.86 33.13 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.466 1.771 . . . . 10.0 110.947 -179.969 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.537 HG12 HG23 ' A' ' 31' ' ' VAL . 28.8 t -106.92 87.9 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 10.0 109.271 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.497 ' O ' ' CZ3' ' A' ' 32' ' ' TRP . 18.0 mttt -63.96 93.0 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 10.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.864 HG22 ' CD1' ' A' ' 20' ' ' PHE . 21.8 t -96.25 137.57 23.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 10.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.502 ' CH2' ' HB2' ' A' ' 21' ' ' GLU . 26.4 p90 -160.2 145.45 14.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 10.0 107.987 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.435 ' O ' ' HA ' ' A' ' 96' ' ' ASP . . . -157.99 -173.49 26.48 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.456 1.097 . . . . 10.0 110.966 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.5 t -156.92 123.45 5.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 0.771 . . . . 10.0 110.009 179.965 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.52 ' O ' ' CG ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -84.45 163.57 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.16 . . . . 10.0 109.326 179.968 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.52 ' CG ' ' O ' ' A' ' 35' ' ' ILE . 62.3 mttt -157.44 108.18 2.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.575 1.172 . . . . 10.0 109.26 179.976 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.445 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 144.43 -51.08 0.64 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.492 1.12 . . . . 10.0 111.003 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.991 HD22 ' CE1' ' A' ' 43' ' ' HIS . 1.8 mp -53.46 -170.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 0.769 . . . . 10.0 109.278 -179.957 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 40' ' ' GLU . 39.0 p -136.3 145.62 45.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.09 . . . . 10.0 110.396 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.675 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 10.0 pt-20 -37.76 128.03 1.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 10.0 110.283 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.423 ' O ' ' HA ' ' A' ' 88' ' ' THR . . . 151.45 -128.93 2.7 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.499 1.124 . . . . 10.0 111.012 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.476 HD22 ' HB1' ' A' ' 123' ' ' ALA . 1.6 mp -96.42 177.29 5.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 0.759 . . . . 10.0 109.276 -179.954 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.991 ' CE1' HD22 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -153.33 113.96 4.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 10.0 109.619 179.954 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.592 ' HA3' ' CE1' ' A' ' 120' ' ' HIS . . . -62.2 101.28 0.36 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.469 1.106 . . . . 10.0 110.976 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.411 ' O ' ' OD1' ' A' ' 83' ' ' ASP . 30.9 t80 -81.68 61.72 5.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 0.76 . . . . 10.0 110.999 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.464 ' O ' HG23 ' A' ' 47' ' ' VAL . 22.3 m170 -60.48 174.91 0.5 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.15 . . . . 10.0 109.548 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.708 ' O ' HG12 ' A' ' 47' ' ' VAL . 47.7 t -154.25 60.29 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 10.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.646 ' ND1' HG22 ' A' ' 116' ' ' THR . 0.1 OUTLIER 74.22 168.82 0.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 10.0 109.604 179.99 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.608 ' HA ' ' CD1' ' A' ' 64' ' ' PHE . 5.4 pt-20 -162.06 179.34 8.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 10.0 110.344 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -65.21 151.61 45.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 10.0 110.288 -179.989 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 82.1 mt-10 -131.96 -72.01 0.54 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 10.0 110.248 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.498 ' O ' ' CB ' ' A' ' 53' ' ' ASN . 6.4 t0 73.42 45.33 0.27 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 10.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.498 ' CB ' ' O ' ' A' ' 52' ' ' ASP . 1.7 t-20 82.06 42.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 10.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -97.8 -39.22 9.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 10.0 110.407 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 64.03 115.27 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 10.0 109.276 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -115.09 -42.47 0.77 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.491 1.119 . . . . 10.0 111.004 179.987 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 1.437 ' SG ' ' SG ' ' A' ' 146' ' ' CYS . 1.8 m -153.8 -54.59 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.312 -0.995 . . . . 10.0 108.312 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 37.5 p -134.27 -49.75 0.8 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 10.0 110.423 179.985 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.7 m 65.65 93.15 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 10.0 110.004 179.981 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -125.37 -64.23 1.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 10.0 109.314 -179.97 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -143.01 89.22 0.17 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.462 1.101 . . . . 10.0 111.015 179.991 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 137.11 21.46 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.465 1.771 . . . . 10.0 111.004 179.989 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -85.33 -70.72 0.57 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 10.0 109.599 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.608 ' CD1' ' HA ' ' A' ' 49' ' ' GLU . 6.1 t80 50.77 177.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 10.0 111.017 -179.981 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.504 ' HA ' ' CG1' ' A' ' 81' ' ' VAL . 8.0 p-10 -111.86 105.38 56.53 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.117 . . . . 10.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.675 ' HD2' HG11 ' A' ' 81' ' ' VAL . 18.3 Cg_endo -75.0 -18.2 18.92 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.563 1.823 . . . . 10.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.629 HD11 ' HG2' ' A' ' 69' ' ' ARG . 0.1 OUTLIER -94.43 -29.77 14.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 10.0 109.283 -179.995 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.435 ' C ' ' N ' ' A' ' 70' ' ' LYS . 90.3 p 53.07 63.92 2.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 10.0 110.036 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.629 ' HG2' HD11 ' A' ' 67' ' ' LEU . 0.6 OUTLIER -42.45 -26.15 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 10.0 110.329 179.992 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.49 ' O ' ' C ' ' A' ' 71' ' ' HIS . 18.5 mtmt 54.94 -174.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 10.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.49 ' C ' ' O ' ' A' ' 70' ' ' LYS . 1.8 p-80 -32.65 138.4 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.138 . . . . 10.0 109.613 -179.96 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -163.51 -51.33 0.02 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.472 1.107 . . . . 10.0 111.002 -179.944 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 177.91 -123.14 0.86 Allowed Glycine 0 CA--C 1.53 1.031 0 N-CA-C 111.017 -0.833 . . . . 10.0 111.017 179.967 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.519 ' O ' HD22 ' A' ' 126' ' ' LEU . 18.3 Cg_endo -75.02 -72.1 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.481 1.779 . . . . 10.0 111.001 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.487 ' CB ' ' O ' ' A' ' 84' ' ' LEU . 0.0 OUTLIER -98.33 11.85 36.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 10.0 109.304 179.989 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.415 ' O ' ' O ' ' A' ' 70' ' ' LYS . 3.6 m-20 -116.76 10.88 14.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 10.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.511 ' O ' ' CB ' ' A' ' 78' ' ' GLU . 0.5 OUTLIER -88.33 5.71 40.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 10.0 110.295 179.99 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.511 ' CB ' ' O ' ' A' ' 77' ' ' GLU . 15.2 tt0 159.52 147.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 10.0 110.271 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.461 ' C ' ' O ' ' A' ' 78' ' ' GLU . 38.4 mtt180 34.31 77.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 10.0 110.339 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.522 ' CG ' ' HD2' ' A' ' 69' ' ' ARG . 0.1 OUTLIER -95.74 -21.77 17.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 10.0 109.606 -179.971 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.675 HG11 ' HD2' ' A' ' 66' ' ' PRO . 13.3 p -88.41 0.77 7.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.426 1.078 . . . . 10.0 109.33 179.964 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -142.64 -83.75 0.07 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.422 1.076 . . . . 10.0 111.028 179.978 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.484 ' OD1' ' N ' ' A' ' 84' ' ' LEU . 17.5 t0 -48.85 159.48 0.24 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 0.741 . . . . 10.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.487 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 0.3 OUTLIER -107.88 -75.01 0.64 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 10.0 109.34 -179.994 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -155.23 -114.96 0.52 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.53 1.143 . . . . 10.0 110.982 -179.993 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.429 ' N ' ' OD1' ' A' ' 86' ' ' ASN . 0.6 OUTLIER -146.26 157.7 43.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 0.735 . . . . 10.0 109.273 -179.964 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.588 HG12 ' H ' ' A' ' 88' ' ' THR . 9.8 t -111.22 173.17 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.095 . . . . 10.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.588 ' H ' HG12 ' A' ' 87' ' ' VAL . 1.6 m -120.04 137.2 54.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 10.0 110.439 179.953 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.675 ' HB3' ' HA ' ' A' ' 40' ' ' GLU . . . -86.94 175.82 7.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 10.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.454 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 14.2 t0 -82.55 -98.0 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 10.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.454 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 22.2 pttt -137.63 10.37 2.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 10.0 109.32 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -153.29 23.14 0.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 10.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.489 ' C ' ' HB1' ' A' ' 89' ' ' ALA . . . 93.21 -35.54 4.07 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.52 1.137 . . . . 10.0 111.007 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.518 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 20.4 t -39.89 104.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.476 0.75 . . . . 10.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -111.24 119.09 37.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 10.0 109.275 179.995 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.435 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 6.7 p-10 -112.08 149.58 31.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 10.0 109.311 179.962 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.421 HG13 ' N ' ' A' ' 98' ' ' SER . 0.8 OUTLIER -125.46 161.78 29.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 10.0 109.309 -179.973 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.421 ' N ' HG13 ' A' ' 97' ' ' VAL . 29.9 p -169.7 93.91 0.26 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 10.0 109.99 -179.982 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.42 HG22 ' OD1' ' A' ' 101' ' ' ASP . 1.3 mp -125.36 150.43 30.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 10.0 109.32 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.473 ' CG ' ' HG2' ' A' ' 30' ' ' LYS . 0.2 OUTLIER -124.96 86.42 2.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 10.0 110.291 -179.987 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.42 ' OD1' HG22 ' A' ' 99' ' ' ILE . 36.2 m-20 -105.7 144.71 32.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 10.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 89.1 p -118.78 -43.26 2.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 10.0 110.021 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 25.1 t -43.8 -48.49 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 10.0 109.313 179.951 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.763 ' C ' HD12 ' A' ' 104' ' ' ILE . 1.7 pp -63.55 177.23 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 10.0 109.255 -179.953 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.43 167.24 23.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 10.0 110.04 180.0 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 1.037 HD23 HD11 ' A' ' 113' ' ' ILE . 9.1 mp -95.06 -34.19 12.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 10.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -144.57 78.59 1.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 10.0 109.993 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -156.58 -105.06 0.22 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.552 1.157 . . . . 10.0 111.026 -179.99 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -109.15 -25.67 10.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 0.782 . . . . 10.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.549 ' ND1' HG22 ' A' ' 104' ' ' ILE . 6.3 m-70 -94.21 -55.99 3.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 10.0 109.613 -179.988 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 31.1 t 43.03 78.48 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 10.0 110.006 179.957 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -85.64 5.33 2.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 10.0 109.281 -179.948 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 1.037 HD11 HD23 ' A' ' 106' ' ' LEU . 7.5 mm -57.58 122.01 6.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 10.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.442 ' O ' ' ND1' ' A' ' 48' ' ' HIS . . . 104.01 27.95 6.07 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.499 1.124 . . . . 10.0 110.994 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -85.78 60.51 6.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 0.772 . . . . 10.0 110.302 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.677 ' HB ' HG22 ' A' ' 148' ' ' VAL . 9.1 t -57.17 119.85 7.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 10.0 110.394 -179.96 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.462 ' CD2' HG13 ' A' ' 119' ' ' VAL . 1.4 tp -88.46 99.11 12.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 10.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 1.024 HG12 ' O ' ' A' ' 145' ' ' ALA . 12.3 m -102.14 65.52 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 10.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.462 HG13 ' CD2' ' A' ' 117' ' ' LEU . 17.2 m -49.47 152.85 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 10.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.614 ' CD2' ' O ' ' A' ' 122' ' ' LYS . 0.8 OUTLIER -97.29 164.86 12.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 10.0 109.629 179.978 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -90.26 43.34 1.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 10.0 110.273 -179.97 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.614 ' O ' ' CD2' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -171.31 -165.11 0.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 10.0 109.315 179.992 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.476 ' HB1' HD22 ' A' ' 42' ' ' LEU . . . -111.87 -179.43 3.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 10.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.404 ' HA ' ' O ' ' A' ' 138' ' ' GLY . 0.3 OUTLIER -127.96 96.24 4.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 10.0 109.319 180.0 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.49 -9.82 58.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 10.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.519 HD22 ' O ' ' A' ' 74' ' ' PRO . 9.0 mt 43.88 46.98 6.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 10.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -136.63 -130.52 2.9 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.514 1.134 . . . . 10.0 110.991 -179.963 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 130' ' ' GLY . 2.8 mtmt -129.73 -84.09 0.55 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 0.769 . . . . 10.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 67.47 -58.17 0.3 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.519 1.137 . . . . 10.0 111.007 -179.99 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 130' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 128' ' ' LYS . . . -107.68 -149.87 15.48 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.996 -0.842 . . . . 10.0 110.996 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 -155.86 132.79 10.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 0.757 . . . . 10.0 109.335 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 76.92 18.06 1.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 10.0 110.292 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 133' ' ' GLN . . . . . 0.448 ' O ' ' HG3' ' A' ' 136' ' ' LYS . 0.0 OUTLIER -141.39 -68.29 0.39 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 10.0 110.357 179.99 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 134' ' ' SER . . . . . 0.444 ' CB ' ' O ' ' A' ' 128' ' ' LYS . 0.9 OUTLIER -75.96 -14.36 60.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 10.0 110.006 179.993 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 75.8 p -79.76 -19.63 48.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 10.0 110.395 179.978 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' A' ' 133' ' ' GLN . 3.8 ptpt -112.26 -24.05 10.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.097 . . . . 10.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 137' ' ' THR . . . . . 0.564 ' OG1' ' N ' ' A' ' 138' ' ' GLY . 31.0 p -121.97 -86.92 0.65 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 10.0 110.413 179.966 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 138' ' ' GLY . . . . . 0.564 ' N ' ' OG1' ' A' ' 137' ' ' THR . . . 146.91 44.14 0.04 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.484 1.115 . . . . 10.0 111.0 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 2.3 t30 69.83 12.1 7.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 0.795 . . . . 10.0 109.351 -179.957 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.495 ' HB1' ' ND1' ' A' ' 120' ' ' HIS . . . -41.84 -72.9 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 10.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 140.35 -115.04 1.02 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.545 1.153 . . . . 10.0 110.996 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.51 137.97 40.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 0.769 . . . . 10.0 109.998 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 143' ' ' ARG . . . . . 0.431 ' HG2' ' N ' ' A' ' 144' ' ' LEU . 2.6 ttp180 -67.95 135.57 52.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 10.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.431 ' N ' ' HG2' ' A' ' 143' ' ' ARG . 3.4 pp -153.09 171.89 17.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 10.0 109.302 -179.942 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 145' ' ' ALA . . . . . 1.024 ' O ' HG12 ' A' ' 118' ' ' VAL . . . 63.84 163.19 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 10.0 109.325 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 146' ' ' CYS . . . . . 1.437 ' SG ' ' SG ' ' A' ' 57' ' ' CYS . 28.6 p -156.02 69.98 0.67 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 10.0 108.341 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 147' ' ' GLY . . . . . 0.687 ' O ' ' HB1' ' A' ' 6' ' ' ALA . . . -83.27 55.71 5.04 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.556 1.16 . . . . 10.0 110.98 -179.973 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.677 HG22 ' HB ' ' A' ' 116' ' ' THR . 69.6 t -53.12 129.02 13.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 0.763 . . . . 10.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 149' ' ' ILE . . . . . 0.546 HD13 ' HB2' ' A' ' 6' ' ' ALA . 19.4 mm -83.58 107.52 15.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 10.0 109.261 -179.96 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -130.24 136.89 9.15 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.489 1.118 . . . . 10.0 111.028 179.99 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 151' ' ' ILE . . . . . 0.439 HD13 ' HA ' ' A' ' 151' ' ' ILE . 25.1 mm -51.86 146.02 2.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.552 0.795 . . . . 10.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 152' ' ' ALA . . . . . 0.423 ' HB3' HG23 ' A' ' 5' ' ' VAL . . . -139.28 173.33 11.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 10.0 109.289 -179.941 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.167 . . . . 10.0 110.281 -179.986 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.292 -0.633 . . . . 10.0 109.292 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.574 HG23 ' CD1' ' A' ' 151' ' ' ILE . 0.5 OUTLIER -139.09 112.63 8.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 10.0 110.421 179.975 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.9 tmmt? -102.34 106.12 16.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 10.0 109.288 179.994 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.962 ' HB3' ' HB2' ' A' ' 20' ' ' PHE . . . -84.18 175.23 9.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.123 . . . . 10.0 109.315 179.949 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.2 t -143.71 156.83 16.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 10.0 109.278 -180.0 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.845 ' HB3' HG13 ' A' ' 18' ' ' ILE . . . -153.02 93.7 1.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 10.0 109.336 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.752 HG23 HG12 ' A' ' 17' ' ' ILE . 8.2 p -82.39 91.92 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 10.0 109.297 -179.957 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.525 HD13 ' H ' ' A' ' 147' ' ' GLY . 2.2 mm? -39.57 126.45 1.86 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 10.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.29 -63.28 1.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 10.0 109.305 179.97 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 65.0 114.79 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.424 1.077 . . . . 10.0 111.013 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -50.07 -22.28 1.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 0.785 . . . . 10.0 109.332 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.498 ' N ' ' CD ' ' A' ' 13' ' ' PRO . . . 164.56 -50.99 0.29 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.48 1.113 . . . . 10.0 111.02 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.498 ' CD ' ' N ' ' A' ' 12' ' ' GLY . 18.3 Cg_endo -75.0 8.29 2.48 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.467 1.772 . . . . 10.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.2 t -138.14 151.3 25.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 10.0 109.311 -179.98 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.08 42.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 10.0 110.269 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.5 ' CA ' ' HA ' ' A' ' 35' ' ' ILE . . . -69.29 168.03 45.93 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.47 1.106 . . . . 10.0 111.043 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.752 HG12 HG23 ' A' ' 7' ' ' VAL . 57.6 mt -142.33 107.87 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.524 0.779 . . . . 10.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.845 HG13 ' HB3' ' A' ' 6' ' ' ALA . 0.7 OUTLIER -97.27 160.15 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 10.0 109.307 179.983 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.645 ' N ' HD12 ' A' ' 18' ' ' ILE . 0.2 OUTLIER -142.69 121.44 12.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 10.0 109.281 179.994 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.962 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 1.9 m-30 -95.82 102.41 14.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 10.0 110.99 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -108.14 119.58 39.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 10.0 110.292 -179.984 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -117.11 79.39 1.33 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 10.0 110.285 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.2 mttm -74.07 60.24 0.77 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 10.0 109.265 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.498 ' O ' ' CB ' ' A' ' 25' ' ' SER . 0.0 OUTLIER -154.86 -54.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 10.0 110.287 179.97 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 2.6 t 84.92 -9.87 0.84 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 10.0 109.994 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -157.33 25.95 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 10.0 109.333 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -133.64 -150.47 6.29 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.489 1.118 . . . . 10.0 110.987 -179.997 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.5 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 18.2 Cg_endo -75.03 170.49 20.3 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.481 1.78 . . . . 10.0 110.971 -179.964 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 27.7 t -115.75 119.19 61.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 10.0 109.333 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.9 mttm -74.37 93.44 2.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 10.0 109.316 179.977 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.761 HG22 ' CE1' ' A' ' 20' ' ' PHE . 40.8 t -84.65 133.31 29.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 10.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.472 ' CD1' ' N ' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -167.03 162.68 15.65 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.015 -1.106 . . . . 10.0 108.015 -179.992 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.472 ' N ' ' CD1' ' A' ' 32' ' ' TRP . . . 173.86 -164.61 36.09 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.523 1.139 . . . . 10.0 111.002 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -155.87 121.93 5.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 0.743 . . . . 10.0 110.066 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.942 HG21 HD13 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -83.54 165.14 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 10.0 109.323 -179.971 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.489 ' N ' HG23 ' A' ' 35' ' ' ILE . 36.5 mttt -152.02 118.5 5.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 10.0 109.265 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.466 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 124.95 -38.98 2.19 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.525 1.141 . . . . 10.0 111.019 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.942 HD13 HG21 ' A' ' 35' ' ' ILE . 0.2 OUTLIER -52.8 -169.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 0.77 . . . . 10.0 109.295 179.995 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 27.6 p -137.32 149.91 47.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 10.0 110.401 179.965 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.837 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 0.2 OUTLIER -51.33 112.25 0.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 10.0 110.275 179.999 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.446 ' O ' ' NE2' ' A' ' 43' ' ' HIS . . . 160.17 167.67 21.06 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.492 1.12 . . . . 10.0 111.044 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.3 mt -71.44 151.42 44.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.445 0.732 . . . . 10.0 109.326 -179.992 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.549 ' HE1' ' HB2' ' A' ' 89' ' ' ALA . 5.5 m80 -138.01 168.96 18.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 10.0 109.551 -179.938 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.481 ' CA ' ' HB2' ' A' ' 120' ' ' HIS . . . -83.43 -172.65 49.0 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.554 1.159 . . . . 10.0 111.023 179.958 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.807 ' CE1' ' CE1' ' A' ' 80' ' ' HIS . 26.2 m-85 -78.51 173.66 12.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 0.778 . . . . 10.0 111.01 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.484 ' CE1' ' CD1' ' A' ' 117' ' ' LEU . 0.0 OUTLIER -145.78 66.63 1.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 10.0 109.593 -179.999 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 43.0 t -123.65 113.51 37.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 10.0 109.266 -179.994 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.547 ' ND1' ' CG1' ' A' ' 118' ' ' VAL . 17.9 m80 -142.06 60.26 1.46 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 10.0 109.627 179.955 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -40.19 97.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 10.0 110.297 -179.966 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 48' ' ' HIS . 4.0 tm-20 -159.54 137.48 10.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 10.0 110.273 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -132.02 -60.85 0.9 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 10.0 110.311 179.977 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 66.17 177.37 0.22 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 10.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -99.03 -7.52 26.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 10.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.605 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 12.2 t -112.44 -50.56 2.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 10.0 110.366 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.605 ' HB3' ' O ' ' A' ' 54' ' ' THR . . . 78.28 117.94 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 10.0 109.318 -179.977 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -172.97 43.37 0.16 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.496 1.123 . . . . 10.0 110.995 179.978 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 1.017 ' SG ' ' SG ' ' A' ' 146' ' ' CYS . 0.1 OUTLIER 47.77 72.03 0.29 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.3 -1.0 . . . . 10.0 108.3 179.999 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 10.5 p -128.77 -143.19 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 10.0 110.383 -179.994 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 61' ' ' GLY . 55.4 m -114.76 -64.39 1.32 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 10.0 109.994 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' A' ' 59' ' ' SER . . . 66.57 -72.76 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 10.0 109.29 179.975 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 59' ' ' SER . . . -147.37 97.01 0.18 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.488 1.118 . . . . 10.0 110.945 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 116.36 4.56 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.493 1.786 . . . . 10.0 110.996 179.979 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 8.3 m80 -112.0 -66.55 1.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 10.0 109.641 179.993 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 51.09 -166.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 10.0 111.026 179.964 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -84.5 120.77 74.64 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 10.0 109.356 179.971 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 85.74 1.5 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.543 1.812 . . . . 10.0 111.017 -179.992 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.518 HD13 ' HD3' ' A' ' 79' ' ' ARG . 1.0 OUTLIER -176.62 -51.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 10.0 109.283 179.964 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.486 ' O ' ' HB2' ' A' ' 69' ' ' ARG . 2.2 t 39.06 -96.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 10.0 110.037 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.486 ' HB2' ' O ' ' A' ' 68' ' ' SER . 5.7 mmt180 68.65 -65.36 0.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 10.0 110.295 180.0 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 68' ' ' SER . 0.8 OUTLIER -175.49 165.57 3.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.102 . . . . 10.0 109.307 179.988 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.597 ' CG ' ' N ' ' A' ' 72' ' ' GLY . 8.9 t60 -87.69 171.1 10.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 10.0 109.587 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.597 ' N ' ' CG ' ' A' ' 71' ' ' HIS . . . -154.43 -86.24 0.05 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.463 1.102 . . . . 10.0 110.985 -179.973 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -151.49 -116.03 0.7 Allowed Glycine 0 CA--C 1.531 1.051 0 N-CA-C 110.96 -0.856 . . . . 10.0 110.96 -179.979 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.532 ' O ' ' C ' ' A' ' 75' ' ' LYS . 18.2 Cg_endo -74.97 46.66 1.57 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.522 1.801 . . . . 10.0 110.977 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.532 ' C ' ' O ' ' A' ' 74' ' ' PRO . 0.0 OUTLIER 29.4 62.02 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 10.0 109.312 179.994 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -95.91 -65.12 0.99 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 10.0 109.324 179.975 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -112.37 9.83 19.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 10.0 110.27 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.434 ' HG3' ' N ' ' A' ' 72' ' ' GLY . 14.4 pm0 -124.54 178.47 5.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 10.0 110.274 -179.973 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.518 ' HD3' HD13 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -147.39 108.98 4.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 10.0 110.243 179.989 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.807 ' CE1' ' CE1' ' A' ' 45' ' ' PHE . 6.7 p80 -84.48 47.67 1.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 10.0 109.565 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.673 HG22 ' O ' ' A' ' 81' ' ' VAL . 5.2 p 40.54 34.49 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 10.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.482 ' O ' ' C ' ' A' ' 83' ' ' ASP . . . 171.19 40.87 0.03 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.53 1.144 . . . . 10.0 110.999 180.0 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.482 ' C ' ' O ' ' A' ' 82' ' ' GLY . 1.1 m-20 -34.51 127.9 0.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 0.793 . . . . 10.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.3 tt -173.39 -50.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 10.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 118.43 163.53 12.63 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.499 1.124 . . . . 10.0 111.018 -179.997 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -85.24 130.08 34.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 0.729 . . . . 10.0 109.266 -179.939 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 16.4 m -98.53 144.46 11.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 10.0 109.28 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 59.9 m -123.94 152.77 42.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.095 . . . . 10.0 110.434 179.989 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.837 ' HB3' ' HA ' ' A' ' 40' ' ' GLU . . . -84.92 163.03 19.22 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.546 1.154 . . . . 10.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.435 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 11.0 t0 -79.03 -96.14 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 10.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.435 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 2.6 pttt -136.2 9.32 3.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 10.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -153.81 24.83 0.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 10.0 109.318 -179.975 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.603 ' CA ' ' HB1' ' A' ' 89' ' ' ALA . . . 91.32 -35.39 3.95 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.524 1.14 . . . . 10.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.482 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 21.5 t -39.76 98.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.487 0.757 . . . . 10.0 109.276 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.463 ' HB3' ' HB ' ' A' ' 35' ' ' ILE . . . -104.18 115.29 30.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 10.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -107.84 143.63 36.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 10.0 109.323 -179.997 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.552 ' CG1' HD12 ' A' ' 99' ' ' ILE . 38.6 t -115.34 164.58 11.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 10.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.462 ' N ' HG12 ' A' ' 97' ' ' VAL . 31.2 t -173.07 86.34 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 10.0 109.994 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.552 HD12 ' CG1' ' A' ' 97' ' ' VAL . 3.7 mt -133.21 166.35 29.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 10.0 109.262 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.521 ' N ' HG22 ' A' ' 99' ' ' ILE . 35.9 tt0 -134.7 98.24 4.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 10.0 110.271 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.5 ' O ' ' CB ' ' A' ' 28' ' ' PRO . 1.1 t70 -92.28 142.64 27.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 10.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 45.2 p -119.5 -41.66 2.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 10.0 109.964 -179.994 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 40.5 t -48.38 -24.33 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 10.0 109.327 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.997 HD13 HD13 ' A' ' 112' ' ' ILE . 1.9 pp -114.66 156.89 15.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 10.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 10.7 t -148.88 160.44 43.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 10.0 109.996 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.563 HD22 HD11 ' A' ' 113' ' ' ILE . 3.0 mt -68.07 -24.19 65.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 10.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -136.88 175.07 9.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 10.0 110.017 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 101.47 -142.4 15.69 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.547 1.154 . . . . 10.0 110.98 179.992 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -94.0 30.49 1.85 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 0.794 . . . . 10.0 109.257 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 70.1 m80 -131.5 -61.37 0.91 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.138 . . . . 10.0 109.588 179.969 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 15.1 t 52.56 84.96 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 10.0 110.005 179.986 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.997 HD13 HD13 ' A' ' 104' ' ' ILE . 12.7 pt -92.47 -4.46 10.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 10.0 109.341 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.563 HD11 HD22 ' A' ' 106' ' ' LEU . 18.4 mm -62.13 101.97 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 10.0 109.255 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 127.31 39.09 0.39 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.495 1.122 . . . . 10.0 110.989 179.983 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.608 ' O ' HD23 ' A' ' 117' ' ' LEU . 5.5 mtp180 -84.61 101.89 12.49 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.526 0.78 . . . . 10.0 110.301 179.996 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.654 HG23 ' HB3' ' A' ' 146' ' ' CYS . 93.9 m -71.16 62.78 0.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 10.0 110.373 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.608 HD23 ' O ' ' A' ' 115' ' ' ARG . 0.7 OUTLIER -41.77 111.62 0.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.158 . . . . 10.0 109.311 179.962 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.547 ' CG1' ' ND1' ' A' ' 48' ' ' HIS . 2.8 p -128.24 105.03 12.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 10.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.636 HG11 HD11 ' A' ' 38' ' ' LEU . 20.8 t -56.54 147.71 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 10.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.481 ' HB2' ' CA ' ' A' ' 44' ' ' GLY . 0.5 OUTLIER -85.01 140.59 30.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 10.0 109.546 -179.936 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.7 -49.9 67.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.099 . . . . 10.0 110.293 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -124.4 -163.65 1.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 10.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -107.24 152.08 24.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 10.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -75.72 -4.52 40.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 10.0 109.296 180.0 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 13.2 t0 55.4 31.14 16.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 10.0 109.256 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 9.1 mt 53.61 20.52 2.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 10.0 109.291 179.982 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 100.18 119.96 4.44 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.533 1.146 . . . . 10.0 111.043 -179.94 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.35 -24.23 15.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 0.781 . . . . 10.0 109.347 179.983 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 89.63 38.36 6.61 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 10.0 110.981 179.973 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -83.05 -146.21 6.37 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.063 -0.815 . . . . 10.0 111.063 179.966 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 65.4 m-80 -151.06 134.5 16.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 0.751 . . . . 10.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 51.19 22.62 1.37 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.561 1.163 . . . . 10.0 110.311 179.989 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -138.09 -72.12 0.42 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 10.0 110.281 -180.0 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 10.8 m -78.67 -26.14 44.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 10.0 110.004 -179.986 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 71.6 p -72.48 -6.28 42.65 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.478 1.111 . . . . 10.0 110.384 -179.982 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 16.8 mtmt -120.09 -43.62 2.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 10.0 109.301 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 41.7 p -127.64 -92.37 0.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 10.0 110.377 -179.999 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 177.37 39.84 0.06 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.506 1.129 . . . . 10.0 110.995 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 1.9 t30 44.84 34.94 1.31 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 0.771 . . . . 10.0 109.267 179.992 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -152.19 24.66 0.63 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 10.0 109.312 -179.979 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -83.51 94.75 1.82 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.472 1.108 . . . . 10.0 110.978 -179.979 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 142' ' ' SER . . . . . 0.428 ' O ' HD23 ' A' ' 144' ' ' LEU . 0.6 OUTLIER -150.15 93.1 1.96 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 0.749 . . . . 10.0 110.044 179.952 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 143' ' ' ARG . . . . . 0.401 ' O ' ' O ' ' A' ' 142' ' ' SER . 0.5 OUTLIER -44.82 169.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 10.0 110.248 -179.941 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.602 HD11 ' HB ' ' A' ' 119' ' ' VAL . 0.4 OUTLIER -168.51 -58.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 10.0 109.302 179.978 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 145' ' ' ALA . . . . . 0.409 ' N ' HD12 ' A' ' 144' ' ' LEU . . . -107.1 168.57 9.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 10.0 109.339 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 146' ' ' CYS . . . . . 1.017 ' SG ' ' SG ' ' A' ' 57' ' ' CYS . 68.5 m -155.17 66.47 0.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 10.0 108.29 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 147' ' ' GLY . . . . . 0.525 ' H ' HD13 ' A' ' 8' ' ' LEU . . . -45.98 -51.81 10.58 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.49 1.119 . . . . 10.0 111.001 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.463 HG23 HG23 ' A' ' 116' ' ' THR . 2.8 t 66.09 136.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.55 0.794 . . . . 10.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 149' ' ' ILE . . . . . 0.472 ' CG1' ' HB2' ' A' ' 115' ' ' ARG . 5.0 mm -81.24 136.74 22.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 10.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -144.29 99.46 0.22 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.514 1.134 . . . . 10.0 111.003 179.97 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 151' ' ' ILE . . . . . 0.574 ' CD1' HG23 ' A' ' 2' ' ' THR . 17.2 mm -40.05 138.3 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.471 0.747 . . . . 10.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -126.57 175.25 8.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 10.0 109.312 179.978 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.145 . . . . 10.0 110.292 -179.986 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.0 p . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.365 -0.235 . . . . 10.0 110.365 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.1 tttp -111.56 88.32 2.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 10.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.945 ' HB3' ' HB2' ' A' ' 20' ' ' PHE . . . -84.85 164.68 18.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 10.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.6 HG23 ' HB3' ' A' ' 152' ' ' ALA . 2.1 t -144.39 155.53 15.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 10.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.576 ' HB3' HG23 ' A' ' 18' ' ' ILE . . . -155.47 93.45 1.49 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 10.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 58.4 t -81.6 99.58 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 10.0 109.278 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.586 HD12 ' CB ' ' A' ' 145' ' ' ALA . 3.6 mm? -46.24 145.34 1.69 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 10.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 17.7 tttt -178.29 136.1 0.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 10.0 109.286 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 11' ' ' ASP . . . 171.55 -95.08 0.1 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.532 1.145 . . . . 10.0 110.964 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 10' ' ' GLY . 53.0 t0 -38.44 -46.04 1.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 0.73 . . . . 10.0 109.266 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 143.95 -60.96 0.51 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.535 1.147 . . . . 10.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -39.05 1.32 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.475 1.776 . . . . 10.0 111.009 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 40.2 t -60.04 92.78 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 10.0 109.276 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -120.5 35.57 4.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 10.0 110.28 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.517 ' CA ' ' HB2' ' A' ' 8' ' ' LEU . . . -45.55 168.93 0.03 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.546 1.153 . . . . 10.0 111.021 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 57.7 mt -142.16 103.6 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.435 0.726 . . . . 10.0 109.323 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 1.069 HD12 ' N ' ' A' ' 19' ' ' ASN . 0.0 OUTLIER -115.41 128.66 72.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 10.0 109.266 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 1.069 ' N ' HD12 ' A' ' 18' ' ' ILE . 0.1 OUTLIER -123.79 145.89 48.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 10.0 109.31 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.945 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 5.3 m-85 -114.73 111.86 21.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 10.0 110.975 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -115.11 140.23 49.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 10.0 110.332 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.645 ' HG3' HG22 ' A' ' 29' ' ' VAL . 2.2 tt0 -142.21 62.35 1.43 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 10.0 110.314 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.3 mttt -75.08 59.83 0.98 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 10.0 109.287 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -154.5 139.17 16.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 10.0 110.307 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.3 m -87.32 -12.25 47.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 10.0 109.965 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -152.97 34.31 0.48 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 10.0 109.28 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -123.26 167.9 15.5 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.479 1.112 . . . . 10.0 111.018 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.406 ' HB3' ' N ' ' A' ' 102' ' ' SER . 18.2 Cg_endo -74.98 168.92 23.76 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.516 1.798 . . . . 10.0 111.023 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.645 HG22 ' HG3' ' A' ' 22' ' ' GLN . 37.5 t -89.98 113.56 26.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 10.0 109.268 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.405 ' O ' ' CE3' ' A' ' 32' ' ' TRP . 0.1 OUTLIER -68.85 97.58 0.85 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 10.0 109.291 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.463 HG22 ' CD2' ' A' ' 20' ' ' PHE . 54.4 t -94.94 124.69 47.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 10.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.418 ' HA ' ' O ' ' A' ' 97' ' ' VAL . 8.0 p90 -159.06 143.2 15.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 10.0 107.982 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.419 ' O ' ' HA ' ' A' ' 96' ' ' ASP . . . -157.23 -168.81 20.3 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.513 1.133 . . . . 10.0 110.982 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 74.0 m -157.0 122.83 4.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 0.772 . . . . 10.0 109.989 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.508 HG21 HD13 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -83.0 164.8 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 10.0 109.313 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.488 ' N ' HG23 ' A' ' 35' ' ' ILE . 16.9 mttt -155.8 105.74 2.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 10.0 109.308 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.455 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 144.04 -45.51 0.87 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.535 1.147 . . . . 10.0 110.966 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.625 HD22 ' CG ' ' A' ' 43' ' ' HIS . 0.6 OUTLIER -52.67 -170.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 0.799 . . . . 10.0 109.32 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.461 ' O ' ' N ' ' A' ' 41' ' ' GLY . 12.1 p -139.57 144.21 37.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 10.0 110.357 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.662 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 10.0 tt0 -40.42 95.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 10.0 110.277 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 39' ' ' THR . . . -177.48 -160.34 24.03 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.507 1.129 . . . . 10.0 111.018 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.461 HD12 ' C ' ' A' ' 41' ' ' GLY . 5.4 mp -104.79 136.4 44.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 0.769 . . . . 10.0 109.322 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.677 ' NE2' HG23 ' A' ' 87' ' ' VAL . 1.5 p80 -139.46 125.71 20.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 10.0 109.582 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.429 ' HA3' ' CG ' ' A' ' 120' ' ' HIS . . . -37.83 153.99 0.02 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.481 1.113 . . . . 10.0 110.987 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.477 ' CE2' HG12 ' A' ' 87' ' ' VAL . 0.2 OUTLIER -83.68 157.36 22.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 0.724 . . . . 10.0 110.985 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.649 ' CG ' HG23 ' A' ' 47' ' ' VAL . 0.1 OUTLIER -59.76 173.2 0.6 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 10.0 109.602 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.649 HG23 ' CG ' ' A' ' 46' ' ' HIS . 57.3 t 65.24 77.63 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 10.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.436 ' ND1' ' O ' ' A' ' 45' ' ' PHE . 55.2 m80 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 10.0 109.593 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.031 0 N-CA-C 111.005 -0.838 . . . . 10.0 111.005 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -123.74 89.06 3.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 0.791 . . . . 10.0 109.325 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -93.28 -73.09 0.57 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.105 . . . . 10.0 109.336 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -177.37 -87.62 0.07 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.476 1.11 . . . . 10.0 110.999 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -148.09 161.47 41.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 0.778 . . . . 10.0 109.325 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.677 HG23 ' NE2' ' A' ' 43' ' ' HIS . 5.1 m -117.58 -156.57 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 10.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.462 ' N ' HG23 ' A' ' 87' ' ' VAL . 0.7 OUTLIER -155.05 144.04 20.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.428 1.08 . . . . 10.0 110.392 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.662 ' HB3' ' HA ' ' A' ' 40' ' ' GLU . . . -85.37 175.11 9.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 10.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.431 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 9.1 t70 -82.96 -97.59 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 10.0 109.328 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.431 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 18.1 mtmt -136.25 9.61 3.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 10.0 109.362 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -153.41 23.2 0.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.165 . . . . 10.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.569 ' CA ' ' HB1' ' A' ' 89' ' ' ALA . . . 91.14 -34.29 4.35 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.428 1.08 . . . . 10.0 111.021 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.474 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 19.6 t -39.93 101.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.492 0.76 . . . . 10.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.495 ' HB3' ' HB ' ' A' ' 35' ' ' ILE . . . -104.49 116.4 32.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 10.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.419 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 1.3 t70 -105.09 150.26 25.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 10.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.418 ' O ' ' HA ' ' A' ' 32' ' ' TRP . 76.9 t -127.39 157.73 38.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 10.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 25.4 p -164.44 100.98 0.82 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 10.0 110.004 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.9 mt -144.11 165.52 13.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 10.0 109.307 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -133.5 107.31 7.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 10.0 110.292 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -103.55 128.1 50.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 10.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.406 ' N ' ' HB3' ' A' ' 28' ' ' PRO . 0.0 OUTLIER -111.89 -43.6 3.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 10.0 110.04 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 75.7 t -48.43 -42.14 11.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 10.0 109.345 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.788 HD12 ' C ' ' A' ' 104' ' ' ILE . 1.5 pp -77.8 174.92 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 10.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.42 140.43 15.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.421 1.076 . . . . 10.0 110.027 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.715 HD12 HD11 ' A' ' 113' ' ' ILE . 4.1 mm? -47.31 -45.73 24.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 10.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 12.3 p -143.61 153.18 42.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.429 1.081 . . . . 10.0 110.046 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 131.09 -130.72 6.16 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.486 1.116 . . . . 10.0 111.017 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.8 -42.65 49.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 0.774 . . . . 10.0 109.324 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 40.2 m80 -112.38 63.55 0.63 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 10.0 109.579 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 99.3 p -68.2 110.91 4.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 10.0 109.994 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.568 HD13 HD13 ' A' ' 104' ' ' ILE . 24.7 pt -88.39 -9.77 10.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 10.0 109.25 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.715 HD11 HD12 ' A' ' 106' ' ' LEU . 12.8 mm -64.14 100.38 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.502 1.126 . . . . 10.0 109.232 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 130.23 39.92 0.27 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.51 1.131 . . . . 10.0 110.988 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.432 ' O ' ' N ' ' A' ' 117' ' ' LEU . 14.8 mmm-85 -103.42 94.66 5.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 0.731 . . . . 10.0 110.317 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.814 HG23 ' SG ' ' A' ' 146' ' ' CYS . 57.9 m -58.72 85.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 10.0 110.414 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.541 HD22 HD21 ' A' ' 8' ' ' LEU . 0.7 OUTLIER -67.77 114.16 6.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 10.0 109.323 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.466 HG22 ' N ' ' A' ' 119' ' ' VAL . 2.0 p -135.78 164.59 32.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 10.0 109.304 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.466 ' N ' HG22 ' A' ' 118' ' ' VAL . 11.9 m -116.91 146.34 21.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 10.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.429 ' CG ' ' HA3' ' A' ' 44' ' ' GLY . 10.5 m170 -84.82 141.68 30.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 10.0 109.605 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.615 ' HB2' HD11 ' A' ' 144' ' ' LEU . 1.5 tt0 -94.51 67.89 3.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 10.0 110.35 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.694 ' HB2' ' HB1' ' A' ' 140' ' ' ALA . 0.1 OUTLIER 168.27 177.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 10.0 109.304 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -115.77 115.65 26.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 10.0 109.305 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -64.61 -12.2 43.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 10.0 109.303 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 55.55 32.81 19.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 10.0 109.266 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.8 mt 52.33 22.47 2.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 10.0 109.268 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 129.53 128.93 3.08 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.512 1.132 . . . . 10.0 110.992 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.34 -25.11 31.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 0.771 . . . . 10.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 115.61 -46.0 1.22 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.503 1.127 . . . . 10.0 111.008 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -68.18 -162.51 2.27 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 110.979 -0.848 . . . . 10.0 110.979 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . 0.526 ' O ' ' CB ' ' A' ' 132' ' ' GLU . 14.8 p30 -143.63 147.9 35.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 0.747 . . . . 10.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.526 ' CB ' ' O ' ' A' ' 131' ' ' ASN . 7.0 tt0 88.47 31.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 10.0 110.311 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -159.82 -64.64 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 10.0 110.344 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 2.2 p -82.76 -12.49 57.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 10.0 110.029 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 61.9 p -79.82 -21.27 44.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 10.0 110.368 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.39 -40.24 4.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 10.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 47.0 p -124.04 -105.39 0.36 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 10.0 110.367 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -171.83 40.81 0.17 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.566 1.167 . . . . 10.0 110.966 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' ASN . . . . . 0.459 ' O ' ' HB2' ' A' ' 140' ' ' ALA . 25.9 t30 44.19 64.08 1.42 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 0.764 . . . . 10.0 109.315 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.694 ' HB1' ' HB2' ' A' ' 122' ' ' LYS . . . 177.75 -61.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.117 . . . . 10.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 140' ' ' ALA . . . 35.73 90.08 0.01 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.509 1.131 . . . . 10.0 111.028 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . 0.459 ' CB ' ' HB3' ' A' ' 121' ' ' GLU . 0.6 OUTLIER -130.86 93.0 3.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 0.744 . . . . 10.0 110.012 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . 0.429 ' NH1' ' HB2' ' A' ' 143' ' ' ARG . 13.4 mtp-105 -71.83 138.51 48.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 10.0 110.307 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.615 HD11 ' HB2' ' A' ' 121' ' ' GLU . 9.6 mt -141.94 -70.44 0.35 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 10.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . 0.586 ' CB ' HD12 ' A' ' 8' ' ' LEU . . . -73.84 172.03 12.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 10.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' CYS . . . . . 0.814 ' SG ' HG23 ' A' ' 116' ' ' THR . 5.2 t -156.1 68.88 0.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.117 . . . . 10.0 108.286 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . 0.554 ' O ' ' HB1' ' A' ' 6' ' ' ALA . . . -80.05 68.18 3.31 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.482 1.114 . . . . 10.0 111.003 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.487 HG23 ' SG ' ' A' ' 146' ' ' CYS . 3.0 t -59.88 136.67 23.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.496 0.762 . . . . 10.0 109.319 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 149' ' ' ILE . . . . . 0.539 HG12 ' CD1' ' A' ' 20' ' ' PHE . 3.4 tp -88.46 113.06 24.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 10.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -131.86 148.22 18.97 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.461 1.101 . . . . 10.0 110.987 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 38.7 mm -59.84 144.01 13.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.479 0.753 . . . . 10.0 109.307 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . 0.6 ' HB3' HG23 ' A' ' 5' ' ' VAL . . . -146.19 169.18 19.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 10.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 10.0 110.259 -179.964 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.727 HG23 HD12 ' A' ' 151' ' ' ILE . 2.9 m . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.363 -0.236 . . . . 10.0 110.363 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 60.0 tttt -111.97 136.63 51.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.107 . . . . 10.0 109.293 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.996 ' HB3' ' HB2' ' A' ' 20' ' ' PHE . . . -111.93 158.0 20.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 10.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.685 HG13 HD22 ' A' ' 19' ' ' ASN . 2.0 t -138.01 151.3 25.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 10.0 109.318 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.718 ' HB1' ' O ' ' A' ' 147' ' ' GLY . . . -155.27 90.0 1.24 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.424 1.078 . . . . 10.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 7' ' ' VAL . 28.6 m -81.22 108.16 14.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 10.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.496 HD22 ' HA3' ' A' ' 147' ' ' GLY . 0.2 OUTLIER -52.12 138.96 24.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 10.0 109.346 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.9 tttt -173.0 117.26 0.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 10.0 109.269 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -171.32 -84.39 0.06 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.493 1.121 . . . . 10.0 111.034 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.522 ' HB3' HG12 ' A' ' 14' ' ' VAL . 18.1 t70 -40.39 -42.62 1.62 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 0.748 . . . . 10.0 109.342 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 135.95 -61.43 0.62 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.443 1.09 . . . . 10.0 111.052 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -51.04 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.553 1.817 . . . . 10.0 111.02 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.598 HG23 HD12 ' A' ' 38' ' ' LEU . 14.4 p -53.25 101.49 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 10.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.73 50.31 1.63 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 10.0 110.295 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.489 ' CA ' ' HA ' ' A' ' 35' ' ' ILE . . . -56.71 165.36 5.18 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.466 1.104 . . . . 10.0 110.968 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 30.7 mt -140.47 101.8 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 0.75 . . . . 10.0 109.29 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.798 ' C ' HD13 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -119.48 138.96 48.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 10.0 109.286 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.685 HD22 HG13 ' A' ' 5' ' ' VAL . 0.1 OUTLIER -128.43 169.05 14.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 10.0 109.335 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.996 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 1.8 m-85 -125.89 133.45 51.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 10.0 111.021 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -123.64 124.56 43.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 10.0 110.289 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.582 ' HG3' HG22 ' A' ' 29' ' ' VAL . 1.9 tt0 -155.15 81.04 1.06 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.108 . . . . 10.0 110.287 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.3 mtpt -85.53 48.82 1.65 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 10.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.417 ' HB3' ' N ' ' A' ' 27' ' ' GLY . 6.5 mm-40 -155.39 141.63 18.48 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.117 . . . . 10.0 110.279 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.81 -10.51 59.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 10.0 110.004 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 49.8 p30 -154.61 33.42 0.41 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 10.0 109.306 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.417 ' N ' ' HB3' ' A' ' 24' ' ' GLU . . . -111.43 -179.17 20.18 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.484 1.115 . . . . 10.0 111.027 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.462 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 18.2 Cg_endo -75.06 156.86 42.76 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.539 1.81 . . . . 10.0 110.989 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.669 ' O ' HG23 ' A' ' 31' ' ' VAL . 24.8 t -109.72 97.07 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 10.0 109.278 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 34.9 mttt -66.0 93.49 0.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 10.0 109.301 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 29' ' ' VAL . 13.0 t -92.62 138.17 20.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 10.0 109.286 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.421 ' HA ' ' O ' ' A' ' 97' ' ' VAL . 7.1 p90 -161.1 152.82 19.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 10.0 108.016 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.403 ' O ' ' HA ' ' A' ' 96' ' ' ASP . . . -169.3 -174.04 37.42 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.556 1.16 . . . . 10.0 110.996 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 25.6 p -157.53 124.97 5.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 0.756 . . . . 10.0 110.003 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.677 HG21 HD13 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -84.79 163.16 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 10.0 109.275 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.507 ' CG ' ' O ' ' A' ' 35' ' ' ILE . 26.4 mttm -157.13 106.59 2.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 10.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.406 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 141.19 -39.99 1.38 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.503 1.127 . . . . 10.0 110.941 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.702 HD11 HG11 ' A' ' 119' ' ' VAL . 0.3 OUTLIER -54.02 -170.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 0.759 . . . . 10.0 109.325 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.3 p -130.62 136.33 48.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 10.0 110.388 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.784 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -39.21 122.16 1.23 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 10.0 110.282 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.485 ' C ' HD13 ' A' ' 42' ' ' LEU . . . 155.1 -147.45 16.47 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.449 1.093 . . . . 10.0 111.002 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.485 HD13 ' C ' ' A' ' 41' ' ' GLY . 0.3 OUTLIER -102.81 150.7 23.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 0.782 . . . . 10.0 109.284 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.639 ' CG ' HD22 ' A' ' 38' ' ' LEU . 41.3 m-70 -151.28 115.95 5.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 10.0 109.594 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.538 ' CA ' ' HB2' ' A' ' 120' ' ' HIS . . . -71.28 78.23 0.56 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.53 1.144 . . . . 10.0 111.018 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.639 ' CZ ' ' CB ' ' A' ' 117' ' ' LEU . 1.0 OUTLIER -72.92 114.39 11.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.442 0.731 . . . . 10.0 110.981 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.535 ' NE2' ' CD2' ' A' ' 120' ' ' HIS . 13.0 p80 -175.93 176.14 1.85 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 10.0 109.594 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.506 HG22 ' O ' ' A' ' 116' ' ' THR . 9.5 t -77.91 160.19 4.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 10.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.603 ' CD2' ' O ' ' A' ' 142' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 10.0 109.575 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 111.042 -0.823 . . . . 10.0 111.042 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -51.98 136.24 29.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 0.752 . . . . 10.0 109.27 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 14.3 tp -164.21 47.29 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 10.0 109.277 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 38.58 -157.48 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.496 1.123 . . . . 10.0 110.975 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.488 ' HB2' HD23 ' A' ' 126' ' ' LEU . 3.8 m-20 -127.65 175.71 8.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 0.745 . . . . 10.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 23.6 m -130.33 -164.54 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 10.0 109.331 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.438 ' HA ' ' O ' ' A' ' 41' ' ' GLY . 23.3 m -151.05 138.3 19.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 10.0 110.404 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.784 ' HB3' ' HA ' ' A' ' 40' ' ' GLU . . . -84.99 175.08 9.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 10.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.448 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 15.4 t0 -86.95 -98.63 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 10.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.448 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 19.9 pttt -136.9 9.75 3.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 10.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -146.59 18.58 1.32 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 10.0 109.269 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.452 ' CA ' ' HB1' ' A' ' 89' ' ' ALA . . . 90.04 -24.62 14.94 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.493 1.121 . . . . 10.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.524 HG13 ' O ' ' A' ' 35' ' ' ILE . 15.1 t -48.03 110.39 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.543 0.79 . . . . 10.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -118.15 121.39 40.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 10.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.403 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 3.8 p-10 -112.28 152.64 28.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 10.0 109.305 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.421 ' O ' ' HA ' ' A' ' 32' ' ' TRP . 55.7 t -134.37 159.76 41.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 10.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 93.2 p -164.48 99.42 0.81 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 10.0 109.968 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 4.3 mt -125.75 146.36 31.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 10.0 109.302 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -131.22 90.34 2.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 10.0 110.285 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.462 ' O ' ' CB ' ' A' ' 28' ' ' PRO . 0.4 OUTLIER -113.03 162.37 15.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 10.0 109.268 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 26.8 p -134.06 31.18 3.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 10.0 110.04 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -105.84 -42.12 6.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 10.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.424 ' HA ' ' CG ' ' A' ' 110' ' ' HIS . 0.0 OUTLIER -70.34 177.31 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 10.0 109.303 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . 0.606 ' O ' HG23 ' A' ' 112' ' ' ILE . 3.2 m -150.97 146.99 26.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 10.0 109.962 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.543 HD22 HD11 ' A' ' 113' ' ' ILE . 12.7 mt -62.74 -53.8 48.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 10.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 5.5 t -144.99 68.67 1.24 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 10.0 110.002 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -141.58 -144.28 4.37 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.448 1.092 . . . . 10.0 111.012 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -55.82 -32.13 63.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 0.768 . . . . 10.0 109.292 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . 0.424 ' CG ' ' HA ' ' A' ' 104' ' ' ILE . 10.9 m80 -94.37 -55.8 3.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 10.0 109.607 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 4.5 t 53.39 99.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 10.0 109.97 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.775 HD13 ' CE2' ' A' ' 20' ' ' PHE . 1.3 pp -89.96 -26.16 5.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 10.0 109.328 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.543 HD11 HD22 ' A' ' 106' ' ' LEU . 18.0 mm -50.25 122.57 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 10.0 109.351 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 107.17 8.02 31.95 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.557 1.16 . . . . 10.0 110.976 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.939 ' O ' HD12 ' A' ' 149' ' ' ILE . 18.4 mtt180 -98.13 148.8 23.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 0.801 . . . . 10.0 110.284 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.543 HG23 ' CG2' ' A' ' 118' ' ' VAL . 8.1 t -142.22 134.72 28.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 10.0 110.392 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.639 ' CB ' ' CZ ' ' A' ' 45' ' ' PHE . 0.3 OUTLIER -90.73 76.55 6.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 10.0 109.332 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 1.02 HG13 ' O ' ' A' ' 145' ' ' ALA . 2.7 t -72.3 99.61 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 10.0 109.279 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.702 HG11 HD11 ' A' ' 38' ' ' LEU . 21.1 m -41.61 146.66 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 10.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.538 ' HB2' ' CA ' ' A' ' 44' ' ' GLY . 0.3 OUTLIER -84.52 115.68 22.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 10.0 109.588 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.591 ' HA ' HD11 ' A' ' 144' ' ' LEU . 3.5 tm-20 -38.57 -28.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 10.0 110.342 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 120' ' ' HIS . 1.6 ttmt -151.78 155.53 38.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 10.0 109.301 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -50.26 176.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 10.0 109.278 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.408 ' CG ' ' O ' ' A' ' 127' ' ' GLY . 57.0 t0 -138.61 44.9 2.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 10.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 47.11 27.79 0.84 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 10.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.488 HD23 ' HB2' ' A' ' 86' ' ' ASN . 25.6 mt 54.86 19.6 2.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 10.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . 0.408 ' O ' ' CG ' ' A' ' 124' ' ' ASP . . . -175.28 -109.07 0.23 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.506 1.129 . . . . 10.0 111.02 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 44.8 mtmt -123.11 -77.2 0.59 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 0.754 . . . . 10.0 109.264 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 86.13 -38.41 3.07 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.485 1.116 . . . . 10.0 111.011 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -106.32 -155.24 21.05 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.008 -0.837 . . . . 10.0 111.008 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -149.32 143.96 26.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 0.749 . . . . 10.0 109.266 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 51.97 28.14 4.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 10.0 110.292 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -153.29 -78.81 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 10.0 110.328 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . 0.47 ' HA ' ' CA ' ' A' ' 138' ' ' GLY . 39.8 m -62.65 -22.61 66.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 10.0 110.008 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 23.5 p -68.24 -34.8 76.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 10.0 110.389 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 16.7 pttt -96.58 -24.44 16.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 10.0 109.321 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . 0.428 ' OG1' ' N ' ' A' ' 138' ' ' GLY . 81.1 p -136.36 -100.84 0.21 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 10.0 110.416 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . 0.47 ' CA ' ' HA ' ' A' ' 134' ' ' SER . . . 174.24 36.93 0.04 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.54 1.15 . . . . 10.0 110.96 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' ASN . . . . . 0.422 ' C ' ' O ' ' A' ' 138' ' ' GLY . 51.4 t30 37.41 32.89 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 0.764 . . . . 10.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 138' ' ' GLY . . . -115.26 -63.15 1.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 10.0 109.334 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 116.71 68.91 0.41 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.474 1.108 . . . . 10.0 111.001 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . 0.603 ' O ' ' CD2' ' A' ' 48' ' ' HIS . 68.8 p -58.07 101.38 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 0.756 . . . . 10.0 110.017 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . 0.686 ' C ' HD12 ' A' ' 144' ' ' LEU . 6.4 mtt85 -165.19 93.71 0.61 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 10.0 110.271 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.686 HD12 ' C ' ' A' ' 143' ' ' ARG . 5.6 mp -152.94 -103.18 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 10.0 109.27 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . 1.02 ' O ' HG13 ' A' ' 118' ' ' VAL . . . -77.14 175.56 9.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 10.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -153.48 68.44 0.79 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 10.0 108.309 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . 0.718 ' O ' ' HB1' ' A' ' 6' ' ' ALA . . . -68.27 60.83 0.41 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.498 1.124 . . . . 10.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.448 ' CG2' ' HB ' ' A' ' 116' ' ' THR . 2.9 t -57.41 104.6 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.52 0.776 . . . . 10.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 149' ' ' ILE . . . . . 0.939 HD12 ' O ' ' A' ' 115' ' ' ARG . 4.2 mp -56.31 122.47 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 10.0 109.267 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -142.72 137.5 7.78 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.514 1.133 . . . . 10.0 110.968 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . 0.727 HD12 HG23 ' A' ' 2' ' ' THR . 27.4 mm -52.6 146.87 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.463 0.743 . . . . 10.0 109.312 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . 0.637 ' HB3' HG23 ' A' ' 5' ' ' VAL . . . -150.22 174.81 12.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 10.0 109.279 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 10.0 110.322 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.788 ' HB ' HD22 ' A' ' 106' ' ' LEU . 54.0 m . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 110.371 -0.233 . . . . 10.0 110.371 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.415 ' N ' HG22 ' A' ' 2' ' ' THR . 0.5 OUTLIER -115.3 99.24 7.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 10.0 109.304 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.96 ' HB3' ' HB2' ' A' ' 20' ' ' PHE . . . -84.82 169.32 14.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 10.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.425 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -148.08 145.34 18.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 10.0 109.358 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.888 ' HB3' ' CG1' ' A' ' 18' ' ' ILE . . . -138.3 104.72 5.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 10.0 109.306 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 70.2 t -84.3 88.14 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 10.0 109.266 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.586 HD22 ' HA3' ' A' ' 147' ' ' GLY . 2.2 mm? -40.7 146.93 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 10.0 109.273 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.44 129.06 0.2 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 10.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.434 ' O ' ' C ' ' A' ' 11' ' ' ASP . . . -178.62 -91.92 0.08 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.485 1.115 . . . . 10.0 111.034 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 10' ' ' GLY . 33.9 t0 -38.11 -36.16 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 0.762 . . . . 10.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 137.04 -64.55 0.57 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.515 1.135 . . . . 10.0 110.983 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.469 ' O ' ' N ' ' A' ' 15' ' ' GLN . 18.3 Cg_endo -75.0 -37.08 2.18 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.5 1.789 . . . . 10.0 110.965 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.733 ' O ' HG12 ' A' ' 14' ' ' VAL . 1.9 t -54.9 88.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 10.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 13' ' ' PRO . 0.2 OUTLIER -113.5 35.28 4.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 10.0 110.32 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.53 ' CA ' ' HB2' ' A' ' 8' ' ' LEU . . . -47.29 163.17 0.22 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.46 1.1 . . . . 10.0 110.994 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.405 HG13 ' C ' ' A' ' 16' ' ' GLY . 64.4 mt -142.5 105.98 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.538 0.787 . . . . 10.0 109.25 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.888 ' CG1' ' HB3' ' A' ' 6' ' ' ALA . 0.6 OUTLIER -99.3 159.45 3.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 10.0 109.283 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.584 ' N ' HD12 ' A' ' 18' ' ' ILE . 0.1 OUTLIER -144.05 116.76 8.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 10.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.96 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 1.9 m-30 -95.07 96.45 9.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 10.0 111.014 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -107.61 122.99 47.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 10.0 110.299 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.652 ' HB2' HG13 ' A' ' 29' ' ' VAL . 9.0 tt0 -135.39 59.26 1.73 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 10.0 110.276 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -73.0 63.07 0.64 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 10.0 109.307 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.461 ' O ' ' CB ' ' A' ' 25' ' ' SER . 31.2 mm-40 -132.69 -52.49 0.93 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 10.0 110.339 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.461 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 0.2 OUTLIER 83.39 -10.03 1.01 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 10.0 110.028 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -157.35 26.0 0.3 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 10.0 109.325 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -133.93 -174.43 13.52 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.506 1.129 . . . . 10.0 110.972 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.458 ' HA ' ' O ' ' A' ' 101' ' ' ASP . 18.2 Cg_endo -75.03 157.4 42.67 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.535 1.808 . . . . 10.0 110.979 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.652 HG13 ' HB2' ' A' ' 22' ' ' GLN . 24.3 t -88.51 120.64 37.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 10.0 109.343 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.0 tttt -69.79 91.22 0.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 10.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.579 HG13 ' CE1' ' A' ' 20' ' ' PHE . 92.6 t -88.58 119.23 35.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 10.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -159.67 160.42 34.16 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.03 -1.1 . . . . 10.0 108.03 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.421 ' O ' ' HA ' ' A' ' 96' ' ' ASP . . . 179.43 -162.84 29.86 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.488 1.117 . . . . 10.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.9 p -156.58 124.17 5.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 0.785 . . . . 10.0 110.043 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.497 HG23 ' N ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -84.26 166.06 2.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.111 . . . . 10.0 109.293 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.497 ' N ' HG23 ' A' ' 35' ' ' ILE . 12.0 mttt -152.05 96.36 2.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 10.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.448 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 148.77 -34.14 1.14 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.456 1.098 . . . . 10.0 111.015 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.679 HD12 ' CG ' ' A' ' 43' ' ' HIS . 0.2 OUTLIER -53.04 -170.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 0.742 . . . . 10.0 109.319 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.416 ' O ' ' N ' ' A' ' 41' ' ' GLY . 20.4 p -137.43 142.82 41.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 10.0 110.425 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.452 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 8.0 tm-20 -39.04 98.22 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.142 . . . . 10.0 110.348 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 39' ' ' THR . . . 161.76 176.59 34.01 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.484 1.115 . . . . 10.0 110.972 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.401 ' HA ' ' O ' ' A' ' 87' ' ' VAL . 1.0 OUTLIER -74.72 146.45 42.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 0.775 . . . . 10.0 109.322 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.679 ' CG ' HD12 ' A' ' 38' ' ' LEU . 7.5 p80 -153.25 151.14 29.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.401 1.063 . . . . 10.0 109.61 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -82.25 159.45 39.16 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.528 1.142 . . . . 10.0 111.021 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.58 ' CZ ' ' HB3' ' A' ' 117' ' ' LEU . 58.3 t80 -169.03 97.45 0.36 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.428 0.722 . . . . 10.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.457 ' CE1' ' HB3' ' A' ' 48' ' ' HIS . 7.6 p80 -167.42 175.56 7.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 10.0 109.566 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.688 HG21 ' HG3' ' A' ' 115' ' ' ARG . 3.5 t -95.11 109.58 22.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 10.0 109.299 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.459 ' ND1' ' O ' ' A' ' 48' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 10.0 109.575 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.437 ' O ' ' C ' ' A' ' 83' ' ' ASP . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 110.958 -0.857 . . . . 10.0 110.958 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.799 ' O ' HD12 ' A' ' 84' ' ' LEU . 9.1 p-10 36.59 82.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 0.784 . . . . 10.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.799 HD12 ' O ' ' A' ' 83' ' ' ASP . 0.0 OUTLIER 172.18 114.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 10.0 109.312 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -54.4 -167.16 0.03 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.493 1.121 . . . . 10.0 110.982 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 64.6 m-20 -94.02 163.32 13.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 0.774 . . . . 10.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.429 HG12 ' H ' ' A' ' 88' ' ' THR . 2.5 t -127.63 167.93 21.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 10.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.429 ' H ' HG12 ' A' ' 87' ' ' VAL . 92.7 m -139.96 150.67 44.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 10.0 110.408 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.581 ' HB1' ' CA ' ' A' ' 93' ' ' GLY . . . -87.6 164.43 16.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 10.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.437 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 5.6 t70 -79.65 -94.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 10.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.513 ' CG ' ' O ' ' A' ' 91' ' ' LYS . 11.9 tttt -139.47 12.99 2.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 10.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -152.84 22.9 0.58 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.085 . . . . 10.0 109.269 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.581 ' CA ' ' HB1' ' A' ' 89' ' ' ALA . . . 93.1 -35.57 4.05 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.48 1.112 . . . . 10.0 111.033 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.452 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 55.6 t -41.55 108.74 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 0.766 . . . . 10.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -114.53 118.36 33.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.116 . . . . 10.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.421 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 4.1 p-10 -102.06 146.21 28.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.138 . . . . 10.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.429 HG12 ' N ' ' A' ' 98' ' ' SER . 30.6 t -114.5 163.58 11.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 10.0 109.345 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.429 ' N ' HG12 ' A' ' 97' ' ' VAL . 90.6 p -168.34 96.06 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 10.0 110.02 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.8 mt -143.56 159.25 16.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.497 1.123 . . . . 10.0 109.304 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -122.0 105.18 10.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.136 . . . . 10.0 110.259 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.458 ' O ' ' HA ' ' A' ' 28' ' ' PRO . 1.5 m-20 -84.35 109.46 17.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.453 1.095 . . . . 10.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 62.9 p -92.82 -7.08 47.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 10.0 109.95 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 77.1 t -86.48 -84.03 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 10.0 109.311 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.747 HD12 ' C ' ' A' ' 104' ' ' ILE . 1.7 pp -57.58 173.91 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 10.0 109.269 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 20.2 p 179.98 179.86 0.51 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.559 1.162 . . . . 10.0 110.004 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.788 HD22 ' HB ' ' A' ' 2' ' ' THR . 0.9 OUTLIER -99.01 48.76 0.96 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 10.0 109.274 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.465 ' O ' ' N ' ' A' ' 109' ' ' ASP . 0.3 OUTLIER -105.68 60.97 0.66 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 10.0 109.992 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.473 ' O ' ' CB ' ' A' ' 111' ' ' SER . . . 52.52 -87.52 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.511 1.132 . . . . 10.0 111.0 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 107' ' ' SER . 0.3 OUTLIER -55.43 -34.63 64.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 0.745 . . . . 10.0 109.333 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . 0.464 ' O ' ' C ' ' A' ' 111' ' ' SER . 12.4 m80 -84.53 -16.76 41.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 10.0 109.572 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.473 ' CB ' ' O ' ' A' ' 108' ' ' GLY . 76.3 p -33.52 116.96 0.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 10.0 110.008 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.686 HG21 HD13 ' A' ' 104' ' ' ILE . 0.1 OUTLIER -85.97 -12.81 11.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 10.0 109.304 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.524 HD13 HG22 ' A' ' 149' ' ' ILE . 34.8 mm -40.07 113.77 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 10.0 109.327 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 116.63 20.66 4.94 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.556 1.16 . . . . 10.0 111.019 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.814 ' HB3' HD13 ' A' ' 149' ' ' ILE . 0.0 OUTLIER -84.72 106.95 16.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 0.78 . . . . 10.0 110.261 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.645 ' C ' HG22 ' A' ' 47' ' ' VAL . 5.4 m -89.98 83.0 6.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 10.0 110.419 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.58 ' HB3' ' CZ ' ' A' ' 45' ' ' PHE . 2.7 mm? -71.09 76.6 0.68 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 10.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.551 HG13 ' O ' ' A' ' 145' ' ' ALA . 2.7 t -66.97 139.47 21.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 10.0 109.271 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.548 HG12 ' HD1' ' A' ' 45' ' ' PHE . 1.9 m -99.64 133.17 43.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 10.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.416 ' ND1' ' HA2' ' A' ' 141' ' ' GLY . 10.6 m-70 -91.3 140.71 29.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 10.0 109.613 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -46.87 -25.99 0.88 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 10.0 110.278 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 3.1 tttp -145.29 -171.89 3.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 10.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.466 ' HB2' ' N ' ' A' ' 43' ' ' HIS . . . -111.82 -166.07 1.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 10.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.415 ' C ' ' N ' ' A' ' 126' ' ' LEU . 4.9 t70 -101.16 5.1 42.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 10.0 109.262 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 48.12 24.06 0.6 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 10.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.415 ' N ' ' C ' ' A' ' 124' ' ' ASP . 7.5 mt 59.89 15.8 5.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.117 . . . . 10.0 109.295 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 172.32 -46.75 0.17 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.483 1.115 . . . . 10.0 111.03 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 129' ' ' GLY . 0.0 OUTLIER 49.48 23.64 0.94 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 0.799 . . . . 10.0 109.278 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 0.426 ' C ' ' O ' ' A' ' 128' ' ' LYS . . . 35.73 45.32 0.76 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.492 1.12 . . . . 10.0 110.972 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . 0.497 ' O ' HG23 ' A' ' 135' ' ' THR . . . -133.89 160.63 24.14 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.047 -0.821 . . . . 10.0 111.047 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -138.55 134.09 33.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 0.777 . . . . 10.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 73.05 7.66 5.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.567 1.167 . . . . 10.0 110.292 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -132.7 -66.66 0.67 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 10.0 110.285 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . 0.442 ' HA ' ' CA ' ' A' ' 138' ' ' GLY . 95.0 p -83.98 -23.57 30.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 10.0 110.007 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . 0.497 HG23 ' O ' ' A' ' 130' ' ' GLY . 1.2 p -66.65 -16.4 64.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 10.0 110.391 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.502 ' HG3' HG23 ' A' ' 137' ' ' THR . 3.0 pttt -109.06 -46.08 3.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 10.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . 0.502 HG23 ' HG3' ' A' ' 136' ' ' LYS . 19.5 p -117.88 -82.05 0.63 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 10.0 110.408 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . 0.442 ' CA ' ' HA ' ' A' ' 134' ' ' SER . . . 160.85 42.68 0.02 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.498 1.124 . . . . 10.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 39.45 33.07 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 0.766 . . . . 10.0 109.334 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.4 ' N ' ' C ' ' A' ' 138' ' ' GLY . . . -154.49 24.89 0.46 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 10.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . 0.416 ' HA2' ' ND1' ' A' ' 120' ' ' HIS . . . -80.52 81.34 1.58 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.498 1.124 . . . . 10.0 111.027 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . 0.409 ' O ' ' O ' ' A' ' 143' ' ' ARG . 4.9 t -111.3 -14.82 13.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 0.786 . . . . 10.0 109.964 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . 0.409 ' HB3' HG11 ' A' ' 118' ' ' VAL . 6.5 mtm180 60.69 132.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 10.0 110.288 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.639 ' O ' ' HB2' ' A' ' 145' ' ' ALA . 0.4 OUTLIER -170.08 58.44 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 10.0 109.329 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . 0.639 ' HB2' ' O ' ' A' ' 144' ' ' LEU . . . 166.57 149.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 10.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' CYS . . . . . 0.534 ' HB3' HG23 ' A' ' 116' ' ' THR . 9.0 m -155.01 60.51 0.65 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.095 . . . . 10.0 108.304 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . 0.586 ' HA3' HD22 ' A' ' 8' ' ' LEU . . . -43.89 -51.14 7.18 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.483 1.115 . . . . 10.0 111.0 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 2.3 t 65.56 123.88 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.487 0.757 . . . . 10.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 149' ' ' ILE . . . . . 0.943 HG23 ' HB1' ' A' ' 4' ' ' ALA . 1.8 mp -79.01 129.46 37.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 10.0 109.256 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -132.83 152.44 20.31 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.512 1.132 . . . . 10.0 110.941 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . 0.574 HD12 HG21 ' A' ' 2' ' ' THR . 45.3 mm -69.45 133.21 32.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.541 0.789 . . . . 10.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -90.88 174.62 7.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.109 . . . . 10.0 109.315 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 3.7 pp0? . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 10.0 110.243 -179.972 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.736 HG21 HD12 ' A' ' 151' ' ' ILE . 94.4 m . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.356 -0.239 . . . . 10.0 110.356 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.749 ' O ' ' HB3' ' A' ' 152' ' ' ALA . 4.6 tttt -87.61 110.35 20.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 10.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.866 ' HB3' ' HB2' ' A' ' 20' ' ' PHE . . . -93.09 167.61 11.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 10.0 109.345 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.639 HG22 ' HB2' ' A' ' 152' ' ' ALA . 0.0 OUTLIER -144.59 141.43 23.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 10.0 109.3 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.955 ' HB3' ' CG1' ' A' ' 18' ' ' ILE . . . -134.56 105.76 6.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 10.0 109.286 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.55 ' O ' HG13 ' A' ' 7' ' ' VAL . 9.3 p -83.59 96.96 4.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 10.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.497 HD13 ' O ' ' A' ' 117' ' ' LEU . 0.3 OUTLIER -43.21 145.24 0.56 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.113 . . . . 10.0 109.238 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 29.2 tttt -166.31 117.51 1.0 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.084 . . . . 10.0 109.346 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 11' ' ' ASP . . . -154.1 -107.55 0.3 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.492 1.12 . . . . 10.0 110.95 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.426 ' C ' ' OD1' ' A' ' 11' ' ' ASP . 3.8 t0 -38.87 -59.19 0.99 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 0.747 . . . . 10.0 109.332 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.483 ' N ' ' CD ' ' A' ' 13' ' ' PRO . . . 165.53 -52.3 0.27 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.45 1.093 . . . . 10.0 111.05 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.483 ' CD ' ' N ' ' A' ' 12' ' ' GLY . 18.4 Cg_endo -74.99 -26.43 10.94 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.498 1.789 . . . . 10.0 111.022 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.634 HG11 ' HB2' ' A' ' 145' ' ' ALA . 34.8 t -66.4 89.07 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 10.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -116.82 31.21 6.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 10.0 110.322 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.482 ' N ' ' HB2' ' A' ' 8' ' ' LEU . . . -46.66 162.54 0.18 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.448 1.092 . . . . 10.0 110.97 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 36.5 mt -140.64 102.87 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 0.769 . . . . 10.0 109.321 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.955 ' CG1' ' HB3' ' A' ' 6' ' ' ALA . 0.8 OUTLIER -96.5 162.02 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 10.0 109.278 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.507 ' N ' HD12 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -142.01 119.46 11.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 10.0 109.288 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.866 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 1.6 m-85 -95.0 108.52 20.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 10.0 111.037 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.09 121.36 44.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.1 . . . . 10.0 110.332 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.401 ' NE2' ' HA ' ' A' ' 25' ' ' SER . 5.3 tt0 -123.05 71.92 1.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 10.0 110.323 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.7 mttt -72.12 61.46 0.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.107 . . . . 10.0 109.266 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.504 ' O ' ' CB ' ' A' ' 25' ' ' SER . 0.6 OUTLIER -155.87 -47.03 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 10.0 110.316 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 2.6 t 85.15 -12.52 0.7 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 10.0 110.014 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 41.6 p30 -159.22 26.89 0.2 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 10.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -125.47 -150.67 7.79 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.521 1.138 . . . . 10.0 111.013 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.475 ' HB3' ' CA ' ' A' ' 102' ' ' SER . 18.1 Cg_endo -75.0 165.23 31.75 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.51 1.795 . . . . 10.0 110.984 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.754 ' O ' HG23 ' A' ' 31' ' ' VAL . 43.4 t -113.11 99.18 8.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 10.0 109.273 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.4 mttt -52.62 92.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 10.0 109.277 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.754 HG23 ' O ' ' A' ' 29' ' ' VAL . 97.2 t -84.87 127.07 40.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 10.0 109.299 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.482 ' CD1' ' N ' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -162.46 163.35 27.63 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.979 -1.119 . . . . 10.0 107.979 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.482 ' N ' ' CD1' ' A' ' 32' ' ' TRP . . . 168.74 -164.59 38.19 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.523 1.139 . . . . 10.0 111.006 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 88.0 p -157.2 120.21 4.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 0.776 . . . . 10.0 109.991 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.997 HG21 HD13 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -83.97 167.93 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 10.0 109.286 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.542 ' N ' HG23 ' A' ' 35' ' ' ILE . 15.5 mttt -153.92 115.85 4.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 10.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.472 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 127.23 -39.52 1.93 Allowed Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.543 1.152 . . . . 10.0 111.03 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.997 HD13 HG21 ' A' ' 35' ' ' ILE . 1.0 OUTLIER -52.63 -169.22 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 0.742 . . . . 10.0 109.301 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 70.2 p -128.15 150.61 49.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 10.0 110.435 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.729 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 7.4 pt-20 -57.07 117.59 4.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 10.0 110.31 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 145.9 158.36 7.69 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.452 1.095 . . . . 10.0 111.002 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.837 HD23 ' OG1' ' A' ' 88' ' ' THR . 6.6 mt -51.33 161.34 0.46 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 0.793 . . . . 10.0 109.331 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.471 ' HB2' ' CG2' ' A' ' 87' ' ' VAL . 80.2 m-70 -142.6 175.28 9.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.137 . . . . 10.0 109.605 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.447 ' C ' ' CD1' ' A' ' 45' ' ' PHE . . . -70.34 -131.83 0.08 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.501 1.126 . . . . 10.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.566 ' N ' ' CD1' ' A' ' 45' ' ' PHE . 1.1 m-85 -139.55 174.37 10.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 0.788 . . . . 10.0 111.008 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.605 ' HB2' HD13 ' A' ' 117' ' ' LEU . 0.0 OUTLIER -107.92 174.31 5.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 10.0 109.589 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.442 HG13 ' HD2' ' A' ' 115' ' ' ARG . 15.0 t 71.61 126.79 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 10.0 109.309 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.547 ' CG ' ' O ' ' A' ' 48' ' ' HIS . 14.2 p-80 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 10.0 109.599 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.01 -0.836 . . . . 10.0 111.01 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 10.7 t70 49.88 96.07 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 0.757 . . . . 10.0 109.311 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -159.53 -81.61 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 10.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 161.54 168.75 23.88 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.507 1.129 . . . . 10.0 110.997 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.561 ' OD1' ' CE2' ' A' ' 45' ' ' PHE . 0.7 OUTLIER -86.88 148.34 25.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.398 0.705 . . . . 10.0 109.286 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.595 HG11 ' CE1' ' A' ' 46' ' ' HIS . 4.0 m -109.21 177.3 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 10.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.837 ' OG1' HD23 ' A' ' 42' ' ' LEU . 85.7 m -149.9 157.25 42.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 10.0 110.42 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.729 ' HB3' ' HA ' ' A' ' 40' ' ' GLU . . . -99.44 161.03 13.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 10.0 109.267 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.451 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 13.0 t0 -73.74 -97.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 10.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.451 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 8.7 ptmt -138.82 12.63 2.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 10.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -151.08 21.95 0.76 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 10.0 109.257 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.552 ' CA ' ' HB1' ' A' ' 89' ' ' ALA . . . 91.06 -32.11 5.32 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.506 1.129 . . . . 10.0 110.978 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.456 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 57.9 t -44.54 95.09 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.541 0.789 . . . . 10.0 109.344 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.473 ' N ' ' O ' ' A' ' 93' ' ' GLY . . . -98.61 117.89 34.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 10.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.429 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 3.8 p-10 -108.61 146.08 33.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 10.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.461 HG12 ' N ' ' A' ' 98' ' ' SER . 33.3 t -115.17 165.32 10.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 10.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.461 ' N ' HG12 ' A' ' 97' ' ' VAL . 6.4 p 179.66 75.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 10.0 109.996 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.539 HG22 ' N ' ' A' ' 100' ' ' GLU . 8.7 mt -129.21 168.31 22.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 10.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.539 ' N ' HG22 ' A' ' 99' ' ' ILE . 10.7 mp0 -133.06 102.71 5.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 10.0 110.308 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.464 ' O ' ' HA ' ' A' ' 28' ' ' PRO . 11.0 t0 -99.97 111.72 24.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 10.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.475 ' CA ' ' HB3' ' A' ' 28' ' ' PRO . 11.0 p -97.83 61.7 1.58 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 10.0 109.995 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 53.1 t -138.2 -47.41 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 10.0 109.223 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -82.97 -170.96 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 10.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.7 p 179.9 151.25 0.4 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 10.0 109.977 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.77 ' N ' HD23 ' A' ' 106' ' ' LEU . 0.1 OUTLIER -99.9 36.77 1.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 10.0 109.318 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -120.28 176.55 5.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 10.0 110.046 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.58 88.03 0.05 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.466 1.104 . . . . 10.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 165.95 -73.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 0.768 . . . . 10.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 29.4 m80 -108.1 20.35 18.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 10.0 109.568 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 26.2 p -39.02 101.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 10.0 109.983 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.415 ' H ' ' CD1' ' A' ' 112' ' ' ILE . 0.1 OUTLIER -85.32 -8.12 11.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 10.0 109.291 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.4 ' C ' ' O ' ' A' ' 112' ' ' ILE . 40.1 mm -39.81 105.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 10.0 109.337 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 118.13 30.0 1.85 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.509 1.13 . . . . 10.0 110.997 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.442 ' HD2' HG13 ' A' ' 47' ' ' VAL . 2.9 mmt-85 -85.07 119.38 25.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 0.746 . . . . 10.0 110.324 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.456 HG23 ' HA ' ' A' ' 146' ' ' CYS . 1.9 m -80.18 95.02 6.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 10.0 110.343 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.605 HD13 ' HB2' ' A' ' 46' ' ' HIS . 2.9 mm? -75.28 94.79 3.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 10.0 109.263 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 145' ' ' ALA . 12.3 p -113.07 171.14 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 10.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.788 HG21 HD11 ' A' ' 38' ' ' LEU . 18.4 m -130.0 -167.62 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 10.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -134.76 154.52 51.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 10.0 109.58 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -57.51 -39.64 76.95 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.526 1.141 . . . . 10.0 110.269 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.56 ' C ' ' HB1' ' A' ' 140' ' ' ALA . 0.0 OUTLIER -130.34 -168.62 2.0 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 10.0 109.289 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.635 ' HB2' ' C ' ' A' ' 42' ' ' LEU . . . -99.31 157.71 16.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 10.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.55 -10.61 58.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 10.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.0 t70 64.81 24.68 12.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.11 . . . . 10.0 109.301 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 13.4 mt 65.21 11.84 7.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.455 1.097 . . . . 10.0 109.334 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 105.7 124.27 5.32 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.493 1.121 . . . . 10.0 111.05 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.478 ' CE ' ' HB3' ' A' ' 139' ' ' ASN . 0.1 OUTLIER -97.87 -38.31 9.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 0.773 . . . . 10.0 109.256 -179.916 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 100.2 11.43 42.37 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.474 1.109 . . . . 10.0 110.928 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -59.18 -150.19 0.01 OUTLIER Glycine 0 CA--C 1.531 1.049 0 N-CA-C 110.977 -0.849 . . . . 10.0 110.977 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . 0.408 ' HA ' HG21 ' A' ' 135' ' ' THR . 7.8 m-80 -145.04 139.8 27.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 0.798 . . . . 10.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 50.29 22.13 0.93 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 10.0 110.345 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -140.71 -75.14 0.33 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 10.0 110.357 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.55 -13.36 59.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 10.0 109.971 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . 0.408 HG21 ' HA ' ' A' ' 131' ' ' ASN . 30.6 p -81.14 -19.93 42.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 10.0 110.385 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.06 -33.08 6.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 10.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 76.9 p -134.0 -97.58 0.27 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 10.0 110.373 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . 0.432 ' C ' ' N ' ' A' ' 140' ' ' ALA . . . -178.72 35.3 0.08 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.496 1.123 . . . . 10.0 111.022 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' ASN . . . . . 0.478 ' HB3' ' CE ' ' A' ' 128' ' ' LYS . 7.3 t-20 43.54 27.54 0.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 0.762 . . . . 10.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.56 ' HB1' ' C ' ' A' ' 122' ' ' LYS . . . -83.84 -62.53 1.55 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 10.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 176.32 -96.96 0.11 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.487 1.117 . . . . 10.0 110.971 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 6.6 t -173.4 172.98 3.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 0.775 . . . . 10.0 110.007 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . 0.472 ' HB3' HG21 ' A' ' 118' ' ' VAL . 1.6 mpp_? -64.58 159.73 21.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 10.0 110.327 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.466 ' O ' ' HB2' ' A' ' 145' ' ' ALA . 0.7 OUTLIER -170.97 46.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 10.0 109.299 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . 0.634 ' HB2' HG11 ' A' ' 14' ' ' VAL . . . 177.55 155.04 0.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 10.0 109.339 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' CYS . . . . . 0.633 ' SG ' HG23 ' A' ' 148' ' ' VAL . 5.4 t -157.61 61.75 0.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 10.0 108.303 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -49.59 -50.68 30.1 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.523 1.139 . . . . 10.0 110.986 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.633 HG23 ' SG ' ' A' ' 146' ' ' CYS . 3.5 t 64.46 129.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.436 0.727 . . . . 10.0 109.314 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 149' ' ' ILE . . . . . 0.549 HD13 ' HB2' ' A' ' 6' ' ' ALA . 19.4 mm -66.98 140.1 19.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 10.0 109.31 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 151' ' ' ILE . . . -141.14 102.55 0.31 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.48 1.113 . . . . 10.0 110.997 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . 0.736 HD12 HG21 ' A' ' 2' ' ' THR . 17.4 mm -38.82 123.84 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 0.774 . . . . 10.0 109.23 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . 0.749 ' HB3' ' O ' ' A' ' 3' ' ' LYS . . . -84.89 175.37 9.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 10.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 10.0 110.27 -179.956 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.733 HG21 HD12 ' A' ' 151' ' ' ILE . 2.2 m . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.424 -0.213 . . . . 10.0 110.424 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.971 ' O ' ' HB3' ' A' ' 152' ' ' ALA . 0.1 OUTLIER -86.2 105.03 16.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 10.0 109.3 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.504 ' HB1' HG22 ' A' ' 149' ' ' ILE . . . -89.04 158.27 18.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 10.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.801 HG23 ' HB2' ' A' ' 152' ' ' ALA . 1.8 t -128.7 151.54 35.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 10.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.631 ' HB2' HD13 ' A' ' 149' ' ' ILE . . . -149.29 90.17 1.71 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 10.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.666 HG12 HG23 ' A' ' 17' ' ' ILE . 33.8 m -83.89 108.02 15.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 10.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.683 HD11 ' O ' ' A' ' 117' ' ' LEU . 4.3 mm? -53.87 140.85 29.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 10.0 109.359 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 39.3 pttt -177.12 130.38 0.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 10.0 109.326 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 171.18 -85.2 0.08 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.462 1.101 . . . . 10.0 111.01 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -41.2 -40.93 1.7 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 0.778 . . . . 10.0 109.334 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.402 ' N ' ' CD ' ' A' ' 13' ' ' PRO . . . 126.29 -56.89 0.71 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.508 1.13 . . . . 10.0 111.008 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.402 ' CD ' ' N ' ' A' ' 12' ' ' GLY . 18.3 Cg_endo -74.98 -27.31 10.17 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.441 1.758 . . . . 10.0 110.989 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.444 ' CG1' ' HB2' ' A' ' 145' ' ' ALA . 24.1 t -81.73 109.17 15.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.128 . . . . 10.0 109.349 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -128.65 37.48 4.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.421 1.076 . . . . 10.0 110.315 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.479 ' CA ' ' HB2' ' A' ' 8' ' ' LEU . . . -53.27 167.15 1.36 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.448 1.092 . . . . 10.0 111.004 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.666 HG23 HG12 ' A' ' 7' ' ' VAL . 8.9 mt -145.11 109.72 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.465 0.744 . . . . 10.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.478 HD11 ' CE1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -130.59 142.27 44.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 10.0 109.273 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -122.71 164.57 18.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 10.0 109.302 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.804 ' CD1' HD12 ' A' ' 149' ' ' ILE . 1.7 m-85 -130.3 104.97 7.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 10.0 110.982 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 30' ' ' LYS . 15.9 tt0 -115.67 133.92 55.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 10.0 110.284 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.645 ' OE1' HG22 ' A' ' 29' ' ' VAL . 31.7 tt0 -128.51 59.5 1.53 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 10.0 110.273 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.76 66.31 0.35 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 10.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.518 ' O ' ' CB ' ' A' ' 25' ' ' SER . 0.7 OUTLIER -144.75 -57.0 0.35 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.558 1.161 . . . . 10.0 110.32 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.518 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 2.6 t 86.23 -14.45 0.52 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 10.0 110.013 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 12.1 m-20 -154.09 24.1 0.49 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 10.0 109.292 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -134.0 -171.13 12.5 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.509 1.131 . . . . 10.0 110.989 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.469 ' HA ' ' O ' ' A' ' 101' ' ' ASP . 18.3 Cg_endo -74.98 157.95 42.55 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.547 1.814 . . . . 10.0 110.987 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.645 HG22 ' OE1' ' A' ' 22' ' ' GLN . 47.7 t -87.54 126.85 41.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.102 . . . . 10.0 109.282 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 21' ' ' GLU . 35.0 mttt -78.11 94.77 4.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 10.0 109.306 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.56 HG13 ' CE1' ' A' ' 20' ' ' PHE . 7.9 t -95.84 127.32 48.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.525 1.14 . . . . 10.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.403 ' HA ' ' C ' ' A' ' 97' ' ' VAL . 0.5 OUTLIER -157.31 156.48 32.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 10.0 108.001 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.424 ' O ' ' HA ' ' A' ' 96' ' ' ASP . . . 177.73 -167.69 38.76 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.557 1.161 . . . . 10.0 110.994 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 64.0 p -156.78 121.15 4.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 0.753 . . . . 10.0 109.969 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.689 HG21 HD13 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -84.4 165.37 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 10.0 109.299 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.495 ' CG ' ' O ' ' A' ' 35' ' ' ILE . 18.8 mttt -156.27 114.92 3.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 10.0 109.318 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.44 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 135.91 -48.53 0.92 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.49 1.119 . . . . 10.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.837 HD11 HG21 ' A' ' 119' ' ' VAL . 1.1 mp -53.87 -169.21 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.542 0.789 . . . . 10.0 109.295 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.435 ' O ' ' C ' ' A' ' 40' ' ' GLU . 53.4 p -137.52 145.74 43.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 10.0 110.416 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.757 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -35.83 125.43 0.71 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 10.0 110.292 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 135.04 179.87 16.96 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.551 1.157 . . . . 10.0 110.993 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.57 HD22 HD11 ' A' ' 126' ' ' LEU . 6.9 mp -80.62 155.82 26.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 0.748 . . . . 10.0 109.352 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.703 ' CD2' HD22 ' A' ' 38' ' ' LEU . 90.4 m-70 -150.27 75.8 1.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.098 . . . . 10.0 109.564 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.519 ' HA3' ' CG ' ' A' ' 120' ' ' HIS . . . 35.06 -143.31 0.08 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.51 1.131 . . . . 10.0 111.018 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -152.58 159.56 43.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 0.764 . . . . 10.0 111.003 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.712 ' C ' HG23 ' A' ' 47' ' ' VAL . 2.0 p80 -62.58 174.75 0.92 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 10.0 109.648 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.712 HG23 ' C ' ' A' ' 46' ' ' HIS . 1.9 t 77.06 71.89 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 10.0 109.274 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.515 ' CE1' ' NE2' ' A' ' 120' ' ' HIS . 41.7 m80 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 10.0 109.589 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 111.033 -0.827 . . . . 10.0 111.033 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.37 103.6 3.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 0.752 . . . . 10.0 109.335 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.97 -77.88 0.07 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 10.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.405 ' O ' ' OD1' ' A' ' 86' ' ' ASN . . . -141.25 -113.85 1.05 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.484 1.115 . . . . 10.0 110.954 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.405 ' OD1' ' O ' ' A' ' 85' ' ' GLY . 4.5 m-20 -146.09 166.64 25.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 0.784 . . . . 10.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' A' ' 42' ' ' LEU . 6.2 m -107.63 -176.74 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 10.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.9 m -151.84 142.65 22.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 10.0 110.422 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.757 ' HB3' ' HA ' ' A' ' 40' ' ' GLU . . . -85.3 162.49 19.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 10.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.439 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 12.2 t0 -71.17 -96.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 10.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.439 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -136.16 8.85 3.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 10.0 109.276 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -157.47 26.31 0.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 10.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.66 ' CA ' ' HB1' ' A' ' 89' ' ' ALA . . . 97.89 -43.85 1.89 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.546 1.154 . . . . 10.0 110.986 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.481 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 20.5 t -38.37 102.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.468 0.746 . . . . 10.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.516 ' HB3' ' HB ' ' A' ' 35' ' ' ILE . . . -103.79 117.1 33.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 10.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.424 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 4.8 p-10 -98.07 150.45 21.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 10.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.403 ' C ' ' HA ' ' A' ' 32' ' ' TRP . 80.2 t -120.52 155.67 23.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 10.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.6 t -179.74 78.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 10.0 110.008 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.519 HG22 ' H ' ' A' ' 100' ' ' GLU . 9.6 mt -136.01 170.59 18.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.418 1.074 . . . . 10.0 109.35 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.519 ' H ' HG22 ' A' ' 99' ' ' ILE . 0.1 OUTLIER -127.15 104.89 8.21 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 10.0 110.278 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.469 ' O ' ' HA ' ' A' ' 28' ' ' PRO . 5.2 m-20 -84.95 111.0 19.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 10.0 109.275 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 83.6 p -91.46 9.88 30.03 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.532 1.145 . . . . 10.0 110.012 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.458 HG12 ' N ' ' A' ' 104' ' ' ILE . 25.4 t -104.41 -80.88 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.093 . . . . 10.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.458 ' N ' HG12 ' A' ' 103' ' ' VAL . 2.8 pp -53.99 164.31 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 10.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . 0.656 ' O ' HG23 ' A' ' 112' ' ' ILE . 0.3 OUTLIER -170.49 172.34 6.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 10.0 110.044 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.581 HD22 ' HB ' ' A' ' 2' ' ' THR . 3.5 mp -97.8 40.73 1.15 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 10.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 25.2 m -111.22 169.67 8.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 10.0 110.015 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -78.05 52.98 3.73 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.511 1.132 . . . . 10.0 110.983 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -153.12 -51.91 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 0.765 . . . . 10.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . 0.404 ' O ' ' O ' ' A' ' 111' ' ' SER . 25.4 m80 -95.6 -52.43 4.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 10.0 109.574 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.404 ' O ' ' O ' ' A' ' 110' ' ' HIS . 1.0 OUTLIER 54.74 106.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 10.0 110.021 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.786 HD12 ' CD2' ' A' ' 20' ' ' PHE . 0.6 OUTLIER -86.16 -34.64 8.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.163 . . . . 10.0 109.3 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 22.6 mm -41.17 130.9 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 10.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 93.96 -0.2 66.72 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.512 1.133 . . . . 10.0 110.976 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 2.6 mmm180 -92.11 59.26 3.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 0.745 . . . . 10.0 110.353 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.649 HG23 HG13 ' A' ' 118' ' ' VAL . 5.8 t -46.0 152.13 0.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 10.0 110.379 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.683 ' O ' HD11 ' A' ' 8' ' ' LEU . 0.7 OUTLIER -104.6 61.59 0.71 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 10.0 109.339 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.649 HG13 HG23 ' A' ' 116' ' ' THR . 22.0 m -71.32 171.7 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 10.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.837 HG21 HD11 ' A' ' 38' ' ' LEU . 5.5 m -141.43 158.51 22.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 10.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.519 ' CG ' ' HA3' ' A' ' 44' ' ' GLY . 7.6 m170 -84.97 169.8 13.67 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.465 1.103 . . . . 10.0 109.606 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.462 ' HA ' HD11 ' A' ' 144' ' ' LEU . 0.2 OUTLIER -81.65 -22.6 37.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 10.0 110.299 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.507 ' HB3' ' HB1' ' A' ' 140' ' ' ALA . 3.3 tmtt? -155.48 163.47 39.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 10.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -49.96 169.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 10.0 109.283 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.486 ' CB ' ' HA3' ' A' ' 138' ' ' GLY . 4.7 p-10 169.7 82.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 10.0 109.239 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 126' ' ' LEU . 0.2 OUTLIER 179.1 -41.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 10.0 109.321 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.57 HD11 HD22 ' A' ' 42' ' ' LEU . 0.3 OUTLIER -38.76 -54.75 1.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 10.0 109.302 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 117.76 74.1 0.48 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.516 1.135 . . . . 10.0 111.042 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 1.4 pttm -55.17 -23.57 22.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 0.779 . . . . 10.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 161.26 -28.67 0.3 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.51 1.131 . . . . 10.0 110.992 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 102.03 111.6 3.5 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.976 -0.85 . . . . 10.0 110.976 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . 0.545 ' O ' ' N ' ' A' ' 135' ' ' THR . 0.7 OUTLIER -145.88 151.26 37.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 0.754 . . . . 10.0 109.357 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -38.64 -29.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 10.0 110.347 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 131' ' ' ASN . 0.0 OUTLIER -90.01 -52.0 5.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 10.0 110.308 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . 0.425 ' HA ' ' N ' ' A' ' 138' ' ' GLY . 2.3 t -64.13 -51.15 65.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 10.0 109.963 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . 0.545 ' N ' ' O ' ' A' ' 131' ' ' ASN . 0.6 OUTLIER -45.16 -24.86 0.29 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 10.0 110.443 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.403 ' N ' ' C ' ' A' ' 134' ' ' SER . 0.6 OUTLIER -103.16 -30.26 10.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 10.0 109.306 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . 0.415 ' N ' ' O ' ' A' ' 134' ' ' SER . 75.9 p -137.41 -100.47 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 10.0 110.34 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . 0.486 ' HA3' ' CB ' ' A' ' 124' ' ' ASP . . . 173.17 39.64 0.04 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.511 1.132 . . . . 10.0 111.011 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 34.0 t-20 57.88 18.55 5.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 0.793 . . . . 10.0 109.274 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.507 ' HB1' ' HB3' ' A' ' 122' ' ' LYS . . . -155.14 68.83 0.7 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.429 1.08 . . . . 10.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -108.79 94.14 0.83 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.481 1.113 . . . . 10.0 111.023 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -151.5 78.39 1.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 0.785 . . . . 10.0 110.015 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . 0.62 ' O ' HD23 ' A' ' 144' ' ' LEU . 0.0 OUTLIER -44.99 157.76 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 10.0 110.33 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.62 HD23 ' O ' ' A' ' 143' ' ' ARG . 17.4 mt -144.75 154.0 42.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 10.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . 0.517 ' O ' HG12 ' A' ' 118' ' ' VAL . . . 54.88 168.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 10.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' CYS . . . . . 0.503 ' HA ' HG12 ' A' ' 118' ' ' VAL . 32.0 p -155.48 71.21 0.76 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.49 1.119 . . . . 10.0 108.254 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . 0.433 ' H ' HD13 ' A' ' 8' ' ' LEU . . . -51.59 -54.41 24.7 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.471 1.107 . . . . 10.0 110.986 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.531 HG22 ' HB ' ' A' ' 116' ' ' THR . 45.0 t 66.08 129.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.574 0.808 . . . . 10.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 149' ' ' ILE . . . . . 0.804 HD12 ' CD1' ' A' ' 20' ' ' PHE . 8.4 mm -78.73 120.44 29.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.119 . . . . 10.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -123.92 126.1 6.06 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.496 1.123 . . . . 10.0 110.995 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . 0.733 HD12 HG21 ' A' ' 2' ' ' THR . 19.2 mm -47.62 141.11 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.531 0.783 . . . . 10.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . 0.971 ' HB3' ' O ' ' A' ' 3' ' ' LYS . . . -138.31 170.81 15.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.159 . . . . 10.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 10.0 110.33 -179.997 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.428 ' CG2' HD22 ' A' ' 106' ' ' LEU . 8.5 m . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.371 -0.233 . . . . 10.0 110.371 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.405 ' HA ' ' O ' ' A' ' 20' ' ' PHE . 5.9 ttmt -103.8 110.78 23.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 10.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.638 ' HB1' HG22 ' A' ' 149' ' ' ILE . . . -114.78 170.3 8.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 10.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.633 HG22 ' HB2' ' A' ' 152' ' ' ALA . 0.0 OUTLIER -149.86 164.18 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 10.0 109.292 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.637 ' HB1' ' C ' ' A' ' 147' ' ' GLY . . . -150.89 106.29 3.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 10.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 73.2 t -84.36 91.04 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.122 . . . . 10.0 109.271 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.511 HD21 ' CG2' ' A' ' 18' ' ' ILE . 0.2 OUTLIER -42.11 138.37 1.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 10.0 109.242 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.8 tttt -178.17 127.41 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.113 . . . . 10.0 109.296 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 175.07 -92.56 0.09 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.473 1.108 . . . . 10.0 111.013 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -41.29 -56.73 2.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 0.734 . . . . 10.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.429 ' N ' ' CD ' ' A' ' 13' ' ' PRO . . . 151.69 -54.84 0.46 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.511 1.132 . . . . 10.0 111.034 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.461 ' O ' ' N ' ' A' ' 15' ' ' GLN . 18.3 Cg_endo -75.0 -56.1 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.479 1.779 . . . . 10.0 111.016 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 57.9 t -56.04 87.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 10.0 109.352 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' A' ' 13' ' ' PRO . 0.0 OUTLIER -132.09 52.51 2.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 10.0 110.325 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.424 ' N ' ' HB2' ' A' ' 8' ' ' LEU . . . -82.92 -168.45 42.9 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.52 1.137 . . . . 10.0 111.03 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.419 HG13 ' C ' ' A' ' 16' ' ' GLY . 71.4 mt -141.86 117.57 6.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 0.772 . . . . 10.0 109.255 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.979 HD12 ' N ' ' A' ' 19' ' ' ASN . 0.1 OUTLIER -113.0 129.56 68.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 10.0 109.31 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.979 ' N ' HD12 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -111.99 141.85 45.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 10.0 109.272 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.787 ' CZ ' HG11 ' A' ' 31' ' ' VAL . 1.9 m-85 -118.45 109.69 16.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.084 . . . . 10.0 110.985 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.479 ' HB2' ' CH2' ' A' ' 32' ' ' TRP . 1.7 tt0 -113.29 143.1 45.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 10.0 110.283 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.629 ' HG3' HG22 ' A' ' 29' ' ' VAL . 7.2 tt0 -155.65 77.78 0.98 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 10.0 110.311 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.0 mtpt -72.82 59.28 0.48 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 10.0 109.303 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.484 ' O ' ' CB ' ' A' ' 25' ' ' SER . 0.0 OUTLIER -155.62 -50.1 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 10.0 110.297 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.484 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 0.6 OUTLIER 84.35 -9.73 0.91 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.157 . . . . 10.0 110.037 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -161.09 28.05 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 10.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -131.94 -146.28 5.69 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.527 1.142 . . . . 10.0 110.993 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 136.01 19.81 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.519 1.799 . . . . 10.0 110.993 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.629 HG22 ' HG3' ' A' ' 22' ' ' GLN . 94.3 t -102.33 113.62 39.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 10.0 109.247 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 21' ' ' GLU . 15.2 mttt -79.52 95.11 5.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 10.0 109.258 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.787 HG11 ' CZ ' ' A' ' 20' ' ' PHE . 0.9 OUTLIER -101.39 132.58 46.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.565 1.166 . . . . 10.0 109.313 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.479 ' CH2' ' HB2' ' A' ' 21' ' ' GLU . 23.8 p90 -156.53 148.0 22.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 10.0 107.957 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.407 ' O ' ' HA ' ' A' ' 96' ' ' ASP . . . -166.61 -168.92 29.52 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.523 1.139 . . . . 10.0 110.978 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 65.7 p -155.89 120.19 4.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 0.739 . . . . 10.0 109.974 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.471 ' HB ' ' HB3' ' A' ' 95' ' ' ALA . 1.3 mp -87.78 159.86 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.143 . . . . 10.0 109.278 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.42 ' O ' ' O ' ' A' ' 13' ' ' PRO . 14.9 mttt -143.07 109.51 5.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 10.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.44 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 130.47 -26.12 4.16 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.484 1.115 . . . . 10.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.557 HD22 ' CD2' ' A' ' 43' ' ' HIS . 3.1 mt -55.21 -164.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 0.765 . . . . 10.0 109.279 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 41' ' ' GLY . 2.3 p -149.32 142.99 25.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 10.0 110.373 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.555 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 28.0 tt0 -43.44 95.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 10.0 110.31 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 39' ' ' THR . . . 165.48 177.93 38.18 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.44 1.088 . . . . 10.0 110.985 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.828 ' O ' ' HB2' ' A' ' 123' ' ' ALA . 2.1 mp -89.27 146.77 24.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 0.784 . . . . 10.0 109.345 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.557 ' CD2' HD22 ' A' ' 38' ' ' LEU . 2.7 m-70 -155.37 130.94 9.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 10.0 109.619 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.425 ' N ' ' HB2' ' A' ' 120' ' ' HIS . . . -42.36 154.96 0.13 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.474 1.109 . . . . 10.0 111.036 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.604 ' HB3' ' CD2' ' A' ' 46' ' ' HIS . 0.0 OUTLIER -164.36 144.23 7.72 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 0.769 . . . . 10.0 111.03 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.737 ' CE1' HD13 ' A' ' 117' ' ' LEU . 0.2 OUTLIER 56.94 159.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 10.0 109.637 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.571 HG23 ' C ' ' A' ' 46' ' ' HIS . 0.0 OUTLIER 49.91 176.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.54 1.15 . . . . 10.0 109.292 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.557 ' CG ' ' O ' ' A' ' 47' ' ' VAL . 4.6 m170 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 10.0 109.558 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 N-CA-C 111.029 -0.828 . . . . 10.0 111.029 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -62.81 140.68 58.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 0.768 . . . . 10.0 109.252 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.405 ' HG ' ' N ' ' A' ' 85' ' ' GLY . 38.2 tp -177.98 -92.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 10.0 109.331 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.405 ' N ' ' HG ' ' A' ' 84' ' ' LEU . . . 176.51 -154.95 17.71 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.518 1.137 . . . . 10.0 111.0 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -143.18 171.78 13.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 0.772 . . . . 10.0 109.294 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.431 ' C ' ' HG1' ' A' ' 88' ' ' THR . 3.0 m -118.2 -166.22 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 10.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.431 ' HG1' ' C ' ' A' ' 87' ' ' VAL . 42.1 m -155.23 145.01 21.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 10.0 110.416 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.555 ' HB3' ' HA ' ' A' ' 40' ' ' GLU . . . -85.08 164.94 17.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.56 1.162 . . . . 10.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.437 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 16.0 t0 -74.57 -98.64 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.456 1.098 . . . . 10.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.437 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 0.5 OUTLIER -137.49 10.04 2.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 10.0 109.296 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -148.6 19.91 1.04 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 10.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.546 ' CA ' ' HB1' ' A' ' 89' ' ' ALA . . . 95.29 -35.52 4.24 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.512 1.133 . . . . 10.0 111.04 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.464 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 25.6 t -41.39 103.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.52 0.776 . . . . 10.0 109.331 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.471 ' HB3' ' HB ' ' A' ' 35' ' ' ILE . . . -103.45 113.45 26.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 10.0 109.305 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.407 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 3.6 p-10 -110.02 148.42 31.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 10.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.419 ' CG1' HD12 ' A' ' 99' ' ' ILE . 36.3 t -117.29 161.26 16.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.09 . . . . 10.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.402 ' H ' HD12 ' A' ' 99' ' ' ILE . 0.3 OUTLIER -177.24 75.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 10.0 109.973 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.478 HG22 ' N ' ' A' ' 100' ' ' GLU . 3.6 mp -130.38 164.3 33.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 10.0 109.34 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.478 ' N ' HG22 ' A' ' 99' ' ' ILE . 1.4 mt-10 -122.48 94.58 4.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 10.0 110.306 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -85.84 122.74 30.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 10.0 109.259 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 71.2 p -103.33 -41.02 6.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.102 . . . . 10.0 110.003 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 65.0 t -42.97 -75.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 10.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.702 HD12 ' C ' ' A' ' 104' ' ' ILE . 1.8 pp -52.21 -179.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.107 . . . . 10.0 109.327 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -171.04 157.67 5.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 10.0 110.018 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.91 HD23 HG12 ' A' ' 113' ' ' ILE . 1.8 mp -99.07 46.07 0.99 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 10.0 109.36 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 109' ' ' ASP . 0.6 OUTLIER -143.19 179.08 7.28 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 10.0 109.935 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.03 80.6 0.02 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.44 1.088 . . . . 10.0 111.044 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 107' ' ' SER . 2.9 m-20 -179.07 -67.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 0.745 . . . . 10.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . 0.411 ' CB ' ' HA ' ' A' ' 104' ' ' ILE . 11.8 m80 -127.29 37.2 4.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 10.0 109.619 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 87.3 p -39.22 106.51 0.05 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 10.0 110.022 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.481 HG23 ' HB ' ' A' ' 104' ' ' ILE . 6.3 pt -84.95 -35.38 9.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 10.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.91 HG12 HD23 ' A' ' 106' ' ' LEU . 3.0 mm -41.73 112.32 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 10.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 122.43 4.84 8.86 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.494 1.121 . . . . 10.0 111.005 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.512 ' O ' ' CD2' ' A' ' 117' ' ' LEU . 4.2 mmm-85 -86.24 72.28 10.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 0.787 . . . . 10.0 110.295 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.636 HG23 HG13 ' A' ' 118' ' ' VAL . 14.5 t -38.06 148.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 10.0 110.392 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.737 HD13 ' CE1' ' A' ' 46' ' ' HIS . 0.1 OUTLIER -103.52 75.8 1.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 10.0 109.295 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 1.056 HG12 ' O ' ' A' ' 145' ' ' ALA . 33.8 m -93.88 125.75 46.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 10.0 109.303 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.579 HG22 ' CZ ' ' A' ' 45' ' ' PHE . 4.3 t -89.6 168.36 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 10.0 109.313 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.435 ' H ' HG12 ' A' ' 119' ' ' VAL . 1.0 OUTLIER -113.25 142.92 45.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 10.0 109.556 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.413 ' CB ' ' HA3' ' A' ' 141' ' ' GLY . 1.6 tt0 -50.84 -29.01 10.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 10.0 110.316 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -156.84 -176.62 6.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.138 . . . . 10.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.828 ' HB2' ' O ' ' A' ' 42' ' ' LEU . . . -81.72 173.13 12.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 10.0 109.292 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -117.3 94.47 4.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 10.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -52.23 -22.59 4.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 10.0 109.306 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 9.5 mt 60.5 14.78 5.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 10.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -93.05 -127.45 4.48 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.475 1.109 . . . . 10.0 110.995 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -142.95 43.13 1.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 0.746 . . . . 10.0 109.265 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -80.13 49.89 3.85 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.499 1.124 . . . . 10.0 110.986 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 152.69 -156.13 26.53 Favored Glycine 0 CA--C 1.531 1.04 0 N-CA-C 110.977 -0.849 . . . . 10.0 110.977 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -151.36 126.22 9.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 0.779 . . . . 10.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 69.75 6.74 5.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 10.0 110.265 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -130.27 -67.37 0.74 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.159 . . . . 10.0 110.291 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 58.4 m -73.94 -20.15 60.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 10.0 110.011 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 82.8 p -70.82 -20.52 62.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 10.0 110.419 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.87 ' HG3' HG23 ' A' ' 137' ' ' THR . 2.2 pttt -106.92 -34.05 7.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 10.0 109.265 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . 0.87 HG23 ' HG3' ' A' ' 136' ' ' LYS . 31.7 p -122.97 -89.31 0.6 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 10.0 110.432 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 156.5 46.27 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.429 1.081 . . . . 10.0 110.983 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 64.24 14.28 8.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 0.768 . . . . 10.0 109.286 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -47.1 -68.99 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 10.0 109.343 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . 0.413 ' HA3' ' CB ' ' A' ' 121' ' ' GLU . . . 148.28 -96.27 0.17 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.507 1.129 . . . . 10.0 111.006 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . 0.577 ' O ' HD23 ' A' ' 144' ' ' LEU . 1.1 t -163.6 161.83 24.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 0.768 . . . . 10.0 109.998 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.81 123.2 25.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 10.0 110.308 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.693 ' O ' ' HB3' ' A' ' 145' ' ' ALA . 0.4 OUTLIER -123.6 148.39 46.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.45 1.094 . . . . 10.0 109.283 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . 1.056 ' O ' HG12 ' A' ' 118' ' ' VAL . . . 83.77 168.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 10.0 109.349 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' CYS . . . . . 0.409 ' HA ' ' OG1' ' A' ' 116' ' ' THR . 26.1 p -155.86 71.34 0.74 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 10.0 108.344 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . 0.637 ' C ' ' HB1' ' A' ' 6' ' ' ALA . . . -83.62 64.61 4.27 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.515 1.134 . . . . 10.0 111.036 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 41.6 t -62.46 121.31 10.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.517 0.775 . . . . 10.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 149' ' ' ILE . . . . . 0.697 ' H ' HD12 ' A' ' 149' ' ' ILE . 3.8 mp -68.91 114.68 6.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 10.0 109.292 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -122.69 138.55 11.91 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.537 1.148 . . . . 10.0 110.993 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 25.3 mm -46.99 137.29 2.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.522 0.778 . . . . 10.0 109.283 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . 0.633 ' HB2' HG22 ' A' ' 5' ' ' VAL . . . -96.1 168.79 10.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 10.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 10.0 110.294 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.549 HG23 ' CD1' ' A' ' 151' ' ' ILE . 2.2 m . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.391 -0.226 . . . . 10.0 110.391 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.7 ttmt -156.05 89.98 1.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 10.0 109.325 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.852 ' HB3' ' HB2' ' A' ' 20' ' ' PHE . . . -84.48 161.76 20.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 10.0 109.274 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.6 t -146.29 158.87 11.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 10.0 109.242 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.809 ' HB1' ' O ' ' A' ' 147' ' ' GLY . . . -155.12 92.67 1.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 10.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 7' ' ' VAL . 27.3 m -82.88 107.58 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 10.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.548 HD22 ' HA3' ' A' ' 147' ' ' GLY . 1.6 mm? -53.11 159.92 1.14 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 10.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.494 ' CB ' ' O ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER 163.93 106.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 10.0 109.274 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -156.38 -89.58 0.07 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.469 1.106 . . . . 10.0 110.976 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.907 ' HB2' HD12 ' A' ' 144' ' ' LEU . 31.7 t0 -43.23 -65.5 0.48 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 0.78 . . . . 10.0 109.257 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 170.17 -62.79 0.17 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.484 1.115 . . . . 10.0 111.03 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.456 ' O ' ' N ' ' A' ' 15' ' ' GLN . 18.1 Cg_endo -75.03 -40.64 0.83 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.478 1.778 . . . . 10.0 110.981 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.638 ' O ' HG12 ' A' ' 14' ' ' VAL . 2.2 t -53.62 90.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 10.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 13' ' ' PRO . 0.0 OUTLIER -119.82 45.29 2.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 10.0 110.278 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.492 ' N ' ' HB2' ' A' ' 8' ' ' LEU . . . -56.6 164.34 5.6 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.515 1.134 . . . . 10.0 111.02 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 55.0 mt -141.37 101.35 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.488 0.758 . . . . 10.0 109.313 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.991 HD12 ' N ' ' A' ' 19' ' ' ASN . 0.1 OUTLIER -110.62 130.79 63.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 10.0 109.331 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.991 ' N ' HD12 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -122.17 146.77 46.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 10.0 109.329 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.852 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 2.8 m-85 -113.62 134.09 54.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 10.0 110.987 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.407 ' O ' ' HA ' ' A' ' 29' ' ' VAL . 12.6 mm-40 -124.91 128.97 49.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 10.0 110.261 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.528 ' OE1' HG21 ' A' ' 2' ' ' THR . 1.3 tt0 -155.13 60.0 0.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 10.0 110.325 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -76.94 65.71 2.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 10.0 109.307 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.512 ' O ' ' CB ' ' A' ' 25' ' ' SER . 0.0 OUTLIER -152.59 -45.28 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 10.0 110.313 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.512 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 1.6 t 85.77 -14.18 0.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 10.0 110.019 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 17.4 p30 -154.79 24.18 0.45 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 10.0 109.32 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -118.74 -159.24 11.03 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.498 1.124 . . . . 10.0 111.006 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.434 ' HA ' ' O ' ' A' ' 101' ' ' ASP . 18.2 Cg_endo -75.02 166.37 29.33 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.481 1.779 . . . . 10.0 111.003 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.462 ' O ' HG23 ' A' ' 31' ' ' VAL . 13.2 t -123.47 89.51 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 10.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.5 mttt -60.53 93.32 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 10.0 109.253 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 29' ' ' VAL . 55.2 t -96.6 128.93 47.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 10.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 3.2 p90 -157.18 144.02 18.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 10.0 107.999 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -158.79 -171.63 24.86 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.501 1.126 . . . . 10.0 111.027 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.4 p -156.94 122.29 4.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 0.748 . . . . 10.0 109.979 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.691 ' HB ' ' HB3' ' A' ' 95' ' ' ALA . 1.1 mp -85.11 160.38 3.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 10.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.449 ' HG2' ' O ' ' A' ' 35' ' ' ILE . 22.1 mttt -147.37 92.87 2.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 10.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.44 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 153.4 -36.54 0.75 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.473 1.108 . . . . 10.0 110.991 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.561 ' CD2' HG22 ' A' ' 14' ' ' VAL . 0.4 OUTLIER -53.63 -168.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 0.739 . . . . 10.0 109.31 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 40' ' ' GLU . 4.8 p -144.34 131.51 20.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 10.0 110.403 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.739 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 5.3 pt-20 -37.45 110.12 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 10.0 110.341 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 153.05 161.14 10.11 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.489 1.118 . . . . 10.0 111.007 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.76 164.04 0.62 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 0.763 . . . . 10.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.401 ' N ' ' O ' ' A' ' 87' ' ' VAL . 95.6 m-70 -149.37 155.77 41.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 10.0 109.573 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.481 ' CA ' ' HB2' ' A' ' 120' ' ' HIS . . . -59.31 -152.63 0.01 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.469 1.105 . . . . 10.0 110.962 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.597 ' CE2' ' OD1' ' A' ' 86' ' ' ASN . 4.5 m-85 -107.74 161.14 15.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 0.775 . . . . 10.0 111.0 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.736 ' C ' HG23 ' A' ' 47' ' ' VAL . 0.2 OUTLIER -106.2 176.36 5.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 10.0 109.558 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.736 HG23 ' C ' ' A' ' 46' ' ' HIS . 2.6 t 84.35 126.37 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 10.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.981 ' CD2' HG21 ' A' ' 118' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 10.0 109.573 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 110.999 -0.84 . . . . 10.0 110.999 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -50.05 160.9 0.3 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 0.775 . . . . 10.0 109.306 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.514 HD13 ' N ' ' A' ' 85' ' ' GLY . 3.3 tm? -142.85 -82.96 0.18 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.514 1.134 . . . . 10.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.514 ' N ' HD13 ' A' ' 84' ' ' LEU . . . -163.21 171.79 39.03 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.507 1.129 . . . . 10.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.597 ' OD1' ' CE2' ' A' ' 45' ' ' PHE . 48.8 m-20 -92.64 129.83 38.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 0.753 . . . . 10.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.741 HG21 HG12 ' A' ' 119' ' ' VAL . 14.0 m -98.24 169.41 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 10.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 3.8 m -139.1 148.05 42.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 10.0 110.376 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.739 ' HB3' ' HA ' ' A' ' 40' ' ' GLU . . . -84.63 170.68 13.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 10.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.455 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 13.3 t0 -74.11 -97.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 10.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.455 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 37.3 pttt -136.83 8.12 3.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 10.0 109.322 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -156.06 24.4 0.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 10.0 109.337 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.591 ' CA ' ' HB1' ' A' ' 89' ' ' ALA . . . 98.89 -43.88 1.79 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.494 1.121 . . . . 10.0 110.994 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.461 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 32.1 t -39.41 103.24 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.485 0.756 . . . . 10.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.691 ' HB3' ' HB ' ' A' ' 35' ' ' ILE . . . -98.55 112.63 24.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 10.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -96.21 148.33 22.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 10.0 109.339 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 21.6 t -120.1 149.99 22.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 10.0 109.262 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 42.2 p -168.34 95.59 0.39 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.457 1.098 . . . . 10.0 109.972 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -139.33 119.49 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 10.0 109.359 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -112.51 81.97 1.57 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 10.0 110.325 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.434 ' O ' ' HA ' ' A' ' 28' ' ' PRO . 1.0 OUTLIER -91.32 152.74 20.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.412 1.07 . . . . 10.0 109.262 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 24.6 p -131.9 65.1 1.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 10.0 110.012 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 80.5 t -150.89 -46.71 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.096 . . . . 10.0 109.327 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.654 HG13 HG21 ' A' ' 112' ' ' ILE . 0.2 OUTLIER -68.28 177.51 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 10.0 109.313 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.7 m -167.41 119.6 0.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 10.0 109.99 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.667 ' HG ' HD11 ' A' ' 112' ' ' ILE . 3.2 mp -49.79 -37.27 29.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 10.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.3 m -125.55 140.65 52.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 10.0 109.994 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 132.54 -89.71 0.27 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.499 1.124 . . . . 10.0 110.95 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -138.47 -47.33 0.51 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 0.78 . . . . 10.0 109.275 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 3.2 m80 -85.4 55.84 3.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 10.0 109.608 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 96.2 p -60.5 111.48 1.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 10.0 109.984 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.667 HD11 ' HG ' ' A' ' 106' ' ' LEU . 8.6 pt -84.74 -21.88 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 10.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 3.7 mt -58.68 141.39 15.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.54 1.15 . . . . 10.0 109.25 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 112.26 -7.39 26.83 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.511 1.132 . . . . 10.0 111.03 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.905 ' O ' HD12 ' A' ' 149' ' ' ILE . 11.5 mmt180 -87.02 164.98 16.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 0.776 . . . . 10.0 110.275 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.86 HG23 HG23 ' A' ' 118' ' ' VAL . 2.2 t -153.94 126.62 8.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 10.0 110.418 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.865 HD12 HG13 ' A' ' 119' ' ' VAL . 0.1 OUTLIER -72.7 74.12 1.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 10.0 109.278 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.981 HG21 ' CD2' ' A' ' 48' ' ' HIS . 19.6 t -84.13 70.84 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 10.0 109.304 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.865 HG13 HD12 ' A' ' 117' ' ' LEU . 1.2 m -50.05 133.98 9.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 10.0 109.344 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.527 ' CE1' ' CA ' ' A' ' 141' ' ' GLY . 4.0 m170 -84.48 134.96 34.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 10.0 109.581 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -46.4 -64.75 0.68 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 10.0 110.33 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 3.7 mttt -100.98 -178.27 3.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 10.0 109.339 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -89.76 -178.26 5.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 10.0 109.295 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.433 ' OD2' ' CE1' ' A' ' 45' ' ' PHE . 1.4 m-20 -133.86 95.85 3.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 10.0 109.267 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.26 -21.27 5.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 10.0 109.337 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.567 HD11 ' HZ ' ' A' ' 45' ' ' PHE . 7.6 mt 61.36 19.3 10.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 10.0 109.338 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 178.61 91.97 0.08 OUTLIER Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.505 1.128 . . . . 10.0 111.006 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -121.3 -42.79 2.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 0.743 . . . . 10.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -178.68 36.63 0.08 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.448 1.093 . . . . 10.0 111.004 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 41.7 92.21 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.033 -0.827 . . . . 10.0 111.033 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . 0.615 ' C ' HG23 ' A' ' 135' ' ' THR . 2.4 t30 -141.51 148.43 39.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 0.753 . . . . 10.0 109.275 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 131' ' ' ASN . 0.9 OUTLIER -37.81 -29.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 10.0 110.259 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . 0.478 ' N ' ' O ' ' A' ' 131' ' ' ASN . 0.0 OUTLIER -91.71 -43.47 9.56 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.554 1.159 . . . . 10.0 110.313 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 131' ' ' ASN . 0.0 OUTLIER -70.7 -50.73 33.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 10.0 110.039 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . 0.615 HG23 ' C ' ' A' ' 131' ' ' ASN . 41.0 p -35.6 -36.27 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 10.0 110.423 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 134' ' ' SER . 32.3 pttt -101.9 -41.43 6.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 10.0 109.29 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . 0.428 ' C ' ' HA ' ' A' ' 134' ' ' SER . 61.9 p -133.68 -106.61 0.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 10.0 110.409 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . 0.434 ' CA ' ' HA ' ' A' ' 134' ' ' SER . . . -144.82 -66.41 0.02 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.513 1.133 . . . . 10.0 110.977 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 10.1 p-10 169.84 42.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 0.792 . . . . 10.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 142' ' ' SER . . . -146.12 -52.47 0.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 10.0 109.29 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . 0.527 ' CA ' ' CE1' ' A' ' 120' ' ' HIS . . . -40.57 94.75 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.512 1.133 . . . . 10.0 110.976 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 140' ' ' ALA . 0.4 OUTLIER -127.68 11.79 6.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 0.729 . . . . 10.0 109.999 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . 0.711 ' O ' HD22 ' A' ' 144' ' ' LEU . 2.1 mpt_? 62.02 138.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 10.0 110.331 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.907 HD12 ' HB2' ' A' ' 11' ' ' ASP . 1.8 mm? -127.97 -96.79 0.4 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 10.0 109.345 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . 0.907 ' O ' HG13 ' A' ' 118' ' ' VAL . . . -64.99 175.1 1.65 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.103 . . . . 10.0 109.323 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' CYS . . . . . 0.552 ' HA ' HG22 ' A' ' 118' ' ' VAL . 0.8 OUTLIER -154.32 69.74 0.78 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 10.0 108.273 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . 0.809 ' O ' ' HB1' ' A' ' 6' ' ' ALA . . . -79.3 68.3 3.16 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.496 1.123 . . . . 10.0 111.009 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.473 ' CG2' ' HB ' ' A' ' 116' ' ' THR . 2.3 t -59.1 127.11 17.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.491 0.759 . . . . 10.0 109.348 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 149' ' ' ILE . . . . . 0.905 HD12 ' O ' ' A' ' 115' ' ' ARG . 1.0 OUTLIER -81.22 123.64 37.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 10.0 109.291 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -140.75 139.37 9.61 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.515 1.135 . . . . 10.0 111.02 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . 0.549 ' CD1' HG23 ' A' ' 2' ' ' THR . 13.8 mm -46.46 145.05 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.543 0.79 . . . . 10.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -136.42 172.14 13.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 10.0 109.294 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 10.0 110.267 -179.968 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.884 HG22 HD12 ' A' ' 151' ' ' ILE . 1.4 m . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.405 -0.22 . . . . 10.0 110.405 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -99.92 128.65 45.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 10.0 109.344 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.83 ' HB3' ' HB2' ' A' ' 20' ' ' PHE . . . -107.88 162.08 14.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 10.0 109.337 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.785 HG22 ' HB2' ' A' ' 152' ' ' ALA . 0.0 OUTLIER -140.12 141.91 32.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 10.0 109.306 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.82 ' HB3' HG23 ' A' ' 18' ' ' ILE . . . -137.07 106.63 6.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 10.0 109.266 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 7' ' ' VAL . 19.5 m -82.48 90.35 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 10.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.783 HD22 ' HA3' ' A' ' 147' ' ' GLY . 1.5 mm? -37.79 135.43 0.63 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.578 1.174 . . . . 10.0 109.345 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.27 -54.57 6.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 10.0 109.268 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.407 ' HA3' ' O ' ' A' ' 14' ' ' VAL . . . 76.9 120.29 0.18 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.44 1.088 . . . . 10.0 111.029 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -57.8 -20.9 38.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 0.763 . . . . 10.0 109.259 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -176.43 -67.34 0.06 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.49 1.118 . . . . 10.0 111.035 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.435 ' HB2' ' CA ' ' A' ' 37' ' ' GLY . 18.4 Cg_endo -74.97 -60.97 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.487 1.782 . . . . 10.0 111.038 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.71 HG11 ' HB2' ' A' ' 145' ' ' ALA . 21.8 t -38.73 145.11 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.47 1.106 . . . . 10.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 171.85 65.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 10.0 110.328 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.478 ' C ' ' CG1' ' A' ' 17' ' ' ILE . . . -107.46 -153.0 18.27 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.434 1.084 . . . . 10.0 110.986 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.478 ' CG1' ' C ' ' A' ' 16' ' ' GLY . 1.0 OUTLIER -153.25 126.13 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 0.768 . . . . 10.0 109.307 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.898 HG21 HD13 ' A' ' 117' ' ' LEU . 0.0 OUTLIER -123.26 126.52 73.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.15 . . . . 10.0 109.276 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.441 ' HA ' ' O ' ' A' ' 4' ' ' ALA . 0.1 OUTLIER -111.04 158.11 19.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 10.0 109.337 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.83 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 1.7 m-85 -130.88 91.14 3.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 10.0 111.02 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 30' ' ' LYS . 16.6 tt0 -105.81 141.77 36.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 10.0 110.286 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.449 ' HB2' HG13 ' A' ' 29' ' ' VAL . 0.1 OUTLIER -131.95 59.55 1.7 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 10.0 110.283 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.96 63.54 0.48 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 10.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -144.25 169.77 17.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 10.0 110.307 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.1 m -71.28 56.75 0.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 10.0 109.996 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 65.27 26.05 12.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 10.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -84.05 -138.39 3.75 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.505 1.128 . . . . 10.0 110.992 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.4 ' HA ' ' HA ' ' A' ' 102' ' ' SER . 18.2 Cg_endo -74.97 151.34 39.55 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.472 1.775 . . . . 10.0 110.99 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.739 ' HB ' HD11 ' A' ' 104' ' ' ILE . 41.8 t -92.59 133.7 33.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 10.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 21' ' ' GLU . 6.7 mttt -77.85 95.51 4.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 10.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.806 HG22 ' CE2' ' A' ' 20' ' ' PHE . 89.7 t -89.53 119.82 37.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 10.0 109.33 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -159.02 148.52 18.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 10.0 108.044 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.443 ' HA3' ' HA ' ' A' ' 18' ' ' ILE . . . -173.95 -159.49 20.48 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.521 1.138 . . . . 10.0 110.969 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.422 ' O ' ' HA3' ' A' ' 16' ' ' GLY . 0.1 OUTLIER -152.93 150.71 29.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 0.786 . . . . 10.0 109.998 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.951 HG21 HG11 ' A' ' 119' ' ' VAL . 1.2 mt -143.83 99.83 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 10.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.908 ' CB ' HG22 ' A' ' 94' ' ' VAL . 3.5 ptpt -105.13 120.29 41.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 10.0 109.313 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.435 ' CA ' ' HB2' ' A' ' 13' ' ' PRO . . . 164.32 -39.66 0.31 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.47 1.106 . . . . 10.0 110.998 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.64 HD11 HG21 ' A' ' 119' ' ' VAL . 3.4 mp -68.76 -130.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 0.773 . . . . 10.0 109.252 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.613 HG23 ' O ' ' A' ' 38' ' ' LEU . 3.0 p -157.55 141.19 15.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 10.0 110.405 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.881 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -40.24 110.17 0.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 10.0 110.304 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 168.95 -176.06 43.22 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.522 1.139 . . . . 10.0 110.992 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.636 HD23 HD11 ' A' ' 126' ' ' LEU . 9.5 mp -77.7 152.17 33.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.551 0.795 . . . . 10.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.501 ' HB2' HG23 ' A' ' 87' ' ' VAL . 23.1 m-70 -148.47 146.9 28.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 10.0 109.599 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -60.39 -161.91 0.11 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.485 1.115 . . . . 10.0 111.045 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -105.73 167.68 9.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 0.768 . . . . 10.0 111.039 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.489 ' CB ' ' HG ' ' A' ' 117' ' ' LEU . 7.2 p80 -99.27 77.89 2.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 10.0 109.588 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 4.7 t -149.81 134.11 9.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 10.0 109.285 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 10.0 109.592 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.983 -0.847 . . . . 10.0 110.983 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -151.67 -167.64 2.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 0.756 . . . . 10.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -171.01 -59.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 10.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.42 ' C ' ' OD1' ' A' ' 86' ' ' ASN . . . -122.05 -162.58 11.64 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.528 1.142 . . . . 10.0 110.983 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.42 ' OD1' ' C ' ' A' ' 85' ' ' GLY . 2.5 m-20 -140.02 132.5 28.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 0.759 . . . . 10.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.501 HG23 ' HB2' ' A' ' 43' ' ' HIS . 14.4 m -108.16 135.55 46.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 10.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 98.8 m -107.8 144.59 34.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 10.0 110.344 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.881 ' HB3' ' HA ' ' A' ' 40' ' ' GLU . . . -84.99 168.19 15.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 10.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.441 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 9.0 t0 -83.13 -95.48 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 10.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.441 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 15.2 pttt -138.15 12.42 2.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 10.0 109.319 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -153.54 24.33 0.52 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.455 1.097 . . . . 10.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.544 ' CA ' ' HB1' ' A' ' 89' ' ' ALA . . . 87.26 -17.17 44.48 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.45 1.094 . . . . 10.0 110.973 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.908 HG22 ' CB ' ' A' ' 36' ' ' LYS . 21.3 t -53.63 90.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 0.768 . . . . 10.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 93' ' ' GLY . . . -95.25 119.6 34.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.163 . . . . 10.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.406 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 1.5 p30 -113.2 151.13 31.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 10.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.71 ' CG1' HD12 ' A' ' 99' ' ' ILE . 21.5 t -118.96 170.95 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 10.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.536 ' N ' HG12 ' A' ' 97' ' ' VAL . 52.8 p -176.97 83.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.574 1.171 . . . . 10.0 109.974 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.71 HD12 ' CG1' ' A' ' 97' ' ' VAL . 2.9 mt -135.93 167.67 24.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 10.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.532 ' N ' HG22 ' A' ' 99' ' ' ILE . 0.3 OUTLIER -123.59 95.8 4.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 10.0 110.316 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.444 ' HB2' ' CG1' ' A' ' 104' ' ' ILE . 8.2 m-20 -85.76 134.03 33.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 10.0 109.263 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.4 ' HA ' ' HA ' ' A' ' 28' ' ' PRO . 9.3 p -110.01 -21.76 12.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 10.0 110.03 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 50.9 t -72.8 -7.72 10.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 10.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.892 HD13 HG21 ' A' ' 112' ' ' ILE . 2.3 pp -118.48 166.46 12.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 10.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . 0.745 ' O ' HG23 ' A' ' 112' ' ' ILE . 8.2 t -160.39 162.82 33.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 10.0 110.008 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.977 HD12 HD11 ' A' ' 151' ' ' ILE . 2.2 mm? -71.82 -42.17 67.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 10.0 109.327 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -144.04 159.61 42.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 10.0 109.984 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 130.77 -100.33 0.46 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.486 1.116 . . . . 10.0 110.98 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.91 -43.59 2.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 0.781 . . . . 10.0 109.342 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 22.5 m80 -104.11 66.92 0.84 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 10.0 109.599 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 82.6 p -66.22 137.0 56.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 10.0 110.014 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.892 HG21 HD13 ' A' ' 104' ' ' ILE . 2.1 pp -85.15 -17.4 9.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 10.0 109.298 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.486 HD11 HG12 ' A' ' 151' ' ' ILE . 9.6 mm -67.58 107.98 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 10.0 109.272 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 123.48 -0.58 9.48 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.453 1.096 . . . . 10.0 110.995 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 9.7 mmm180 -84.92 67.25 10.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 0.781 . . . . 10.0 110.27 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.587 HG22 ' O ' ' A' ' 116' ' ' THR . 0.3 OUTLIER -39.35 104.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 10.0 110.405 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.898 HD13 HG21 ' A' ' 18' ' ' ILE . 5.1 tt -78.81 116.46 19.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 10.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.427 ' HB ' ' O ' ' A' ' 145' ' ' ALA . 0.9 OUTLIER -135.71 128.31 46.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 10.0 109.302 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.951 HG11 HG21 ' A' ' 35' ' ' ILE . 4.9 m -75.53 150.39 6.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 10.0 109.356 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.546 ' CG ' ' OD2' ' A' ' 124' ' ' ASP . 2.5 m-70 -84.56 127.67 34.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 10.0 109.656 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -38.46 -52.84 1.57 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 10.0 110.341 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.462 ' HB3' ' CB ' ' A' ' 140' ' ' ALA . 6.8 tmtt? -139.73 161.8 36.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 10.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -47.4 142.7 3.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 10.0 109.273 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.546 ' OD2' ' CG ' ' A' ' 120' ' ' HIS . 0.6 OUTLIER -153.38 87.31 1.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 10.0 109.301 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 126' ' ' LEU . 0.1 OUTLIER 177.02 -39.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 10.0 109.262 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.636 HD11 HD23 ' A' ' 42' ' ' LEU . 0.3 OUTLIER -39.13 -54.4 1.75 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 10.0 109.271 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 110.12 63.13 0.52 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.472 1.108 . . . . 10.0 111.038 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.422 ' HE2' ' ND2' ' A' ' 139' ' ' ASN . 2.8 pttp -54.31 -20.43 7.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 0.752 . . . . 10.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 155.67 -23.3 0.55 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.523 1.14 . . . . 10.0 110.983 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . 0.463 ' HA2' ' CB ' ' A' ' 134' ' ' SER . . . 57.85 96.68 0.01 OUTLIER Glycine 0 CA--C 1.531 1.036 0 N-CA-C 111.008 -0.837 . . . . 10.0 111.008 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . 0.462 ' O ' ' N ' ' A' ' 133' ' ' GLN . 38.6 m-80 -155.44 104.8 2.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 0.792 . . . . 10.0 109.339 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 131' ' ' ASN . 1.6 mp0 37.26 31.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 10.0 110.289 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 131' ' ' ASN . 0.1 OUTLIER -160.9 -61.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 10.0 110.281 -179.939 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . 0.463 ' CB ' ' HA2' ' A' ' 130' ' ' GLY . 1.6 m -91.3 -21.21 21.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 10.0 110.039 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . 0.454 ' N ' ' HA2' ' A' ' 130' ' ' GLY . 6.6 t -65.27 -23.99 67.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 10.0 110.382 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 7.9 mttt -107.48 -32.9 7.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 10.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . 0.428 ' OG1' ' N ' ' A' ' 138' ' ' GLY . 81.3 p -137.34 -100.5 0.19 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 10.0 110.408 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . 0.481 ' HA3' ' CB ' ' A' ' 124' ' ' ASP . . . -174.71 43.89 0.13 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.523 1.139 . . . . 10.0 111.008 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' ASN . . . . . 0.422 ' ND2' ' HE2' ' A' ' 128' ' ' LYS . 54.3 t30 43.03 30.16 0.24 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 0.765 . . . . 10.0 109.309 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.462 ' CB ' ' HB3' ' A' ' 122' ' ' LYS . . . -159.53 42.31 0.22 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 10.0 109.287 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . 0.458 ' HA2' ' CE1' ' A' ' 120' ' ' HIS . . . -107.27 104.24 2.1 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.553 1.158 . . . . 10.0 111.005 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 1.8 t -162.31 94.6 0.9 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 0.774 . . . . 10.0 110.005 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.19 128.81 6.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 10.0 110.25 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.1 mp -120.51 -67.75 0.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 10.0 109.301 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . 0.71 ' HB2' HG11 ' A' ' 14' ' ' VAL . . . -77.42 175.64 9.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 10.0 109.265 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' CYS . . . . . 0.407 ' O ' ' SG ' ' A' ' 146' ' ' CYS . 2.1 t -157.77 72.83 0.67 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 10.0 108.32 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . 0.783 ' HA3' HD22 ' A' ' 8' ' ' LEU . . . -89.48 69.74 2.49 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.521 1.138 . . . . 10.0 110.969 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.522 HG23 ' OG1' ' A' ' 116' ' ' THR . 2.7 t -57.86 118.36 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.517 0.775 . . . . 10.0 109.262 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 149' ' ' ILE . . . . . 0.674 HG21 ' CD1' ' A' ' 20' ' ' PHE . 2.2 mp -70.88 133.7 31.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 10.0 109.272 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -148.88 130.42 3.38 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.492 1.12 . . . . 10.0 110.972 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . 0.977 HD11 HD12 ' A' ' 106' ' ' LEU . 22.7 mm -42.95 155.92 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.521 0.777 . . . . 10.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . 0.785 ' HB2' HG22 ' A' ' 5' ' ' VAL . . . -113.34 175.94 5.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 10.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 10.0 110.298 -179.996 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.724 HG21 HG23 ' A' ' 151' ' ' ILE . 82.4 m . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 110.405 -0.22 . . . . 10.0 110.405 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.501 ' H ' HG22 ' A' ' 2' ' ' THR . 5.9 tmtt? -112.83 94.83 5.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 10.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.599 ' HB1' HG23 ' A' ' 149' ' ' ILE . . . -84.4 154.92 22.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 10.0 109.273 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.615 HG23 ' CB ' ' A' ' 152' ' ' ALA . 11.1 t -131.06 155.68 42.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 10.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.738 ' HB1' ' O ' ' A' ' 147' ' ' GLY . . . -155.47 89.14 1.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 10.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.439 ' O ' HG13 ' A' ' 7' ' ' VAL . 7.4 p -84.31 108.79 16.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 10.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.55 HD22 ' HA3' ' A' ' 147' ' ' GLY . 0.2 OUTLIER -54.89 137.57 45.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 10.0 109.304 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.2 tttt -173.29 116.46 0.27 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 10.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -172.3 -84.43 0.06 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.527 1.142 . . . . 10.0 111.001 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -42.46 -41.98 3.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.438 0.728 . . . . 10.0 109.301 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 132.27 -58.85 0.69 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.468 1.105 . . . . 10.0 111.012 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -32.63 5.21 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.477 1.777 . . . . 10.0 110.973 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.47 ' O ' HG12 ' A' ' 14' ' ' VAL . 2.5 t -71.34 99.02 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 10.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -122.26 41.63 3.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 10.0 110.289 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.469 ' CA ' ' HA ' ' A' ' 35' ' ' ILE . . . -56.71 163.41 6.26 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.526 1.141 . . . . 10.0 111.026 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.439 HG12 HG23 ' A' ' 7' ' ' VAL . 59.2 mt -139.15 101.09 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.499 0.764 . . . . 10.0 109.261 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.768 HD11 ' CE1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -125.45 136.7 60.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.543 1.152 . . . . 10.0 109.31 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.41 ' ND2' HG13 ' A' ' 5' ' ' VAL . 0.1 OUTLIER -123.61 169.71 11.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 10.0 109.309 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.768 ' CE1' HD11 ' A' ' 18' ' ' ILE . 4.2 m-85 -138.39 98.5 3.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.418 1.074 . . . . 10.0 110.973 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 30' ' ' LYS . 44.9 tt0 -117.5 135.86 53.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 10.0 110.341 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.679 ' HB2' HG22 ' A' ' 29' ' ' VAL . 3.6 tt0 -137.22 59.38 1.68 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 10.0 110.278 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -76.47 66.15 2.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 10.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.507 ' O ' ' CB ' ' A' ' 25' ' ' SER . 20.7 mm-40 -127.92 -53.18 1.32 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.142 . . . . 10.0 110.287 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.507 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 0.7 OUTLIER 85.69 -16.93 0.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 10.0 110.03 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 51.5 p30 -154.48 23.64 0.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 10.0 109.279 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -133.52 -175.9 14.15 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.464 1.103 . . . . 10.0 111.013 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.442 ' HA ' ' HA ' ' A' ' 102' ' ' SER . 18.3 Cg_endo -75.0 170.07 21.23 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.503 1.791 . . . . 10.0 111.003 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.679 HG22 ' HB2' ' A' ' 22' ' ' GLN . 84.1 t -93.84 130.39 42.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 10.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 21' ' ' GLU . 8.2 mttt -75.72 98.0 3.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 10.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.626 HG22 ' CE2' ' A' ' 20' ' ' PHE . 95.1 t -101.8 115.41 43.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 10.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.416 ' HA ' ' O ' ' A' ' 97' ' ' VAL . 1.2 p90 -152.08 155.15 37.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 10.0 107.999 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.43 ' O ' ' HA ' ' A' ' 96' ' ' ASP . . . -176.84 -173.92 42.84 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.456 1.097 . . . . 10.0 110.952 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 59.8 p -156.7 120.3 4.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 0.779 . . . . 10.0 110.036 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.665 HG21 HD13 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -83.25 163.83 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 10.0 109.252 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.504 ' CG ' ' O ' ' A' ' 35' ' ' ILE . 8.0 mttt -157.32 106.33 2.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 10.0 109.277 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 144.81 -45.31 0.85 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.525 1.141 . . . . 10.0 110.98 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.84 HD11 HG11 ' A' ' 119' ' ' VAL . 0.5 OUTLIER -53.06 -171.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 0.776 . . . . 10.0 109.303 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.524 ' O ' ' CE1' ' A' ' 43' ' ' HIS . 1.9 p -132.01 134.61 45.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 10.0 110.413 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.861 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 15.2 pt-20 -37.57 123.01 0.97 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 10.0 110.291 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 147.27 -157.91 27.55 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.474 1.109 . . . . 10.0 111.031 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.785 HD23 ' ND2' ' A' ' 86' ' ' ASN . 9.5 mp -77.19 147.41 36.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 0.786 . . . . 10.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.642 ' CG ' HD22 ' A' ' 38' ' ' LEU . 55.6 m-70 -147.15 114.61 6.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 10.0 109.581 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.443 ' CA ' ' HB2' ' A' ' 120' ' ' HIS . . . -54.52 148.68 20.92 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.471 1.107 . . . . 10.0 111.002 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -118.01 109.33 16.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 0.773 . . . . 10.0 111.026 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.665 ' O ' HG23 ' A' ' 47' ' ' VAL . 54.7 m170 -90.35 173.22 8.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 10.0 109.601 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.665 HG23 ' O ' ' A' ' 46' ' ' HIS . 32.4 t -159.44 76.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 10.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.5 ' CG ' ' HB ' ' A' ' 116' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.553 1.158 . . . . 10.0 109.57 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 111.039 -0.824 . . . . 10.0 111.039 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.95 142.18 38.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 0.734 . . . . 10.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -133.09 14.97 4.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 10.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 82.54 -99.21 2.06 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.501 1.126 . . . . 10.0 110.974 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.785 ' ND2' HD23 ' A' ' 42' ' ' LEU . 21.5 p30 -151.48 152.24 32.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 0.788 . . . . 10.0 109.345 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.571 HG23 ' N ' ' A' ' 88' ' ' THR . 9.8 m -99.64 -147.17 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 10.0 109.28 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.571 ' N ' HG23 ' A' ' 87' ' ' VAL . 42.6 m -155.35 128.86 8.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 10.0 110.397 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.861 ' HB3' ' HA ' ' A' ' 40' ' ' GLU . . . -84.2 175.37 9.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 10.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.449 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 13.2 t0 -80.85 -97.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 10.0 109.342 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.449 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 9.7 pttt -138.05 10.7 2.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 10.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -154.26 23.56 0.48 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 10.0 109.237 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.471 ' CA ' ' HB1' ' A' ' 89' ' ' ALA . . . 90.47 -32.04 5.19 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.508 1.13 . . . . 10.0 111.025 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.51 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 21.1 t -41.77 103.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.49 0.759 . . . . 10.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.441 ' HB3' ' HB ' ' A' ' 35' ' ' ILE . . . -105.93 117.37 33.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 10.0 109.298 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.43 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 2.0 p-10 -103.38 153.35 20.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 10.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 32' ' ' TRP . 57.4 t -133.39 155.87 41.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 10.0 109.279 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.412 ' C ' ' CG1' ' A' ' 99' ' ' ILE . 92.0 p -172.53 97.02 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 10.0 109.986 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.412 ' CG1' ' C ' ' A' ' 98' ' ' SER . 0.8 OUTLIER -149.03 170.92 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 10.0 109.262 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.439 ' HB3' ' CG ' ' A' ' 28' ' ' PRO . 0.6 OUTLIER -124.01 94.82 4.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 10.0 110.289 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -96.38 117.82 31.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 10.0 109.28 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.45 ' C ' ' N ' ' A' ' 104' ' ' ILE . 80.7 p -98.4 -32.09 11.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 10.0 110.012 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 53.4 t -41.1 -28.95 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 10.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.7 ' HB ' HG21 ' A' ' 112' ' ' ILE . 2.6 pp -121.26 170.35 11.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.103 . . . . 10.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . 0.863 ' C ' HD23 ' A' ' 106' ' ' LEU . 27.9 p -170.8 -179.81 2.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 10.0 109.997 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.863 HD23 ' C ' ' A' ' 105' ' ' SER . 0.2 OUTLIER -108.93 39.69 1.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 10.0 109.34 179.939 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -106.3 159.69 15.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 10.0 109.964 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -66.23 77.39 0.12 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.487 1.117 . . . . 10.0 110.999 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 172.09 -51.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 0.754 . . . . 10.0 109.271 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . 0.722 ' O ' HG23 ' A' ' 112' ' ' ILE . 11.3 m80 -115.12 11.69 16.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 10.0 109.565 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 43.5 p -40.69 111.92 0.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 10.0 109.968 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.722 HG23 ' O ' ' A' ' 110' ' ' HIS . 1.2 pt -103.6 20.24 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 10.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.545 HG22 ' O ' ' A' ' 113' ' ' ILE . 17.5 mm -70.6 70.49 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.432 1.083 . . . . 10.0 109.267 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 170.87 39.23 0.03 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.495 1.122 . . . . 10.0 111.016 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.948 ' HB2' HD13 ' A' ' 149' ' ' ILE . 16.7 mtt180 -100.12 88.6 3.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 0.755 . . . . 10.0 110.296 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.763 HG23 HG23 ' A' ' 148' ' ' VAL . 14.2 m -68.94 61.21 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 10.0 110.427 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.402 ' N ' ' O ' ' A' ' 115' ' ' ARG . 1.7 tp -45.63 110.02 0.22 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 10.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.839 HG12 ' O ' ' A' ' 145' ' ' ALA . 0.0 OUTLIER -116.55 97.52 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 10.0 109.32 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.84 HG11 HD11 ' A' ' 38' ' ' LEU . 17.6 t -46.28 171.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.121 . . . . 10.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.538 ' H ' HG12 ' A' ' 119' ' ' VAL . 1.0 OUTLIER -99.42 123.45 43.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 10.0 109.586 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -44.7 -34.36 2.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 10.0 110.329 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.46 ' N ' ' HB1' ' A' ' 140' ' ' ALA . 0.0 OUTLIER -148.41 175.12 11.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 10.0 109.281 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.31 -166.1 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.089 . . . . 10.0 109.277 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -154.47 93.9 1.64 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 10.0 109.286 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.61 -25.24 67.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 10.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.561 HD23 ' O ' ' A' ' 134' ' ' SER . 3.5 mt 56.65 18.28 3.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 10.0 109.255 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -178.4 62.07 0.08 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.446 1.091 . . . . 10.0 111.0 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.2 -77.19 0.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 0.774 . . . . 10.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -163.99 29.79 0.24 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.499 1.124 . . . . 10.0 111.024 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -152.04 -173.75 22.0 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.973 -0.851 . . . . 10.0 110.973 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . 0.524 ' O ' ' CB ' ' A' ' 132' ' ' GLU . 35.2 m-20 -153.54 149.7 27.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 0.749 . . . . 10.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.524 ' CB ' ' O ' ' A' ' 131' ' ' ASN . 7.9 tt0 88.14 11.81 0.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 10.0 110.283 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -134.98 -81.7 0.43 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 10.0 110.318 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . 0.561 ' O ' HD23 ' A' ' 126' ' ' LEU . 4.8 m -58.19 -26.04 62.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.165 . . . . 10.0 110.004 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 31.8 p -63.41 -35.02 79.05 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.436 1.085 . . . . 10.0 110.378 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 9.2 pttt -94.19 -32.92 13.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 10.0 109.289 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 32.8 p -125.77 -98.2 0.41 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.155 . . . . 10.0 110.367 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . 0.452 ' N ' ' HA ' ' A' ' 134' ' ' SER . . . 166.14 40.83 0.02 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.514 1.133 . . . . 10.0 110.993 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 48.5 24.74 0.79 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 0.783 . . . . 10.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.46 ' HB1' ' N ' ' A' ' 122' ' ' LYS . . . -145.32 21.92 1.52 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 10.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -75.79 85.52 0.87 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.475 1.11 . . . . 10.0 110.96 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.38 1.06 11.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 0.746 . . . . 10.0 110.007 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . 0.431 ' HG2' HG21 ' A' ' 118' ' ' VAL . 0.1 OUTLIER 65.63 -84.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 10.0 110.31 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.404 ' O ' ' O ' ' A' ' 143' ' ' ARG . 16.2 mt 61.63 143.78 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 10.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . 0.839 ' O ' HG12 ' A' ' 118' ' ' VAL . . . 56.07 168.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 10.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' CYS . . . . . 0.428 ' O ' ' N ' ' A' ' 148' ' ' VAL . 11.0 p -155.56 68.17 0.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 10.0 108.321 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . 0.738 ' O ' ' HB1' ' A' ' 6' ' ' ALA . . . -67.98 60.52 0.37 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.547 1.155 . . . . 10.0 111.018 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.763 HG23 HG23 ' A' ' 116' ' ' THR . 3.3 t -61.28 131.77 26.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 0.77 . . . . 10.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 149' ' ' ILE . . . . . 0.948 HD13 ' HB2' ' A' ' 115' ' ' ARG . 4.6 mp -86.15 112.84 23.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 10.0 109.292 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . 0.407 ' O ' ' HA ' ' A' ' 4' ' ' ALA . . . -126.78 154.2 19.16 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.531 1.145 . . . . 10.0 110.976 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . 0.724 HG23 HG21 ' A' ' 2' ' ' THR . 18.9 mm -57.72 138.53 18.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.547 0.792 . . . . 10.0 109.328 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . 0.615 ' CB ' HG23 ' A' ' 5' ' ' VAL . . . -141.13 157.5 45.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.155 . . . . 10.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 1.6 pm0 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 10.0 110.32 179.975 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.954 ' CG2' HD12 ' A' ' 151' ' ' ILE . 41.4 m . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.406 -0.22 . . . . 10.0 110.406 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.4 tmtt? -138.98 110.79 7.17 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.485 1.115 . . . . 10.0 109.288 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.929 ' HB3' ' HB2' ' A' ' 20' ' ' PHE . . . -84.54 159.91 20.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.415 1.072 . . . . 10.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.459 HG23 ' HB3' ' A' ' 152' ' ' ALA . 1.9 t -143.45 155.35 16.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 10.0 109.326 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.967 ' HB3' HG23 ' A' ' 18' ' ' ILE . . . -146.8 91.76 2.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 10.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.495 ' O ' HG13 ' A' ' 7' ' ' VAL . 7.7 p -83.7 92.87 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 10.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.678 HD12 ' HB3' ' A' ' 145' ' ' ALA . 3.3 mm? -44.04 131.93 5.66 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 10.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.9 tttm -168.01 102.58 0.46 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 10.0 109.314 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 11' ' ' ASP . . . -163.26 -93.28 0.09 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.472 1.107 . . . . 10.0 110.97 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 10' ' ' GLY . 24.9 t70 -38.59 -65.46 0.35 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 0.791 . . . . 10.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 155.02 -59.36 0.38 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.501 1.126 . . . . 10.0 111.022 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.407 ' O ' ' O ' ' A' ' 36' ' ' LYS . 18.0 Cg_endo -75.05 -34.51 3.72 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.478 1.778 . . . . 10.0 110.962 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.97 HG21 HD13 ' A' ' 144' ' ' LEU . 31.2 t -71.21 94.75 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 10.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -120.85 47.13 1.87 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 10.0 110.281 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.491 ' N ' ' HB2' ' A' ' 8' ' ' LEU . . . -59.52 166.7 8.87 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.544 1.152 . . . . 10.0 110.987 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 22.0 mt -139.39 99.35 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.499 0.764 . . . . 10.0 109.272 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.993 HD12 ' N ' ' A' ' 19' ' ' ASN . 0.1 OUTLIER -108.34 135.2 47.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 10.0 109.341 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.993 ' N ' HD12 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -131.23 145.32 51.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 10.0 109.291 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.929 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 5.5 m-85 -115.62 135.75 53.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 10.0 110.948 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.467 ' HB2' ' CH2' ' A' ' 32' ' ' TRP . 4.3 tp10 -130.49 128.1 40.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 10.0 110.29 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.906 ' HB2' HG13 ' A' ' 29' ' ' VAL . 1.6 tt0 -145.27 64.62 1.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.426 1.079 . . . . 10.0 110.295 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 22.3 mtmt -72.78 63.95 0.64 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.562 1.164 . . . . 10.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.51 ' O ' ' CB ' ' A' ' 25' ' ' SER . 0.2 OUTLIER -153.72 -49.41 0.09 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.451 1.094 . . . . 10.0 110.307 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.51 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 0.3 OUTLIER 85.65 -13.44 0.61 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 10.0 109.971 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -156.21 24.65 0.36 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.137 . . . . 10.0 109.345 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -124.17 -159.5 10.46 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.537 1.148 . . . . 10.0 110.997 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.43 ' HA ' ' O ' ' A' ' 101' ' ' ASP . 18.2 Cg_endo -75.05 142.52 27.8 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.469 1.773 . . . . 10.0 110.999 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.906 HG13 ' HB2' ' A' ' 22' ' ' GLN . 10.9 t -101.48 103.0 14.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.424 1.077 . . . . 10.0 109.271 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.511 ' O ' ' CZ3' ' A' ' 32' ' ' TRP . 59.6 mttt -73.23 100.11 3.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 10.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.615 HG13 ' CD1' ' A' ' 20' ' ' PHE . 40.4 t -101.27 143.41 14.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 10.0 109.253 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.511 ' CZ3' ' O ' ' A' ' 30' ' ' LYS . 35.6 p90 -164.11 145.19 8.54 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.996 -1.113 . . . . 10.0 107.996 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.45 ' O ' ' HA ' ' A' ' 96' ' ' ASP . . . -158.58 -174.21 27.98 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.51 1.131 . . . . 10.0 111.015 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 21.5 p -157.14 120.42 4.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 0.753 . . . . 10.0 110.029 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.552 HG21 HD13 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -83.93 165.83 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 10.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.518 ' CG ' ' O ' ' A' ' 35' ' ' ILE . 14.6 mttm -157.1 111.56 2.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 10.0 109.267 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.437 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 142.1 -48.47 0.79 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.496 1.123 . . . . 10.0 111.02 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.732 HD22 ' CG ' ' A' ' 43' ' ' HIS . 0.8 OUTLIER -52.88 -172.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 0.782 . . . . 10.0 109.334 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.561 ' O ' ' CE1' ' A' ' 43' ' ' HIS . 20.0 p -129.64 139.46 51.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 10.0 110.411 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.76 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 1.5 pt-20 -36.42 130.77 0.68 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 10.0 110.271 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.43 ' O ' ' HA ' ' A' ' 88' ' ' THR . . . 139.33 -161.01 26.05 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.51 1.131 . . . . 10.0 111.019 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.456 ' O ' ' ND1' ' A' ' 43' ' ' HIS . 0.4 OUTLIER -77.32 142.99 39.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 0.776 . . . . 10.0 109.28 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.732 ' CG ' HD22 ' A' ' 38' ' ' LEU . 21.4 m-70 -141.75 123.21 14.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 10.0 109.586 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.711 ' O ' HG12 ' A' ' 119' ' ' VAL . . . -59.12 172.05 4.6 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.536 1.147 . . . . 10.0 111.0 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -138.12 68.95 1.39 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.539 0.788 . . . . 10.0 110.978 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.766 ' O ' HG23 ' A' ' 47' ' ' VAL . 57.1 m170 -52.78 174.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 10.0 109.63 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.766 HG23 ' O ' ' A' ' 46' ' ' HIS . 8.2 t -161.73 74.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 10.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.818 ' CG ' HG22 ' A' ' 116' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 10.0 109.6 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.463 ' O ' ' N ' ' A' ' 47' ' ' VAL . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.995 -0.842 . . . . 10.0 110.995 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -90.93 158.66 16.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 0.774 . . . . 10.0 109.274 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.486 ' O ' HD23 ' A' ' 84' ' ' LEU . 2.4 tt -147.64 50.77 1.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 10.0 109.294 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 65.93 -160.73 44.82 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.507 1.129 . . . . 10.0 111.007 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -126.38 175.33 7.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 0.753 . . . . 10.0 109.291 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.645 HG23 ' N ' ' A' ' 88' ' ' THR . 5.1 m -133.37 -147.04 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 10.0 109.266 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.645 ' N ' HG23 ' A' ' 87' ' ' VAL . 3.8 m -154.91 135.99 13.87 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.504 1.127 . . . . 10.0 110.392 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.76 ' HB3' ' HA ' ' A' ' 40' ' ' GLU . . . -85.18 175.58 8.88 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 10.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.439 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 12.1 t0 -84.26 -96.08 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 10.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.439 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 8.9 pttt -138.48 12.04 2.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 10.0 109.274 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -157.78 26.08 0.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 10.0 109.286 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.491 ' CA ' ' HB1' ' A' ' 89' ' ' ALA . . . 92.07 -34.79 4.25 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.496 1.122 . . . . 10.0 111.008 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.507 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 20.5 t -38.98 100.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.485 0.756 . . . . 10.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -105.65 117.98 35.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 10.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.45 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 2.8 p-10 -106.87 152.93 23.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.108 . . . . 10.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 97.7 t -127.63 159.28 38.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 10.0 109.311 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 59.6 p -165.39 90.69 0.49 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 10.0 109.975 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 6.7 mt -120.34 149.84 23.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 10.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -141.76 88.62 2.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 10.0 110.316 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.43 ' O ' ' HA ' ' A' ' 28' ' ' PRO . 0.6 OUTLIER -128.03 156.84 42.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 10.0 109.265 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 89.0 p -120.11 28.83 7.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 10.0 110.023 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 95.7 t -90.55 -36.84 8.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 10.0 109.302 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.566 HG13 HG21 ' A' ' 112' ' ' ILE . 0.2 OUTLIER -83.25 -171.16 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.16 . . . . 10.0 109.288 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . 0.581 ' O ' HG23 ' A' ' 112' ' ' ILE . 17.6 t -160.79 170.59 20.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 10.0 110.008 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.468 ' HA ' ' CD1' ' A' ' 112' ' ' ILE . 9.0 mp -92.15 -42.94 9.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 10.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.46 80.09 1.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 10.0 110.001 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -151.15 -99.75 0.2 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.477 1.11 . . . . 10.0 110.97 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -113.92 -34.02 5.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 0.781 . . . . 10.0 109.25 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 11.5 m80 -119.7 65.15 0.81 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.57 1.169 . . . . 10.0 109.614 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 97.7 p -68.81 125.19 25.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 10.0 109.968 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.581 HG23 ' O ' ' A' ' 105' ' ' SER . 0.2 OUTLIER -83.98 -3.25 7.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 10.0 109.283 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.441 HD13 HG12 ' A' ' 151' ' ' ILE . 5.2 mt -72.92 150.67 8.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 10.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 65.03 24.83 70.51 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.49 1.119 . . . . 10.0 110.981 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 23.2 mtp180 -116.0 59.66 0.73 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 0.78 . . . . 10.0 110.315 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.818 HG22 ' CG ' ' A' ' 48' ' ' HIS . 1.2 t -56.66 166.51 0.92 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 10.0 110.404 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.979 ' O ' HD22 ' A' ' 117' ' ' LEU . 0.0 OUTLIER -130.35 115.04 16.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 10.0 109.307 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.7 HG12 ' H ' ' A' ' 144' ' ' LEU . 0.1 OUTLIER -113.08 78.61 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.127 . . . . 10.0 109.29 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.837 HG23 HD12 ' A' ' 144' ' ' LEU . 1.5 m -49.43 145.96 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 10.0 109.297 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.604 ' CD2' ' O ' ' A' ' 122' ' ' LYS . 0.8 OUTLIER -83.85 161.86 20.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 10.0 109.645 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.502 ' O ' ' CB ' ' A' ' 122' ' ' LYS . 5.8 tt0 -96.45 54.14 1.35 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 10.0 110.258 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.604 ' O ' ' CD2' ' A' ' 120' ' ' HIS . 0.3 OUTLIER 164.18 157.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 10.0 109.272 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -92.19 129.18 38.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.572 1.17 . . . . 10.0 109.279 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -62.46 -13.82 34.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 10.0 109.31 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 22.4 t0 60.84 26.92 16.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 10.0 109.283 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 7.0 mt 53.57 20.33 2.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 10.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 123.44 86.74 0.77 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.542 1.151 . . . . 10.0 110.951 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.78 -33.5 4.46 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.557 0.798 . . . . 10.0 109.273 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 103.03 -5.49 50.14 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.51 1.131 . . . . 10.0 110.965 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -69.73 -164.23 4.25 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.996 -0.842 . . . . 10.0 110.996 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . 0.471 ' O ' ' CB ' ' A' ' 132' ' ' GLU . 7.9 m120 -148.42 127.67 12.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 0.758 . . . . 10.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.471 ' CB ' ' O ' ' A' ' 131' ' ' ASN . 13.0 tt0 84.01 -11.07 0.88 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 10.0 110.265 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -118.0 -57.87 2.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.417 1.073 . . . . 10.0 110.284 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . 0.546 ' HA ' ' CA ' ' A' ' 138' ' ' GLY . 0.0 OUTLIER -84.34 -29.57 26.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 10.0 110.007 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.84 -4.27 23.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 10.0 110.398 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.617 ' HG2' HG23 ' A' ' 137' ' ' THR . 2.4 ttpt -105.59 -59.75 1.72 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 10.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . 0.617 HG23 ' HG2' ' A' ' 136' ' ' LYS . 23.4 p -117.73 -32.98 4.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.088 . . . . 10.0 110.39 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . 0.546 ' CA ' ' HA ' ' A' ' 134' ' ' SER . . . 120.89 8.8 7.86 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.518 1.136 . . . . 10.0 110.976 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' ASN . . . . . 0.509 ' CB ' ' O ' ' A' ' 138' ' ' GLY . 5.1 t-20 83.76 25.18 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 0.775 . . . . 10.0 109.344 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.421 ' O ' ' ND1' ' A' ' 120' ' ' HIS . . . -161.44 79.12 0.58 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 10.0 109.317 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -147.43 81.54 0.2 Allowed Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.495 1.122 . . . . 10.0 111.024 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.81 5.9 5.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.413 0.714 . . . . 10.0 109.992 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 59.27 -175.99 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 10.0 110.263 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.97 HD13 HG21 ' A' ' 14' ' ' VAL . 15.4 mt -155.35 -99.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 10.0 109.364 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . 0.678 ' HB3' HD12 ' A' ' 8' ' ' LEU . . . -108.84 156.81 19.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 10.0 109.323 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 1.2 p -121.2 72.63 1.0 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 10.0 108.307 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . 0.584 ' H ' HD13 ' A' ' 8' ' ' LEU . . . -51.7 -45.16 54.97 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.475 1.11 . . . . 10.0 111.009 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.513 ' N ' ' OG1' ' A' ' 116' ' ' THR . 2.2 t 66.89 114.98 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 0.772 . . . . 10.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 149' ' ' ILE . . . . . 0.606 HG13 ' HB2' ' A' ' 6' ' ' ALA . 4.2 mp -84.01 93.53 3.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.501 1.126 . . . . 10.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -113.96 158.41 14.32 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.483 1.114 . . . . 10.0 110.996 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . 0.954 HD12 ' CG2' ' A' ' 2' ' ' THR . 35.1 mm -66.28 147.47 12.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.433 0.725 . . . . 10.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . 0.459 ' HB3' HG23 ' A' ' 5' ' ' VAL . . . -143.06 167.48 21.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 10.0 109.298 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 10.0 110.268 -179.961 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.9 p . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.412 -0.218 . . . . 10.0 110.412 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.803 ' O ' ' HB3' ' A' ' 152' ' ' ALA . 0.0 OUTLIER -94.76 131.67 40.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 10.0 109.267 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.508 ' CB ' HG22 ' A' ' 149' ' ' ILE . . . -107.43 163.54 12.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 10.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.863 HG23 ' HB2' ' A' ' 152' ' ' ALA . 14.0 t -130.4 159.7 42.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 10.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.761 ' HB1' ' O ' ' A' ' 147' ' ' GLY . . . -155.99 91.67 1.3 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 10.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 56.6 t -82.42 98.45 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 10.0 109.325 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.575 HD22 ' HA3' ' A' ' 147' ' ' GLY . 3.1 mm? -41.09 144.06 0.33 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 10.0 109.294 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.714 ' H ' ' HB1' ' A' ' 145' ' ' ALA . 9.0 tttt 178.2 125.13 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 10.0 109.299 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 170.82 -91.73 0.1 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.57 1.169 . . . . 10.0 110.995 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.434 ' OD2' HD23 ' A' ' 144' ' ' LEU . 26.5 t0 -40.04 -66.32 0.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 0.77 . . . . 10.0 109.271 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.401 ' N ' ' CD ' ' A' ' 13' ' ' PRO . . . 157.49 -56.55 0.37 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.502 1.126 . . . . 10.0 110.994 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.41 ' O ' ' O ' ' A' ' 36' ' ' LYS . 18.3 Cg_endo -74.99 -52.37 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.518 1.799 . . . . 10.0 111.016 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.478 HG22 HD12 ' A' ' 38' ' ' LEU . 71.7 t -62.38 94.7 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 10.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -133.87 50.3 2.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 10.0 110.277 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.497 ' N ' ' HB2' ' A' ' 8' ' ' LEU . . . -75.61 -171.62 30.72 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.474 1.109 . . . . 10.0 110.982 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.423 HG13 ' C ' ' A' ' 16' ' ' GLY . 65.0 mt -142.98 116.97 3.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.531 0.783 . . . . 10.0 109.315 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.774 ' C ' HD13 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -122.61 133.34 69.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 10.0 109.291 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -122.65 150.66 42.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 10.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.814 ' CE2' HG22 ' A' ' 31' ' ' VAL . 2.9 m-85 -123.93 94.13 4.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 10.0 110.99 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.473 ' HA ' ' CB ' ' A' ' 3' ' ' LYS . 32.9 tt0 -83.75 122.89 29.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 10.0 110.275 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.869 ' CG ' HG22 ' A' ' 29' ' ' VAL . 0.3 OUTLIER -150.41 61.62 0.96 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.453 1.095 . . . . 10.0 110.324 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.87 65.18 2.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 10.0 109.3 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.433 ' HB3' ' N ' ' A' ' 27' ' ' GLY . 1.2 mt-10 -155.6 138.82 15.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 10.0 110.325 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 53.5 m -77.02 -7.49 55.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 10.0 110.02 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 12.0 m-20 -155.47 28.94 0.39 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 10.0 109.262 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.433 ' N ' ' HB3' ' A' ' 24' ' ' GLU . . . -108.53 156.01 15.9 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.468 1.105 . . . . 10.0 110.981 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.443 ' HA ' ' O ' ' A' ' 101' ' ' ASP . 18.5 Cg_endo -75.01 168.23 25.29 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.503 1.791 . . . . 10.0 111.025 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.869 HG22 ' CG ' ' A' ' 22' ' ' GLN . 42.8 t -96.08 98.02 7.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 10.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.464 ' HG2' ' CG ' ' A' ' 100' ' ' GLU . 34.0 mttt -60.66 89.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 10.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.814 HG22 ' CE2' ' A' ' 20' ' ' PHE . 45.6 t -84.76 117.91 30.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 10.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -149.93 160.93 43.22 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.955 -1.128 . . . . 10.0 107.955 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.433 ' O ' ' HA ' ' A' ' 96' ' ' ASP . . . 175.59 -171.26 44.36 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.53 1.144 . . . . 10.0 111.011 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 80.4 p -156.68 122.72 4.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 0.766 . . . . 10.0 109.999 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.872 HG21 HD13 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -83.87 165.83 2.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.434 1.084 . . . . 10.0 109.274 -179.943 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.507 ' N ' HG23 ' A' ' 35' ' ' ILE . 21.3 mttm -156.06 108.26 2.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 10.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.457 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 144.24 -47.89 0.75 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.504 1.127 . . . . 10.0 110.967 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.872 HD13 HG21 ' A' ' 35' ' ' ILE . 3.5 mp -51.98 -172.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 0.767 . . . . 10.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.437 ' O ' ' NE2' ' A' ' 43' ' ' HIS . 21.5 p -132.73 137.31 46.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 10.0 110.401 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.718 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 5.6 pt-20 -36.63 122.06 0.77 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.574 1.171 . . . . 10.0 110.301 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.514 ' C ' HD13 ' A' ' 42' ' ' LEU . . . 146.51 -157.58 27.44 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.451 1.094 . . . . 10.0 111.023 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.769 HD13 ' N ' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -92.18 157.43 16.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 0.752 . . . . 10.0 109.314 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.619 ' CG ' HD23 ' A' ' 38' ' ' LEU . 87.3 m-70 -154.92 148.87 25.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 10.0 109.62 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -48.12 176.91 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.468 1.105 . . . . 10.0 111.028 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.787 ' CZ ' HD22 ' A' ' 84' ' ' LEU . 2.2 t80 -104.7 155.02 19.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 0.79 . . . . 10.0 111.03 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.42 ' O ' ' HB ' ' A' ' 47' ' ' VAL . 0.4 OUTLIER -60.94 177.18 0.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.429 1.081 . . . . 10.0 109.612 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.42 ' HB ' ' O ' ' A' ' 46' ' ' HIS . 11.7 t 75.35 111.88 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 10.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.56 ' CD2' ' HG3' ' A' ' 143' ' ' ARG . 44.8 p-80 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 10.0 109.556 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.986 -0.846 . . . . 10.0 110.986 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -99.77 140.79 33.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 0.752 . . . . 10.0 109.283 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.787 HD22 ' CZ ' ' A' ' 45' ' ' PHE . 4.8 tt -154.32 -73.45 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 10.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -165.55 -176.68 37.24 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.502 1.126 . . . . 10.0 111.028 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 12.6 m-20 -97.45 144.17 27.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 0.764 . . . . 10.0 109.28 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.478 HG22 ' O ' ' A' ' 43' ' ' HIS . 17.1 m -92.52 -166.51 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 10.0 109.248 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.426 ' HA ' ' O ' ' A' ' 41' ' ' GLY . 87.2 m -153.83 136.44 15.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 10.0 110.39 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.718 ' HB3' ' HA ' ' A' ' 40' ' ' GLU . . . -92.12 175.86 6.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 10.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.45 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 11.4 t0 -80.59 -97.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 10.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.45 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 7.7 pttt -137.14 10.87 3.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 10.0 109.342 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -158.0 25.26 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 10.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.525 ' CA ' ' HB1' ' A' ' 89' ' ' ALA . . . 95.55 -38.88 2.98 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.503 1.127 . . . . 10.0 111.029 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.464 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 21.3 t -36.76 99.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.489 0.758 . . . . 10.0 109.335 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 93' ' ' GLY . . . -103.06 119.24 38.5 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.478 1.111 . . . . 10.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.433 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 4.1 p-10 -107.17 148.51 28.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.56 1.163 . . . . 10.0 109.301 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 29.7 t -121.38 159.6 23.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 10.0 109.331 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 95.9 p -170.54 83.75 0.1 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 10.0 109.97 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 5.1 mt -126.24 157.26 36.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 10.0 109.278 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.464 ' CG ' ' HG2' ' A' ' 30' ' ' LYS . 8.4 mt-10 -130.74 103.11 6.41 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.536 1.147 . . . . 10.0 110.286 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.443 ' O ' ' HA ' ' A' ' 28' ' ' PRO . 8.2 m-20 -98.56 116.58 31.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 10.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.65 ' O ' HG13 ' A' ' 103' ' ' VAL . 77.6 p -105.83 74.2 1.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 10.0 109.995 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.65 HG13 ' O ' ' A' ' 102' ' ' SER . 0.0 OUTLIER -163.29 -47.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 10.0 109.289 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.55 ' H ' HD13 ' A' ' 104' ' ' ILE . 0.2 OUTLIER -87.01 172.67 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 10.0 109.334 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . 0.835 ' O ' HG23 ' A' ' 112' ' ' ILE . 2.2 t -152.3 171.59 17.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 10.0 110.006 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.543 ' CD2' ' N ' ' A' ' 106' ' ' LEU . 0.2 OUTLIER -74.53 -42.19 59.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 10.0 109.308 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.14 158.29 44.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 10.0 109.996 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 131.17 -81.9 0.32 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.509 1.131 . . . . 10.0 111.003 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -142.41 -47.32 0.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 0.785 . . . . 10.0 109.315 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 16.3 m80 -100.02 66.93 1.38 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 10.0 109.604 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 81.2 p -65.81 135.45 54.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.565 1.166 . . . . 10.0 110.007 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.835 HG23 ' O ' ' A' ' 105' ' ' SER . 1.0 OUTLIER -85.08 -33.32 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.424 1.078 . . . . 10.0 109.283 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.563 HD11 HG12 ' A' ' 151' ' ' ILE . 7.7 mt -47.09 134.92 3.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.565 1.166 . . . . 10.0 109.336 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 122.64 -14.62 8.6 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.483 1.114 . . . . 10.0 111.027 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.481 ' O ' HD12 ' A' ' 149' ' ' ILE . 0.0 OUTLIER -96.77 173.78 7.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.439 0.729 . . . . 10.0 110.334 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.989 HG23 HG23 ' A' ' 118' ' ' VAL . 13.9 t -158.08 132.55 8.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 10.0 110.372 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.514 ' HB3' HG21 ' A' ' 18' ' ' ILE . 0.1 OUTLIER -71.88 62.53 0.44 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 10.0 109.258 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.989 HG23 HG23 ' A' ' 116' ' ' THR . 2.9 t -73.53 152.84 7.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 10.0 109.292 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -125.79 -171.78 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 10.0 109.318 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 31.6 m-70 -140.85 148.04 39.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 10.0 109.622 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.539 ' O ' ' CB ' ' A' ' 122' ' ' LYS . 6.7 tt0 -84.55 46.66 1.26 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 10.0 110.267 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.747 ' HB3' ' HB1' ' A' ' 140' ' ' ALA . 0.0 OUTLIER 161.24 168.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 10.0 109.296 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.468 ' HB2' ' HB2' ' A' ' 42' ' ' LEU . . . -99.46 163.37 12.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 10.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -79.65 -11.83 59.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 10.0 109.325 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 4.1 t70 65.47 28.07 11.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 10.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 6.3 mt 54.58 20.07 2.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 10.0 109.29 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 111.86 102.27 2.62 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.513 1.133 . . . . 10.0 110.995 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.59 -75.33 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 0.734 . . . . 10.0 109.275 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 148.38 -18.22 1.32 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.49 1.119 . . . . 10.0 110.991 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -59.37 -162.46 0.08 OUTLIER Glycine 0 CA--C 1.529 0.937 0 N-CA-C 111.034 -0.826 . . . . 10.0 111.034 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . 0.493 ' O ' ' CB ' ' A' ' 132' ' ' GLU . 8.4 p30 -144.83 129.68 18.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 0.724 . . . . 10.0 109.279 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.493 ' CB ' ' O ' ' A' ' 131' ' ' ASN . 0.9 OUTLIER 85.43 -11.13 0.74 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.16 . . . . 10.0 110.323 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -111.05 -65.44 1.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 10.0 110.293 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 76.6 p -74.38 -24.56 59.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.469 1.106 . . . . 10.0 110.019 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 8.5 p -71.05 -10.16 59.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 10.0 110.41 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.7 -55.32 2.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 10.0 109.28 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 60.0 p -118.4 -87.81 0.62 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 10.0 110.385 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 177.14 37.7 0.06 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.456 1.097 . . . . 10.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 41.15 46.05 2.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 0.74 . . . . 10.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.747 ' HB1' ' HB3' ' A' ' 122' ' ' LYS . . . -172.77 -40.11 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 10.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 140' ' ' ALA . . . -35.66 96.14 0.01 OUTLIER Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.536 1.148 . . . . 10.0 110.981 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 140' ' ' ALA . 11.7 t -107.53 98.74 8.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 0.766 . . . . 10.0 109.997 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . 0.56 ' HG3' ' CD2' ' A' ' 48' ' ' HIS . 1.0 OUTLIER -42.95 151.54 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 10.0 110.31 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.434 HD23 ' OD2' ' A' ' 11' ' ' ASP . 1.0 OUTLIER -140.59 -128.84 0.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.123 . . . . 10.0 109.31 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . 0.714 ' HB1' ' H ' ' A' ' 9' ' ' LYS . . . -65.69 174.93 2.07 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.1 . . . . 10.0 109.253 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 8.6 p -140.72 71.46 1.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 10.0 108.261 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . 0.761 ' O ' ' HB1' ' A' ' 6' ' ' ALA . . . -68.29 66.7 0.38 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.57 1.169 . . . . 10.0 111.047 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.457 ' CG2' ' HB ' ' A' ' 116' ' ' THR . 1.2 t -60.97 133.1 26.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.526 0.78 . . . . 10.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 149' ' ' ILE . . . . . 0.508 HG22 ' CB ' ' A' ' 4' ' ' ALA . 3.0 mp -77.14 127.78 38.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 10.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -134.91 148.1 19.42 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.559 1.162 . . . . 10.0 110.989 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . 0.563 HG12 HD11 ' A' ' 113' ' ' ILE . 21.4 mm -43.77 143.81 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.536 0.786 . . . . 10.0 109.334 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . 0.863 ' HB2' HG23 ' A' ' 5' ' ' VAL . . . -124.51 172.09 9.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 10.0 109.273 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 10.0 110.332 179.95 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.757 HG23 ' CD1' ' A' ' 151' ' ' ILE . 35.6 m . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 110.385 -0.228 . . . . 10.0 110.385 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.13 97.53 9.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.568 1.168 . . . . 10.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.88 ' HB3' ' HB2' ' A' ' 20' ' ' PHE . . . -84.86 153.81 22.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 10.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.457 HG23 ' HB2' ' A' ' 152' ' ' ALA . 10.5 t -126.05 150.93 31.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 10.0 109.266 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.588 ' HB1' ' C ' ' A' ' 147' ' ' GLY . . . -156.27 88.69 1.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 10.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.575 ' O ' HG13 ' A' ' 7' ' ' VAL . 14.5 p -81.81 99.78 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 10.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.563 HD21 ' CG2' ' A' ' 18' ' ' ILE . 0.7 OUTLIER -46.66 138.83 5.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.148 . . . . 10.0 109.29 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.429 ' H ' ' HB1' ' A' ' 145' ' ' ALA . 19.6 tttt -169.71 112.76 0.49 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 10.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 11' ' ' ASP . . . -156.6 -102.61 0.19 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.491 1.119 . . . . 10.0 110.986 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.909 ' HB2' HD22 ' A' ' 144' ' ' LEU . 38.4 t0 -40.27 -66.46 0.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 0.753 . . . . 10.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 160.37 -62.39 0.29 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.496 1.123 . . . . 10.0 110.967 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 54.65 3.71 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.514 1.797 . . . . 10.0 111.012 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.576 HG13 ' O ' ' A' ' 14' ' ' VAL . 3.4 p -173.41 109.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 10.0 109.307 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -132.12 48.11 2.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 10.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.501 ' N ' ' HB2' ' A' ' 8' ' ' LEU . . . -51.37 168.84 0.46 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.481 1.113 . . . . 10.0 110.985 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.423 HG13 ' C ' ' A' ' 16' ' ' GLY . 64.6 mt -142.13 98.85 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 0.765 . . . . 10.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.66 HD12 ' N ' ' A' ' 19' ' ' ASN . 0.1 OUTLIER -109.24 133.73 53.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 10.0 109.289 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.66 ' N ' HD12 ' A' ' 18' ' ' ILE . 0.1 OUTLIER -131.06 144.32 51.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 10.0 109.302 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.88 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 25.0 m-85 -114.31 107.88 16.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 10.0 110.988 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 30' ' ' LYS . 5.0 tt0 -100.0 150.93 21.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 10.0 110.29 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.458 ' HG3' HG22 ' A' ' 29' ' ' VAL . 10.8 tt0 -150.96 83.41 1.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 10.0 110.336 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.3 mttt -75.74 57.99 1.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 10.0 109.283 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.515 ' O ' ' CB ' ' A' ' 25' ' ' SER . 3.8 mp0 -155.62 -47.13 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 10.0 110.305 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.515 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 1.4 t 86.47 -14.87 0.48 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 10.0 109.981 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -157.51 25.29 0.29 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 10.0 109.336 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -125.1 -144.25 6.26 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.486 1.116 . . . . 10.0 110.971 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.483 ' HA ' ' O ' ' A' ' 101' ' ' ASP . 18.4 Cg_endo -75.0 152.84 41.24 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.541 1.811 . . . . 10.0 110.993 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.458 HG22 ' HG3' ' A' ' 22' ' ' GLN . 49.0 t -115.18 109.9 30.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 10.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 21' ' ' GLU . 40.5 mttt -74.32 97.59 3.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 10.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.744 HG22 ' CD2' ' A' ' 20' ' ' PHE . 23.8 t -95.57 130.27 44.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 10.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.53 ' O ' HD12 ' A' ' 18' ' ' ILE . 7.0 p90 -158.2 150.54 22.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 10.0 107.985 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.403 ' O ' ' HA ' ' A' ' 96' ' ' ASP . . . -159.86 -176.41 31.91 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.474 1.109 . . . . 10.0 111.011 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 7.5 p -156.28 118.99 4.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 0.77 . . . . 10.0 109.981 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.801 ' O ' HG13 ' A' ' 94' ' ' VAL . 0.2 OUTLIER -87.18 166.36 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 10.0 109.301 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.6 ' HA ' HG22 ' A' ' 94' ' ' VAL . 0.0 OUTLIER -161.95 112.21 1.58 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 10.0 109.314 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.409 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 134.97 -36.36 2.07 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.511 1.132 . . . . 10.0 110.97 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.603 HD13 HG21 ' A' ' 35' ' ' ILE . 0.2 OUTLIER -54.31 -169.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 0.76 . . . . 10.0 109.311 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.419 ' O ' ' NE2' ' A' ' 43' ' ' HIS . 3.3 p -121.44 132.42 54.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 10.0 110.434 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.764 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 0.4 OUTLIER -46.67 132.09 11.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 10.0 110.329 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.468 ' C ' HD13 ' A' ' 42' ' ' LEU . . . 136.02 -146.02 18.0 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.521 1.138 . . . . 10.0 111.016 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.507 HD13 ' N ' ' A' ' 42' ' ' LEU . 0.2 OUTLIER -96.24 151.35 19.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 0.805 . . . . 10.0 109.275 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.578 ' N ' ' HB2' ' A' ' 123' ' ' ALA . 66.5 m-70 -155.27 166.93 32.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 10.0 109.613 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.599 ' C ' ' CD1' ' A' ' 45' ' ' PHE . . . -119.09 144.94 18.05 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.473 1.108 . . . . 10.0 110.981 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.741 ' HD2' HG12 ' A' ' 119' ' ' VAL . 4.4 m-85 -155.88 136.66 13.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 0.772 . . . . 10.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.457 ' O ' HG22 ' A' ' 118' ' ' VAL . 23.6 p80 -178.21 176.25 1.12 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 10.0 109.581 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.479 ' CG1' ' N ' ' A' ' 48' ' ' HIS . 44.6 t -57.12 165.19 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.452 1.095 . . . . 10.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.571 ' CD2' ' HG3' ' A' ' 143' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 10.0 109.596 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.002 -0.839 . . . . 10.0 111.002 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.4 ' HB2' ' CD2' ' A' ' 46' ' ' HIS . 6.2 t70 -90.42 124.84 35.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 0.753 . . . . 10.0 109.266 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.5 tt -89.12 -26.1 21.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 10.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 158.82 -169.61 35.18 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.488 1.118 . . . . 10.0 110.998 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.519 ' ND2' ' HB1' ' A' ' 123' ' ' ALA . 1.0 OUTLIER -94.49 156.57 16.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 0.751 . . . . 10.0 109.318 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.489 ' CG2' ' CE1' ' A' ' 45' ' ' PHE . 30.6 m -118.94 -175.11 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 10.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.7 m -135.93 129.11 31.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 10.0 110.351 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.764 ' HB3' ' HA ' ' A' ' 40' ' ' GLU . . . -84.5 173.89 10.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 10.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.447 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 10.1 t70 -83.19 -100.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 10.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.447 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 17.7 mtmt -135.48 6.82 3.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 10.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -142.67 15.6 1.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 10.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.475 ' HA3' ' C ' ' A' ' 38' ' ' LEU . . . 93.13 -30.05 7.53 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.514 1.134 . . . . 10.0 111.003 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.801 HG13 ' O ' ' A' ' 35' ' ' ILE . 89.7 t -42.92 107.86 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 0.769 . . . . 10.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -114.87 124.13 50.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 10.0 109.251 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.403 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 0.5 OUTLIER -110.93 150.65 28.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 10.0 109.277 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' A' ' 32' ' ' TRP . 60.8 t -130.6 159.92 42.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 10.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.404 ' N ' HG12 ' A' ' 97' ' ' VAL . 4.5 t -164.52 98.44 0.79 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 10.0 110.002 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 8.1 mt -130.31 145.93 34.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 10.0 109.294 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 52.8 tt0 -131.09 95.91 3.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 10.0 110.291 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.483 ' O ' ' HA ' ' A' ' 28' ' ' PRO . 0.2 OUTLIER -111.31 162.2 15.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 10.0 109.31 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 78.7 p -131.6 10.98 4.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 10.0 110.008 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 47.6 t -84.48 -36.27 11.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 10.0 109.264 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.692 HG13 HG21 ' A' ' 112' ' ' ILE . 0.1 OUTLIER -89.16 177.3 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 10.0 109.277 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . 0.406 ' O ' ' O ' ' A' ' 110' ' ' HIS . 3.8 t -167.37 139.51 3.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 10.0 109.983 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.596 ' HG ' HD11 ' A' ' 112' ' ' ILE . 2.4 mp -71.63 -27.11 62.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.431 1.082 . . . . 10.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -135.49 133.96 39.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.568 1.167 . . . . 10.0 109.932 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 141.12 -85.06 0.21 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.462 1.101 . . . . 10.0 110.956 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -145.93 -46.81 0.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 0.752 . . . . 10.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . 0.406 ' O ' ' O ' ' A' ' 105' ' ' SER . 7.3 m-70 -85.19 53.43 2.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 10.0 109.605 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.41 115.83 2.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 10.0 109.986 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.692 HG21 HG13 ' A' ' 104' ' ' ILE . 19.4 pt -85.24 -25.39 6.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 10.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 2.4 mt -60.68 127.96 21.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 10.0 109.316 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 116.86 4.28 17.0 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.515 1.134 . . . . 10.0 110.969 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.454 ' HA ' HG22 ' A' ' 47' ' ' VAL . 24.2 mtt180 -84.58 116.56 23.22 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 0.775 . . . . 10.0 110.275 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.835 HG23 HG23 ' A' ' 148' ' ' VAL . 7.5 m -91.71 73.27 5.83 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.128 . . . . 10.0 110.376 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.63 ' O ' HD13 ' A' ' 117' ' ' LEU . 3.2 tm? -63.26 77.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 10.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.743 HG21 ' CB ' ' A' ' 143' ' ' ARG . 13.3 m -80.26 172.38 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 10.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.741 HG12 ' HD2' ' A' ' 45' ' ' PHE . 3.1 m -117.42 139.71 43.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 10.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 74.5 m-70 -105.09 145.22 30.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 10.0 109.619 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -39.09 -52.0 1.87 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 10.0 110.32 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 64.0 mttt -126.67 -167.83 1.78 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 10.0 109.263 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.578 ' HB2' ' N ' ' A' ' 43' ' ' HIS . . . -93.36 179.98 5.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.567 1.167 . . . . 10.0 109.326 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 -70.65 -7.82 47.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 10.0 109.331 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 62.39 25.43 15.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 10.0 109.3 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 16.5 mt 56.9 18.38 3.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 10.0 109.289 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 130' ' ' GLY . . . 89.43 -16.54 55.9 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.484 1.115 . . . . 10.0 111.009 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 3.7 tttt 48.1 31.39 2.48 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 0.757 . . . . 10.0 109.267 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 130' ' ' GLY . . . 73.34 30.93 61.84 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.496 1.122 . . . . 10.0 111.04 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 127' ' ' GLY . . . 58.52 118.73 0.01 OUTLIER Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.019 -0.832 . . . . 10.0 111.019 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . 0.748 ' N ' HG23 ' A' ' 135' ' ' THR . 5.3 t-20 -141.87 155.12 45.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 0.794 . . . . 10.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 131' ' ' ASN . 39.7 mt-10 -36.91 -30.66 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 10.0 110.307 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . 0.48 ' N ' ' O ' ' A' ' 131' ' ' ASN . 0.5 OUTLIER -86.65 -50.0 7.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 10.0 110.262 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 131' ' ' ASN . 0.3 OUTLIER -67.66 -53.84 24.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 10.0 110.021 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . 0.748 HG23 ' N ' ' A' ' 131' ' ' ASN . 52.9 p -46.47 -23.44 0.38 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 10.0 110.371 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.719 ' HG2' HG23 ' A' ' 137' ' ' THR . 5.9 tttt -101.11 -36.17 9.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 10.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . 0.719 HG23 ' HG2' ' A' ' 136' ' ' LYS . 81.8 p -134.76 -96.99 0.26 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 10.0 110.399 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . 0.438 ' N ' ' OG1' ' A' ' 137' ' ' THR . . . 178.95 36.4 0.06 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.504 1.128 . . . . 10.0 110.97 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 41.17 30.84 0.12 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.544 0.791 . . . . 10.0 109.274 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.415 ' N ' ' C ' ' A' ' 138' ' ' GLY . . . -89.24 -60.74 1.87 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 10.0 109.279 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 152.0 -86.81 0.14 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.499 1.124 . . . . 10.0 111.039 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 3.5 t -176.53 146.57 0.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 0.77 . . . . 10.0 110.023 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . 0.743 ' CB ' HG21 ' A' ' 118' ' ' VAL . 0.0 OUTLIER -55.46 166.87 0.56 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 10.0 110.298 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.909 HD22 ' HB2' ' A' ' 11' ' ' ASP . 52.9 mt -146.89 -108.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 10.0 109.341 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . 0.702 ' O ' HG12 ' A' ' 118' ' ' VAL . . . -43.23 163.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 10.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 146' ' ' CYS . . . . . 0.603 ' HA ' HG12 ' A' ' 118' ' ' VAL . 0.8 OUTLIER -136.79 70.21 1.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 10.0 108.305 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . 0.588 ' C ' ' HB1' ' A' ' 6' ' ' ALA . . . -73.68 62.73 1.94 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.502 1.126 . . . . 10.0 111.017 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.835 HG23 HG23 ' A' ' 116' ' ' THR . 4.0 t -65.06 133.5 30.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.505 0.768 . . . . 10.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 149' ' ' ILE . . . . . 0.632 HG23 ' HB1' ' A' ' 4' ' ' ALA . 1.3 mp -63.78 122.42 14.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 10.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -134.8 116.26 1.55 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.476 1.11 . . . . 10.0 110.989 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . 0.757 ' CD1' HG23 ' A' ' 2' ' ' THR . 9.8 mm -47.54 151.47 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 0.767 . . . . 10.0 109.261 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . 0.457 ' HB2' HG23 ' A' ' 5' ' ' VAL . . . -143.66 156.01 44.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 10.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 10.0 110.296 -179.998 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.973 HG22 HD12 ' A' ' 151' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.405 -0.22 . . . . 10.0 110.405 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.1 ttpm? -83.02 102.45 11.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 10.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.676 ' HB1' ' CG2' ' A' ' 149' ' ' ILE . . . -86.57 154.86 20.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 10.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.465 HG23 ' HB2' ' A' ' 152' ' ' ALA . 0.7 OUTLIER -127.96 147.08 32.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 10.0 109.282 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.726 ' HB2' HD13 ' A' ' 149' ' ' ILE . . . -151.88 90.35 1.53 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 10.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.766 HG23 HG12 ' A' ' 17' ' ' ILE . 10.3 p -81.65 104.84 10.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 10.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.477 HD23 ' N ' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -45.99 122.93 4.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 10.0 109.289 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.44 -46.14 70.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.562 1.164 . . . . 10.0 109.321 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.408 ' HA3' ' O ' ' A' ' 14' ' ' VAL . . . 73.16 120.03 0.07 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.496 1.123 . . . . 10.0 111.03 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -51.57 -21.99 2.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 0.729 . . . . 10.0 109.256 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 179.12 -60.39 0.08 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.485 1.115 . . . . 10.0 111.022 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -59.25 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.445 1.761 . . . . 10.0 111.044 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.921 HG11 ' HB2' ' A' ' 145' ' ' ALA . 7.4 t -45.46 150.0 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 10.0 109.29 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 175.59 54.02 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.13 . . . . 10.0 110.235 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.452 ' HA3' ' O ' ' A' ' 34' ' ' SER . . . -96.12 -169.69 34.91 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.521 1.138 . . . . 10.0 110.965 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.766 HG12 HG23 ' A' ' 7' ' ' VAL . 52.2 mt -141.08 122.1 13.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.529 0.782 . . . . 10.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.611 HD11 ' CE1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -126.92 126.22 68.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 10.0 109.295 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -113.75 159.44 19.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 10.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.96 ' CE1' HG13 ' A' ' 31' ' ' VAL . 1.5 m-85 -129.23 101.09 5.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 10.0 110.972 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 30' ' ' LYS . 12.0 tt0 -101.0 153.81 19.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 10.0 110.299 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.68 ' HG3' HG22 ' A' ' 29' ' ' VAL . 2.0 tt0 -148.08 62.54 1.11 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.518 1.136 . . . . 10.0 110.259 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.6 mtpt -71.49 64.56 0.43 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.125 . . . . 10.0 109.302 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -152.44 166.25 32.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 10.0 110.276 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 49.5 m -69.84 57.56 0.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 10.0 109.97 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 33.7 m-20 61.15 32.39 19.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 10.0 109.332 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -97.1 -114.14 3.14 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.512 1.133 . . . . 10.0 111.05 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.462 ' HA ' ' O ' ' A' ' 101' ' ' ASP . 18.2 Cg_endo -75.04 163.55 35.03 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.52 1.8 . . . . 10.0 110.996 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.68 HG22 ' HG3' ' A' ' 22' ' ' GLN . 58.5 t -125.49 129.77 72.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 10.0 109.33 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 21' ' ' GLU . 8.6 mttt -87.96 90.86 8.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 10.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.96 HG13 ' CE1' ' A' ' 20' ' ' PHE . 74.0 t -85.02 135.09 25.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 10.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -160.3 156.28 26.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 10.0 107.998 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.426 ' CA ' ' HA ' ' A' ' 18' ' ' ILE . . . -177.1 -171.97 41.2 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.455 1.097 . . . . 10.0 111.022 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.452 ' O ' ' HA3' ' A' ' 16' ' ' GLY . 0.6 OUTLIER -156.98 116.34 3.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 0.754 . . . . 10.0 109.998 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.505 ' HB ' ' HB3' ' A' ' 95' ' ' ALA . 0.3 OUTLIER -83.55 161.72 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 10.0 109.307 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.41 ' N ' HG23 ' A' ' 35' ' ' ILE . 13.0 mttt -151.56 92.97 1.82 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 10.0 109.31 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 150.77 -30.97 1.01 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.49 1.119 . . . . 10.0 111.012 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.819 HD13 ' CD2' ' A' ' 43' ' ' HIS . 8.6 mt -54.72 -167.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 0.749 . . . . 10.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.416 ' O ' ' C ' ' A' ' 40' ' ' GLU . 2.8 p -140.64 126.31 19.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 10.0 110.408 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.651 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 0.9 OUTLIER -37.77 103.36 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 10.0 110.27 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 157.3 170.88 22.69 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.513 1.133 . . . . 10.0 110.996 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.23 160.83 3.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 0.765 . . . . 10.0 109.239 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.819 ' CD2' HD13 ' A' ' 38' ' ' LEU . 76.4 m-70 -149.74 167.58 26.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 10.0 109.649 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.21 178.89 43.52 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.529 1.143 . . . . 10.0 111.021 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.419 ' HB2' ' NE2' ' A' ' 120' ' ' HIS . 39.2 m-85 -55.2 175.75 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 0.78 . . . . 10.0 110.992 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.707 ' CE1' ' CD1' ' A' ' 117' ' ' LEU . 0.6 OUTLIER -145.18 60.16 1.3 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 10.0 109.552 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 83.0 t -147.59 152.0 13.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 10.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 10.0 109.596 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.02 -0.832 . . . . 10.0 111.02 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -50.84 143.73 9.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 0.748 . . . . 10.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.432 HD22 ' HA ' ' A' ' 84' ' ' LEU . 0.4 OUTLIER -162.03 -60.3 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 10.0 109.281 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 168.06 -136.44 4.1 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.465 1.103 . . . . 10.0 110.963 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 16.2 m-20 -138.66 136.79 36.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 0.753 . . . . 10.0 109.353 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.484 HG23 ' HB2' ' A' ' 43' ' ' HIS . 4.4 m -104.36 153.44 6.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 10.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.5 m -131.22 149.98 52.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 10.0 110.398 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.651 ' HB3' ' HA ' ' A' ' 40' ' ' GLU . . . -85.57 166.67 16.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 10.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.45 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 7.6 t0 -68.44 -95.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.094 . . . . 10.0 109.258 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.509 ' CG ' ' O ' ' A' ' 91' ' ' LYS . 28.6 tttt -141.13 14.07 2.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 10.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -158.95 25.68 0.21 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 10.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.57 ' C ' ' HB1' ' A' ' 89' ' ' ALA . . . 94.19 -38.59 3.1 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.504 1.128 . . . . 10.0 111.023 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.464 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 47.7 t -46.12 103.52 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.521 0.777 . . . . 10.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.505 ' HB3' ' HB ' ' A' ' 35' ' ' ILE . . . -103.95 114.66 29.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 10.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.424 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 1.1 p30 -108.08 150.89 26.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 10.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.487 ' CG1' HD12 ' A' ' 99' ' ' ILE . 42.1 t -123.78 159.72 28.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 10.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 11.8 p -178.77 79.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 10.0 110.0 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.487 HD12 ' CG1' ' A' ' 97' ' ' VAL . 3.0 mp -137.31 165.21 27.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 10.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.45 ' N ' HG22 ' A' ' 99' ' ' ILE . 1.1 tt0 -127.38 106.16 9.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 10.0 110.308 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.55 ' HB2' HD11 ' A' ' 104' ' ' ILE . 25.6 m-20 -84.25 114.44 21.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 10.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 86.7 p -98.36 50.12 1.0 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 10.0 110.018 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 77.0 t -144.26 -46.14 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 10.0 109.32 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.869 HG22 ' CD2' ' A' ' 110' ' ' HIS . 1.0 OUTLIER -92.74 -179.11 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 10.0 109.292 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . 0.525 ' C ' HD23 ' A' ' 106' ' ' LEU . 97.2 p -178.71 -175.38 0.41 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 10.0 110.004 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.923 HD13 HD11 ' A' ' 113' ' ' ILE . 0.1 OUTLIER -109.48 27.64 9.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 10.0 109.332 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.12 179.99 5.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 10.0 109.955 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -78.52 76.03 1.9 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.5 1.125 . . . . 10.0 110.993 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 176.79 -56.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 0.776 . . . . 10.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . 0.869 ' CD2' HG22 ' A' ' 104' ' ' ILE . 10.9 m80 -90.22 -55.75 3.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 10.0 109.617 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 58.4 p 41.66 88.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 10.0 109.992 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.491 HD13 HD13 ' A' ' 104' ' ' ILE . 29.4 pt -96.14 1.32 10.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 10.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.923 HD11 HD13 ' A' ' 106' ' ' LEU . 7.9 mm -67.38 72.05 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 10.0 109.277 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 112' ' ' ILE . . . 172.32 39.07 0.03 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.491 1.119 . . . . 10.0 110.969 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.467 ' O ' ' CD2' ' A' ' 117' ' ' LEU . 0.2 OUTLIER -86.06 104.67 15.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 0.766 . . . . 10.0 110.3 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.712 HG23 HG23 ' A' ' 148' ' ' VAL . 7.7 m -78.72 79.38 5.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 10.0 110.434 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.707 ' CD1' ' CE1' ' A' ' 46' ' ' HIS . 3.1 mm? -61.81 91.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.113 . . . . 10.0 109.271 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.874 HG12 ' HA ' ' A' ' 146' ' ' CYS . 5.2 m -125.98 78.22 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 10.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 13.8 m -41.63 137.81 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.113 . . . . 10.0 109.284 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.582 ' CD2' ' O ' ' A' ' 140' ' ' ALA . 6.6 m-70 -85.12 177.92 7.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 10.0 109.582 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -119.11 62.04 0.8 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.09 . . . . 10.0 110.307 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.425 ' CB ' ' HA ' ' A' ' 140' ' ' ALA . 0.9 OUTLIER 173.31 168.99 0.16 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.121 . . . . 10.0 109.316 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.715 ' O ' ' HB2' ' A' ' 140' ' ' ALA . . . -74.16 -141.71 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 10.0 109.299 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -158.83 91.21 1.04 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 10.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.3 -21.49 59.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 10.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 10.0 mt 57.8 18.0 4.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.115 . . . . 10.0 109.277 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -142.44 -129.66 2.4 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.452 1.095 . . . . 10.0 111.021 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.581 ' HB2' HG22 ' A' ' 135' ' ' THR . 1.4 tttt -131.68 89.76 2.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 0.775 . . . . 10.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -85.82 16.47 41.54 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.496 1.122 . . . . 10.0 110.963 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 175.2 -148.18 9.39 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 111.004 -0.838 . . . . 10.0 111.004 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 65.3 m-80 -144.7 140.22 28.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 0.778 . . . . 10.0 109.282 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 50.22 21.79 0.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 10.0 110.337 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -132.22 -72.26 0.53 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 10.0 110.271 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 138' ' ' GLY . 0.7 OUTLIER -85.03 -20.93 29.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 10.0 109.973 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . 0.581 HG22 ' HB2' ' A' ' 128' ' ' LYS . 28.1 p -72.72 -3.4 24.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.102 . . . . 10.0 110.39 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 3.1 pttt -114.87 -40.89 3.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 10.0 109.314 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . 0.446 ' CG2' ' N ' ' A' ' 138' ' ' GLY . 2.6 t -99.91 -48.37 4.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 10.0 110.386 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . 0.46 ' O ' ' CB ' ' A' ' 139' ' ' ASN . . . 118.83 16.46 5.4 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.486 1.117 . . . . 10.0 110.987 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' ASN . . . . . 0.597 ' O ' ' HB2' ' A' ' 140' ' ' ALA . 6.6 t-20 78.98 55.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 0.772 . . . . 10.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.715 ' HB2' ' O ' ' A' ' 123' ' ' ALA . . . 169.98 48.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 10.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -104.49 71.92 0.25 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.476 1.11 . . . . 10.0 111.025 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -142.0 81.8 1.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 0.751 . . . . 10.0 110.029 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . 0.43 ' NH1' ' HB2' ' A' ' 143' ' ' ARG . 3.5 mtp-105 -52.84 143.65 16.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 10.0 110.236 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 12.8 mt -130.04 -66.63 0.78 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 10.0 109.279 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . 0.921 ' HB2' HG11 ' A' ' 14' ' ' VAL . . . -87.52 173.76 8.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 10.0 109.332 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 146' ' ' CYS . . . . . 0.874 ' HA ' HG12 ' A' ' 118' ' ' VAL . 56.2 m -156.53 68.72 0.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.143 . . . . 10.0 108.301 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . 0.615 ' O ' ' HB1' ' A' ' 6' ' ' ALA . . . -108.02 80.23 0.27 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.419 1.075 . . . . 10.0 110.992 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.712 HG23 HG23 ' A' ' 116' ' ' THR . 2.8 t -70.11 159.76 5.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 0.766 . . . . 10.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 149' ' ' ILE . . . . . 0.726 HD13 ' HB2' ' A' ' 6' ' ' ALA . 26.3 mm -74.89 147.58 8.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 10.0 109.342 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 151' ' ' ILE . . . -157.03 100.85 0.2 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.481 1.113 . . . . 10.0 110.992 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . 0.973 HD12 HG22 ' A' ' 2' ' ' THR . 8.9 mm -37.62 143.1 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.435 0.726 . . . . 10.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . 0.465 ' HB2' HG23 ' A' ' 5' ' ' VAL . . . -135.9 173.48 11.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 10.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 10.0 110.266 179.998 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.9 m . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.392 -0.225 . . . . 10.0 110.392 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.441 ' HA ' ' O ' ' A' ' 20' ' ' PHE . 6.7 ttmt -109.38 141.4 41.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 10.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.729 ' HB3' ' HB2' ' A' ' 20' ' ' PHE . . . -128.26 162.45 26.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 10.0 109.268 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.702 ' CG2' ' HB2' ' A' ' 152' ' ' ALA . 0.1 OUTLIER -147.13 149.73 15.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 10.0 109.28 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.759 ' HB3' HG23 ' A' ' 18' ' ' ILE . . . -143.59 101.35 3.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 10.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.689 ' O ' HG13 ' A' ' 7' ' ' VAL . 8.6 p -83.44 90.0 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 10.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.694 HD11 ' O ' ' A' ' 117' ' ' LEU . 4.4 mm? -39.8 140.19 0.55 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 10.0 109.265 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.421 ' H ' ' HB1' ' A' ' 145' ' ' ALA . 0.0 OUTLIER -176.93 121.74 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 10.0 109.305 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -171.08 -83.28 0.05 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.484 1.115 . . . . 10.0 111.039 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -50.97 -56.64 11.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 0.762 . . . . 10.0 109.257 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 149.81 -56.6 0.47 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.575 1.172 . . . . 10.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -25.07 12.22 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.45 1.763 . . . . 10.0 111.049 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.424 HG12 ' HB2' ' A' ' 145' ' ' ALA . 2.7 t -81.8 104.12 9.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 10.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.684 ' OE1' HG22 ' A' ' 7' ' ' VAL . 0.0 OUTLIER -129.41 39.28 3.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 10.0 110.302 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.505 ' N ' ' HB2' ' A' ' 8' ' ' LEU . . . -51.5 167.28 0.68 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.557 1.16 . . . . 10.0 111.053 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.414 HG13 ' C ' ' A' ' 16' ' ' GLY . 63.6 mt -142.72 106.69 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.506 0.768 . . . . 10.0 109.359 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.982 HD12 ' N ' ' A' ' 19' ' ' ASN . 0.1 OUTLIER -114.18 135.54 53.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 10.0 109.324 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.982 ' N ' HD12 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -129.82 144.82 51.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.118 . . . . 10.0 109.316 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.765 ' CE1' HG13 ' A' ' 31' ' ' VAL . 2.9 m-30 -112.51 130.7 55.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 10.0 111.023 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.421 ' O ' ' HA ' ' A' ' 29' ' ' VAL . 0.5 OUTLIER -113.12 127.35 56.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 10.0 110.315 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.876 ' CD ' HG22 ' A' ' 29' ' ' VAL . 6.4 tp60 -155.07 61.0 0.65 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 10.0 110.285 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.6 mtmt -78.89 60.86 2.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.431 1.082 . . . . 10.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.476 ' O ' ' CB ' ' A' ' 25' ' ' SER . 0.2 OUTLIER -155.56 -44.63 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 10.0 110.313 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.476 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 2.0 t 83.99 -1.89 1.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 10.0 109.988 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -163.98 29.74 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 10.0 109.27 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.427 ' O ' ' NE2' ' A' ' 22' ' ' GLN . . . -125.27 -163.06 11.52 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.478 1.111 . . . . 10.0 111.005 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.476 ' HA ' ' O ' ' A' ' 101' ' ' ASP . 18.2 Cg_endo -75.02 132.9 15.92 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.509 1.794 . . . . 10.0 111.017 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.876 HG22 ' CD ' ' A' ' 22' ' ' GLN . 28.8 t -91.87 87.5 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.425 1.078 . . . . 10.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.596 ' O ' ' CE3' ' A' ' 32' ' ' TRP . 48.2 mttt -60.72 87.63 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 10.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.765 HG13 ' CE1' ' A' ' 20' ' ' PHE . 66.9 t -89.76 138.48 19.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 10.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.596 ' CE3' ' O ' ' A' ' 30' ' ' LYS . 14.1 p90 -167.89 142.34 3.57 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.974 -1.121 . . . . 10.0 107.974 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.429 ' O ' ' HA ' ' A' ' 96' ' ' ASP . . . -151.78 -169.78 17.72 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.445 1.091 . . . . 10.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.4 m -157.51 122.13 4.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 0.761 . . . . 10.0 109.984 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.798 HG21 HD13 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -84.3 167.01 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 10.0 109.291 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.53 ' N ' HG23 ' A' ' 35' ' ' ILE . 22.8 mttt -156.21 114.64 3.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 10.0 109.263 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.452 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 129.03 -42.35 1.44 Allowed Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.488 1.118 . . . . 10.0 110.996 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 1.119 HD11 HG21 ' A' ' 119' ' ' VAL . 0.6 OUTLIER -53.33 -169.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 0.805 . . . . 10.0 109.293 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.5 p -141.71 147.6 37.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 10.0 110.429 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.636 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 1.4 tt0 -42.93 104.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 10.0 110.289 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.614 ' O ' ' CE1' ' A' ' 43' ' ' HIS . . . 165.21 -178.1 40.35 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.5 1.125 . . . . 10.0 111.002 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.581 HD12 ' N ' ' A' ' 42' ' ' LEU . 4.5 mp -89.01 131.63 35.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 0.77 . . . . 10.0 109.33 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.904 ' CD2' HD22 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -107.66 150.5 26.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 10.0 109.599 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.477 ' HA3' ' CG ' ' A' ' 120' ' ' HIS . . . -42.07 162.5 0.03 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.511 1.132 . . . . 10.0 110.988 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.614 ' O ' ' CD2' ' A' ' 48' ' ' HIS . 5.5 m-85 -78.14 128.28 33.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 0.759 . . . . 10.0 110.996 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.524 ' ND1' HD22 ' A' ' 117' ' ' LEU . 0.4 OUTLIER -64.5 175.33 1.41 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 10.0 109.583 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.482 HG23 ' CG ' ' A' ' 46' ' ' HIS . 24.6 t 69.53 59.44 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 10.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.614 ' CD2' ' O ' ' A' ' 45' ' ' PHE . 8.1 m-70 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 10.0 109.564 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 110.999 -0.84 . . . . 10.0 110.999 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -47.7 128.25 12.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 0.747 . . . . 10.0 109.309 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 9.2 tt -131.01 -51.55 1.04 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 10.0 109.3 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.543 ' HA2' ' CE2' ' A' ' 45' ' ' PHE . . . 170.92 160.91 20.61 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.495 1.122 . . . . 10.0 110.984 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.606 ' OD1' ' CD1' ' A' ' 45' ' ' PHE . 2.1 m-20 -86.09 150.53 24.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.53 0.782 . . . . 10.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.695 HG11 HD11 ' A' ' 117' ' ' LEU . 1.1 m -110.61 134.0 54.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 10.0 109.26 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.407 ' HA ' ' O ' ' A' ' 41' ' ' GLY . 90.2 m -107.5 147.58 30.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 10.0 110.379 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.636 ' HB3' ' HA ' ' A' ' 40' ' ' GLU . . . -86.56 175.63 8.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 10.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.441 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 11.6 t0 -83.69 -96.69 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 10.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.441 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 10.8 ptmt -135.33 8.53 3.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 10.0 109.263 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -157.5 25.43 0.29 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 10.0 109.308 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.611 ' CA ' ' HB1' ' A' ' 89' ' ' ALA . . . 97.05 -42.24 2.2 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.467 1.105 . . . . 10.0 110.958 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.432 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 21.6 t -39.27 98.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.471 0.748 . . . . 10.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.593 ' HB3' ' HB ' ' A' ' 35' ' ' ILE . . . -101.49 113.14 25.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 10.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.429 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 1.1 t70 -111.61 144.4 40.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 10.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.443 HG12 ' N ' ' A' ' 98' ' ' SER . 44.0 t -120.83 162.81 19.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.55 1.156 . . . . 10.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.443 ' N ' HG12 ' A' ' 97' ' ' VAL . 1.1 t -167.97 95.9 0.42 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 10.0 110.036 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 4.2 mt -125.86 143.26 39.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 10.0 109.322 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -125.4 86.63 2.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 10.0 110.275 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.476 ' O ' ' HA ' ' A' ' 28' ' ' PRO . 0.1 OUTLIER -106.9 137.69 44.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 10.0 109.288 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 77.0 p -116.77 31.92 6.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 10.0 110.044 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 98.2 t -106.09 -50.06 8.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 10.0 109.299 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.837 HG13 HG21 ' A' ' 112' ' ' ILE . 0.2 OUTLIER -68.89 -176.67 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 10.0 109.28 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . 0.416 ' O ' ' N ' ' A' ' 111' ' ' SER . 0.9 OUTLIER -175.61 152.33 1.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 10.0 110.003 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.464 ' CD1' ' HG2' ' A' ' 22' ' ' GLN . 1.8 mp -89.99 7.23 38.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 10.0 109.342 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -93.76 -179.17 4.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 10.0 109.996 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -72.95 80.05 0.71 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.486 1.116 . . . . 10.0 110.982 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -167.9 -58.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 0.754 . . . . 10.0 109.325 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 48.2 m80 -112.57 -42.13 3.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 10.0 109.616 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.416 ' N ' ' O ' ' A' ' 105' ' ' SER . 37.2 t 45.89 93.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 10.0 109.992 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.837 HG21 HG13 ' A' ' 104' ' ' ILE . 30.6 pt -84.87 -19.8 8.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.426 1.079 . . . . 10.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.484 HD13 HG22 ' A' ' 149' ' ' ILE . 11.1 mm -54.81 129.7 16.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 10.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 121.03 2.04 11.25 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.508 1.13 . . . . 10.0 111.044 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.422 ' NH1' ' HA ' ' A' ' 112' ' ' ILE . 0.1 OUTLIER -93.32 136.04 33.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 0.751 . . . . 10.0 110.303 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.448 ' HB ' ' CG2' ' A' ' 148' ' ' VAL . 3.6 t -129.85 131.82 46.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 10.0 110.398 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.695 HD11 HG11 ' A' ' 87' ' ' VAL . 0.1 OUTLIER -83.72 77.98 9.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 10.0 109.327 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.603 HG21 ' HG2' ' A' ' 143' ' ' ARG . 2.9 p -99.77 126.08 53.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.12 . . . . 10.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 1.119 HG21 HD11 ' A' ' 38' ' ' LEU . 18.2 m -102.54 151.82 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 10.0 109.362 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.477 ' CG ' ' HA3' ' A' ' 44' ' ' GLY . 28.7 m170 -86.43 170.61 11.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 10.0 109.616 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.408 ' HB2' ' CB ' ' A' ' 142' ' ' SER . 0.0 OUTLIER -69.73 -15.92 63.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.576 1.172 . . . . 10.0 110.288 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.504 ' HB2' ' HB1' ' A' ' 140' ' ' ALA . 1.7 tttt -138.72 -157.77 0.8 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 10.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -85.32 -159.71 0.46 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 10.0 109.317 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.422 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 0.2 OUTLIER -162.37 97.59 1.0 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 10.0 109.302 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . 0.466 ' O ' ' N ' ' A' ' 127' ' ' GLY . 0.7 OUTLIER -130.61 101.16 5.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.132 . . . . 10.0 109.295 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.5 mp -68.94 54.1 0.09 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.453 1.096 . . . . 10.0 109.308 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 125' ' ' ASP . . . 171.95 71.06 0.04 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.535 1.147 . . . . 10.0 110.977 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -111.74 -30.42 7.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 0.756 . . . . 10.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 156.79 -41.2 0.55 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.535 1.147 . . . . 10.0 110.981 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -104.41 119.72 6.37 Favored Glycine 0 CA--C 1.529 0.967 0 N-CA-C 111.004 -0.838 . . . . 10.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . 0.495 ' O ' ' CB ' ' A' ' 132' ' ' GLU . 1.2 p30 -100.82 107.5 19.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 0.754 . . . . 10.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.495 ' CB ' ' O ' ' A' ' 131' ' ' ASN . 10.8 tt0 161.05 -27.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 10.0 110.296 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -116.03 -34.45 4.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 10.0 110.32 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 9.4 p -96.45 -3.78 42.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 10.0 110.017 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -88.12 -25.17 23.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 10.0 110.42 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 9.5 pttt -103.12 -33.68 9.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 10.0 109.348 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 70.2 p -129.48 -91.78 0.46 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 10.0 110.409 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 171.97 40.71 0.04 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.525 1.141 . . . . 10.0 110.993 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 49.7 t30 52.6 22.46 2.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 0.758 . . . . 10.0 109.336 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.504 ' HB1' ' HB2' ' A' ' 122' ' ' LYS . . . -169.87 68.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 10.0 109.295 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -95.52 88.71 1.1 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.549 1.156 . . . . 10.0 110.971 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . 0.408 ' CB ' ' HB2' ' A' ' 121' ' ' GLU . 0.3 OUTLIER -134.95 84.94 2.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 0.742 . . . . 10.0 110.025 179.943 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . 0.603 ' HG2' HG21 ' A' ' 118' ' ' VAL . 1.1 tmm_? -38.11 154.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 10.0 110.255 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.823 HD12 HG23 ' A' ' 119' ' ' VAL . 63.7 mt -130.4 -105.3 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 10.0 109.33 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . 0.617 ' HB3' HD12 ' A' ' 8' ' ' LEU . . . -87.49 175.21 8.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 10.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 7.6 p -148.35 70.27 1.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 10.0 108.329 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . 0.688 ' C ' ' HB1' ' A' ' 6' ' ' ALA . . . -70.61 63.86 0.85 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.497 1.123 . . . . 10.0 110.968 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.448 ' CG2' ' HB ' ' A' ' 116' ' ' THR . 2.3 t -58.97 115.45 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 0.769 . . . . 10.0 109.288 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 149' ' ' ILE . . . . . 0.564 HG12 ' CE1' ' A' ' 20' ' ' PHE . 1.7 mp -60.97 115.38 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 10.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -127.56 131.7 7.22 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.53 1.144 . . . . 10.0 111.029 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 17.9 mm -40.7 148.2 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 0.753 . . . . 10.0 109.257 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . 0.702 ' HB2' ' CG2' ' A' ' 5' ' ' VAL . . . -104.12 174.84 5.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 10.0 109.254 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 10.0 110.262 -179.953 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 1.05 HG21 HD12 ' A' ' 151' ' ' ILE . 2.0 m . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.382 -0.229 . . . . 10.0 110.382 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.458 ' CG ' ' O ' ' A' ' 20' ' ' PHE . 20.1 ttpt -140.08 110.67 6.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 10.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.914 ' HB3' ' HB2' ' A' ' 20' ' ' PHE . . . -84.22 168.44 15.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 10.0 109.32 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.491 HG23 ' CB ' ' A' ' 152' ' ' ALA . 2.3 t -143.22 159.48 17.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 10.0 109.272 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.703 ' HB3' HG23 ' A' ' 18' ' ' ILE . . . -152.68 92.29 1.65 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 10.0 109.336 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.2 m -84.21 95.91 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 10.0 109.31 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.798 HD13 ' H ' ' A' ' 147' ' ' GLY . 4.6 mm? -41.62 140.25 0.99 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 10.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.63 -67.1 0.76 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.164 . . . . 10.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 64.76 115.52 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.511 1.132 . . . . 10.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.2 -19.81 3.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 0.781 . . . . 10.0 109.261 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.517 ' N ' ' CD ' ' A' ' 13' ' ' PRO . . . 161.9 -49.53 0.34 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.483 1.115 . . . . 10.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.517 ' CD ' ' N ' ' A' ' 12' ' ' GLY . 18.2 Cg_endo -75.04 7.49 2.86 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.497 1.788 . . . . 10.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.472 HG11 ' HB2' ' A' ' 145' ' ' ALA . 2.7 t -140.12 152.92 22.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 10.0 109.299 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 176.84 54.72 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.105 . . . . 10.0 110.334 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.488 ' CA ' ' HA ' ' A' ' 35' ' ' ILE . . . -74.43 171.97 52.62 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.54 1.15 . . . . 10.0 111.002 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.434 HG13 ' C ' ' A' ' 16' ' ' GLY . 63.6 mt -142.84 105.1 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.456 0.739 . . . . 10.0 109.271 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 1.029 HD12 ' N ' ' A' ' 19' ' ' ASN . 0.1 OUTLIER -109.29 134.29 51.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 10.0 109.282 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 1.029 ' N ' HD12 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -122.22 143.6 49.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 10.0 109.283 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.914 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 2.2 m-85 -108.77 134.86 50.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 10.0 111.022 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.511 ' HB2' ' CH2' ' A' ' 32' ' ' TRP . 0.0 OUTLIER -128.55 125.62 38.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 10.0 110.319 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.643 ' HB2' HG22 ' A' ' 29' ' ' VAL . 1.6 tt0 -141.0 86.18 2.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 10.0 110.325 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.2 mtpt -86.73 45.5 1.26 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 10.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.42 ' HB3' ' N ' ' A' ' 27' ' ' GLY . 0.8 OUTLIER -155.7 137.44 14.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 10.0 110.3 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -78.78 -11.59 59.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 10.0 109.962 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -155.56 32.63 0.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 10.0 109.327 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.42 ' N ' ' HB3' ' A' ' 24' ' ' GLU . . . -111.23 -167.94 18.75 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.5 1.125 . . . . 10.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.46 ' HA ' ' O ' ' A' ' 101' ' ' ASP . 18.4 Cg_endo -75.06 -174.75 2.06 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.444 1.76 . . . . 10.0 110.975 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.827 ' O ' HG23 ' A' ' 31' ' ' VAL . 85.3 t -134.97 92.2 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 10.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.506 ' O ' ' CZ3' ' A' ' 32' ' ' TRP . 16.4 mtpt -53.89 94.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 10.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.827 HG23 ' O ' ' A' ' 29' ' ' VAL . 90.4 t -96.07 129.12 46.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 10.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.511 ' CH2' ' HB2' ' A' ' 21' ' ' GLU . 17.3 p90 -161.36 141.36 10.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 10.0 108.021 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -152.32 -167.76 15.68 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.513 1.133 . . . . 10.0 110.979 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 60.3 p -156.56 121.13 4.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 0.792 . . . . 10.0 110.02 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.957 HG21 HD12 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -84.51 165.12 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 10.0 109.318 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.476 ' N ' ' CG2' ' A' ' 35' ' ' ILE . 66.3 mttt -154.46 118.78 4.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 10.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 122.7 -30.77 5.01 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.498 1.124 . . . . 10.0 110.982 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.957 HD12 HG21 ' A' ' 35' ' ' ILE . 3.0 mt -55.36 -166.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 0.731 . . . . 10.0 109.268 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.7 p -137.1 145.34 43.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.456 1.098 . . . . 10.0 110.423 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.703 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 5.1 tm-20 -53.68 96.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 10.0 110.294 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.453 ' O ' ' NE2' ' A' ' 43' ' ' HIS . . . -175.27 176.97 47.33 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.527 1.142 . . . . 10.0 110.965 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.8 HD23 ' OG1' ' A' ' 88' ' ' THR . 1.8 mt -92.62 128.4 38.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 0.781 . . . . 10.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.522 ' C ' ' HB2' ' A' ' 123' ' ' ALA . 0.0 OUTLIER -125.61 150.86 47.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 10.0 109.57 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.78 -163.67 0.04 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.476 1.11 . . . . 10.0 110.979 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.596 ' CD2' ' HA ' ' A' ' 83' ' ' ASP . 1.2 t80 -94.55 175.0 6.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 0.775 . . . . 10.0 111.016 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.481 ' CD2' ' H ' ' A' ' 46' ' ' HIS . 0.0 OUTLIER -120.91 73.55 1.03 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 10.0 109.588 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.465 HG23 ' CD2' ' A' ' 45' ' ' PHE . 21.7 t -152.44 88.05 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 10.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.611 ' CE1' ' NE2' ' A' ' 120' ' ' HIS . 3.0 m-70 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 10.0 109.588 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 110.993 -0.843 . . . . 10.0 110.993 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.596 ' HA ' ' CD2' ' A' ' 45' ' ' PHE . 3.8 m-20 -116.29 146.34 42.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 0.752 . . . . 10.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.2 tp -82.24 -53.62 5.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 10.0 109.25 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -169.9 -133.16 1.55 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.499 1.124 . . . . 10.0 110.972 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 -126.6 143.35 51.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.435 0.727 . . . . 10.0 109.341 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -99.18 178.89 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 10.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.8 ' OG1' HD23 ' A' ' 42' ' ' LEU . 87.4 m -154.81 147.88 24.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 10.0 110.45 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.703 ' HB3' ' HA ' ' A' ' 40' ' ' GLU . . . -86.68 174.7 8.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 10.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.445 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 12.4 t0 -87.36 -97.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 10.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.445 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 39.9 pttt -137.31 10.09 2.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.086 . . . . 10.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -148.34 19.26 1.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 10.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.493 ' CA ' ' HB1' ' A' ' 89' ' ' ALA . . . 89.84 -27.73 7.83 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.483 1.114 . . . . 10.0 110.989 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.477 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 40.0 t -47.1 107.13 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.489 0.758 . . . . 10.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -113.05 117.3 31.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 10.0 109.289 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -111.89 147.27 36.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 10.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.466 HG12 ' N ' ' A' ' 98' ' ' SER . 93.3 t -121.94 163.36 20.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 10.0 109.317 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.466 ' N ' HG12 ' A' ' 97' ' ' VAL . 22.7 t -169.0 97.32 0.36 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 10.0 109.984 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.408 HG22 ' N ' ' A' ' 100' ' ' GLU . 3.4 mt -130.65 160.54 41.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 10.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.408 ' N ' HG22 ' A' ' 99' ' ' ILE . 3.9 mt-10 -127.29 88.05 2.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 10.0 110.28 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.46 ' O ' ' HA ' ' A' ' 28' ' ' PRO . 8.8 m-20 -87.89 117.86 27.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 10.0 109.266 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.434 ' CA ' ' HB3' ' A' ' 28' ' ' PRO . 1.1 p -111.18 21.33 16.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 10.0 110.018 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -110.79 -23.21 4.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 10.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.939 HD13 HD13 ' A' ' 112' ' ' ILE . 1.6 pp -107.48 179.5 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 10.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . 0.496 ' N ' HD12 ' A' ' 104' ' ' ILE . 3.1 m -177.37 179.5 0.95 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 10.0 109.982 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.6 HD22 HD11 ' A' ' 113' ' ' ILE . 0.4 OUTLIER -93.89 38.03 1.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 10.0 109.258 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 111' ' ' SER . 0.4 OUTLIER -122.43 148.74 44.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 10.0 109.999 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.596 ' O ' ' CB ' ' A' ' 109' ' ' ASP . . . -46.29 147.62 2.62 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.531 1.144 . . . . 10.0 111.021 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.596 ' CB ' ' O ' ' A' ' 108' ' ' GLY . 18.6 t0 89.98 -37.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 0.768 . . . . 10.0 109.329 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . 0.407 ' O ' HG23 ' A' ' 112' ' ' ILE . 57.3 m80 -124.51 3.09 8.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 10.0 109.617 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 107' ' ' SER . 79.2 p -38.13 114.16 0.34 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 10.0 109.984 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.939 HD13 HD13 ' A' ' 104' ' ' ILE . 34.9 pt -95.22 -32.03 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 10.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.6 HD11 HD22 ' A' ' 106' ' ' LEU . 31.0 mm -41.82 117.21 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.1 . . . . 10.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 116.6 27.82 2.7 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.451 1.095 . . . . 10.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.693 ' HB2' HD13 ' A' ' 149' ' ' ILE . 5.5 mmt180 -86.8 66.77 9.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 0.737 . . . . 10.0 110.302 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.579 ' OG1' HG22 ' A' ' 148' ' ' VAL . 55.3 m -41.94 94.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.441 1.088 . . . . 10.0 110.351 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.468 ' N ' ' O ' ' A' ' 115' ' ' ARG . 0.2 OUTLIER -70.4 111.54 6.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 10.0 109.293 179.952 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 145' ' ' ALA . 7.6 p -138.15 117.28 14.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 10.0 109.28 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 5.4 m -67.82 145.4 13.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 10.0 109.323 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.611 ' NE2' ' CE1' ' A' ' 48' ' ' HIS . 0.4 OUTLIER -84.48 137.54 33.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 10.0 109.549 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -43.95 -35.88 2.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 10.0 110.255 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 7.9 tttt -164.42 145.19 8.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 10.0 109.284 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.522 ' HB2' ' C ' ' A' ' 43' ' ' HIS . . . -73.56 -175.89 2.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 10.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.402 ' CG ' ' O ' ' A' ' 124' ' ' ASP . 34.8 t0 -93.09 24.98 3.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 10.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 50.68 34.22 9.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 10.0 109.28 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 17.9 mt 57.12 19.8 5.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 10.0 109.333 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 121.73 115.49 2.35 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.519 1.137 . . . . 10.0 111.01 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 2.4 pttp -110.49 -29.73 7.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 0.768 . . . . 10.0 109.33 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 130.4 -52.3 0.83 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.508 1.13 . . . . 10.0 110.973 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -38.27 152.36 0.03 OUTLIER Glycine 0 CA--C 1.529 0.964 0 N-CA-C 111.003 -0.839 . . . . 10.0 111.003 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . 0.498 ' O ' ' CB ' ' A' ' 132' ' ' GLU . 84.8 m-20 -133.02 130.85 39.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 0.768 . . . . 10.0 109.29 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.498 ' CB ' ' O ' ' A' ' 131' ' ' ASN . 0.0 OUTLIER 86.35 18.78 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 10.0 110.294 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -139.97 -72.56 0.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 10.0 110.3 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 83.9 p -82.52 -15.87 50.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 10.0 110.01 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 17.3 p -68.71 -21.0 64.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 10.0 110.381 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -109.07 -32.9 7.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 10.0 109.259 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . 0.401 ' OG1' ' N ' ' A' ' 138' ' ' GLY . 81.6 p -121.94 -99.75 0.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 10.0 110.383 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . 0.401 ' N ' ' OG1' ' A' ' 137' ' ' THR . . . 174.58 38.98 0.04 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.52 1.138 . . . . 10.0 110.98 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 50.21 25.43 1.79 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 0.76 . . . . 10.0 109.356 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 141' ' ' GLY . . . -120.77 -57.98 1.85 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.486 1.116 . . . . 10.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 140' ' ' ALA . . . 36.79 91.97 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.477 1.111 . . . . 10.0 110.971 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -167.81 114.91 0.73 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 0.773 . . . . 10.0 109.976 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.4 mpt_? -84.19 141.36 31.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.097 . . . . 10.0 110.287 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.4 mp -125.64 -59.24 1.37 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 10.0 109.266 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . 0.472 ' HB2' HG11 ' A' ' 14' ' ' VAL . . . -110.74 170.51 8.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 10.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -155.87 69.95 0.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.578 1.174 . . . . 10.0 108.281 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . 0.798 ' H ' HD13 ' A' ' 8' ' ' LEU . . . -49.55 -48.91 34.4 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.51 1.131 . . . . 10.0 110.968 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.579 HG22 ' OG1' ' A' ' 116' ' ' THR . 3.6 t 65.12 126.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.476 0.75 . . . . 10.0 109.312 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 149' ' ' ILE . . . . . 0.767 ' N ' HD12 ' A' ' 149' ' ' ILE . 2.1 mp -89.22 118.7 35.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 10.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -132.45 127.53 4.89 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.558 1.161 . . . . 10.0 111.005 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . 1.05 HD12 HG21 ' A' ' 2' ' ' THR . 20.2 mm -42.33 143.34 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.522 0.777 . . . . 10.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . 0.491 ' CB ' HG23 ' A' ' 5' ' ' VAL . . . -142.56 164.58 29.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 10.0 109.301 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 10.0 110.298 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.576 HG23 ' CD1' ' A' ' 151' ' ' ILE . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.394 -0.225 . . . . 10.0 110.394 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -108.98 106.72 16.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.113 . . . . 10.0 109.247 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 1.124 ' HB1' HG23 ' A' ' 149' ' ' ILE . . . -87.32 150.73 23.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 10.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.0 t -129.18 150.49 34.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 10.0 109.287 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.619 ' HB3' HG23 ' A' ' 18' ' ' ILE . . . -153.37 88.89 1.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 10.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.439 ' O ' HG13 ' A' ' 7' ' ' VAL . 6.2 p -84.12 101.8 9.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 10.0 109.271 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.673 HD11 ' HB3' ' A' ' 117' ' ' LEU . 0.8 OUTLIER -51.05 133.54 27.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 10.0 109.332 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.469 ' N ' ' HB1' ' A' ' 145' ' ' ALA . 0.2 OUTLIER -159.04 130.58 6.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 10.0 109.309 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 11' ' ' ASP . . . 177.88 -101.03 0.15 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.546 1.154 . . . . 10.0 110.951 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 10' ' ' GLY . 26.9 t0 -38.16 -51.82 1.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 0.758 . . . . 10.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.468 ' N ' ' CD ' ' A' ' 13' ' ' PRO . . . 146.23 -53.02 0.56 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.467 1.104 . . . . 10.0 111.018 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.481 ' O ' ' N ' ' A' ' 15' ' ' GLN . 18.3 Cg_endo -75.01 -41.34 0.67 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.532 1.806 . . . . 10.0 111.02 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.461 ' O ' HG12 ' A' ' 14' ' ' VAL . 55.6 t -62.3 79.15 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 10.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.481 ' N ' ' O ' ' A' ' 13' ' ' PRO . 0.0 OUTLIER -108.73 37.72 2.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 10.0 110.275 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.478 ' N ' ' HB2' ' A' ' 8' ' ' LEU . . . -56.37 164.65 5.15 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.556 1.16 . . . . 10.0 111.012 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.412 HG13 ' O ' ' A' ' 16' ' ' GLY . 39.4 mt -141.67 102.98 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.433 0.725 . . . . 10.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.796 HD12 ' N ' ' A' ' 19' ' ' ASN . 0.1 OUTLIER -109.13 129.61 63.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.12 . . . . 10.0 109.27 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.796 ' N ' HD12 ' A' ' 18' ' ' ILE . 0.1 OUTLIER -125.26 141.53 52.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.145 . . . . 10.0 109.29 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.959 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 12.0 m-85 -113.22 111.88 22.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 10.0 110.968 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 30' ' ' LYS . 22.5 tt0 -110.71 139.77 45.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 10.0 110.305 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 37.6 tt0 -139.98 80.09 1.75 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 10.0 110.324 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -73.62 58.36 0.6 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 10.0 109.325 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.481 ' O ' ' CB ' ' A' ' 25' ' ' SER . 0.2 OUTLIER -155.88 -48.0 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 10.0 110.302 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.481 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 1.1 t 83.39 -8.56 1.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 10.0 109.997 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -159.83 27.32 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 10.0 109.307 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -129.93 -154.96 8.24 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.486 1.117 . . . . 10.0 110.972 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.462 ' HA ' ' O ' ' A' ' 101' ' ' ASP . 18.3 Cg_endo -74.99 136.68 20.74 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.482 1.78 . . . . 10.0 111.018 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.429 ' O ' HG23 ' A' ' 31' ' ' VAL . 97.4 t -91.61 114.36 28.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 10.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 21' ' ' GLU . 4.8 mttm -72.0 93.82 1.42 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 10.0 109.278 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.581 HG22 ' CD2' ' A' ' 20' ' ' PHE . 25.0 t -88.85 130.1 38.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 10.0 109.305 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -159.51 148.65 18.11 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.012 -1.107 . . . . 10.0 108.012 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.448 ' O ' ' HA ' ' A' ' 96' ' ' ASP . . . -164.69 -172.44 32.16 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.493 1.121 . . . . 10.0 110.967 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.7 p -156.9 121.45 4.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 0.755 . . . . 10.0 110.057 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.927 ' O ' HG13 ' A' ' 94' ' ' VAL . 0.6 OUTLIER -90.71 165.82 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 10.0 109.342 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.606 ' HG2' HG22 ' A' ' 94' ' ' VAL . 53.2 mttt -149.38 115.36 5.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 10.0 109.258 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.523 ' O ' ' N ' ' A' ' 39' ' ' THR . . . 127.0 -48.22 0.98 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.522 1.139 . . . . 10.0 110.974 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.988 HD11 HG21 ' A' ' 119' ' ' VAL . 1.1 mp -58.09 81.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 0.774 . . . . 10.0 109.361 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.523 ' N ' ' O ' ' A' ' 37' ' ' GLY . 71.9 p -37.67 153.96 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 10.0 110.429 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.928 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 6.6 pt-20 -44.02 125.45 4.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 10.0 110.317 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.447 ' O ' ' CD2' ' A' ' 43' ' ' HIS . . . 141.25 170.97 12.45 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.451 1.094 . . . . 10.0 111.006 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.509 HD23 HD22 ' A' ' 86' ' ' ASN . 8.0 mp -72.1 155.66 40.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 0.753 . . . . 10.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.912 ' CG ' HD23 ' A' ' 38' ' ' LEU . 81.5 m-70 -154.47 75.05 0.98 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 10.0 109.631 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 43' ' ' HIS . . . 32.96 -138.3 0.11 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.467 1.104 . . . . 10.0 110.983 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.648 ' CE1' ' NE2' ' A' ' 46' ' ' HIS . 33.0 t80 -150.42 174.02 13.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 0.749 . . . . 10.0 110.973 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.648 ' NE2' ' CE1' ' A' ' 45' ' ' PHE . 0.1 OUTLIER -94.94 174.46 7.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 10.0 109.586 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.456 HG23 ' C ' ' A' ' 46' ' ' HIS . 4.2 t 74.81 60.37 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 10.0 109.265 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.482 ' O ' ' CD2' ' A' ' 48' ' ' HIS . 19.0 p-80 . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.536 1.148 . . . . 10.0 109.559 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.408 ' O ' ' CB ' ' A' ' 83' ' ' ASP . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.037 -0.825 . . . . 10.0 111.037 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.463 ' O ' ' CD2' ' A' ' 84' ' ' LEU . 12.1 t0 75.45 83.91 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 0.755 . . . . 10.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.576 ' HB2' ' CZ ' ' A' ' 45' ' ' PHE . 0.1 OUTLIER 175.28 -80.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 10.0 109.308 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 156.0 -119.98 0.96 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.458 1.099 . . . . 10.0 111.02 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.509 HD22 HD23 ' A' ' 42' ' ' LEU . 66.3 m-20 -135.88 134.63 38.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.764 . . . . 10.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.407 ' O ' ' HA ' ' A' ' 42' ' ' LEU . 34.8 m -86.33 151.53 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 10.0 109.282 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -134.8 148.29 50.16 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 10.0 110.368 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.928 ' HB3' ' HA ' ' A' ' 40' ' ' GLU . . . -85.15 173.56 10.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 10.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.424 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 8.5 t0 -88.39 -98.08 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 10.0 109.279 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.424 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 29.0 pttt -137.61 11.69 2.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 10.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -137.72 13.56 2.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 10.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.475 ' HA2' ' O ' ' A' ' 38' ' ' LEU . . . 84.64 -6.58 77.09 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.485 1.116 . . . . 10.0 111.009 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.927 HG13 ' O ' ' A' ' 35' ' ' ILE . 96.7 t -79.1 136.19 24.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.503 0.766 . . . . 10.0 109.352 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -124.94 117.58 24.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 10.0 109.317 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.448 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 1.5 p-10 -102.04 152.22 21.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 10.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 46.5 t -127.32 159.43 37.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 10.0 109.344 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 51.0 p -169.31 92.68 0.26 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 10.0 109.994 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 32.2 mt -136.57 158.88 37.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 10.0 109.281 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.415 ' CG ' ' O ' ' A' ' 100' ' ' GLU . 1.5 pt-20 -126.56 96.03 4.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 10.0 110.321 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.462 ' O ' ' HA ' ' A' ' 28' ' ' PRO . 1.2 m-20 -92.82 131.95 37.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 10.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 15.2 p -113.03 -47.06 3.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 10.0 109.981 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 85.6 t -44.92 -52.73 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 10.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.778 HD12 ' C ' ' A' ' 104' ' ' ILE . 1.7 pp -68.94 177.11 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 10.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.05 158.08 41.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 10.0 110.002 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -76.93 -28.44 55.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 10.0 109.258 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.68 158.8 40.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 10.0 110.018 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 124.98 -82.87 0.35 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.476 1.11 . . . . 10.0 110.985 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -135.85 -49.96 0.7 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 0.744 . . . . 10.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 32.4 m80 -92.62 36.59 1.01 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.1 . . . . 10.0 109.585 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 46.3 t -48.97 117.3 2.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 10.0 109.995 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.472 HD12 ' CE2' ' A' ' 20' ' ' PHE . 13.3 pt -85.24 -24.44 6.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 10.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 8.1 mt -49.33 132.88 7.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 10.0 109.275 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 102.22 22.91 9.43 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.502 1.126 . . . . 10.0 110.977 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 117' ' ' LEU . 22.6 mtt180 -84.02 79.69 9.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 0.747 . . . . 10.0 110.312 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.91 HG23 HG23 ' A' ' 148' ' ' VAL . 15.1 m -54.15 89.12 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 10.0 110.432 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.673 ' HB3' HD11 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -61.35 112.94 2.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 10.0 109.318 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 145' ' ' ALA . 8.0 p -144.22 107.75 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 10.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.988 HG21 HD11 ' A' ' 38' ' ' LEU . 29.5 m -70.99 178.6 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 10.0 109.332 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.472 ' CD2' ' CE1' ' A' ' 48' ' ' HIS . 10.4 m170 -98.98 161.25 13.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 10.0 109.629 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.4 ' CB ' ' HB2' ' A' ' 142' ' ' SER . 3.8 tt0 -94.83 26.76 3.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 10.0 110.293 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 179.79 157.79 0.67 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 10.0 109.31 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -81.13 178.93 8.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 10.0 109.335 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.405 ' OD2' ' ND2' ' A' ' 86' ' ' ASN . 4.3 m-20 -116.75 90.75 3.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 10.0 109.3 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.52 -20.84 14.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 10.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 7.7 mt 58.29 19.32 6.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 10.0 109.278 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 172.7 76.72 0.05 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.497 1.123 . . . . 10.0 111.003 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 11.4 mttm -94.47 -24.01 17.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 0.779 . . . . 10.0 109.279 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 127.02 -38.13 2.23 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.512 1.132 . . . . 10.0 111.017 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -68.34 -169.63 5.39 Favored Glycine 0 CA--C 1.531 1.047 0 N-CA-C 110.994 -0.842 . . . . 10.0 110.994 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . 0.436 ' HA ' ' CG2' ' A' ' 135' ' ' THR . 1.1 m-80 -152.93 144.22 23.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 0.775 . . . . 10.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 73.98 29.71 1.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 10.0 110.304 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -154.37 -62.2 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 10.0 110.28 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 90.5 p -87.67 -12.2 46.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 10.0 110.007 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . 0.436 ' CG2' ' HA ' ' A' ' 131' ' ' ASN . 12.4 p -78.98 -17.82 54.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 10.0 110.42 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.77 -31.86 7.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 10.0 109.313 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . 0.429 ' OG1' ' N ' ' A' ' 138' ' ' GLY . 59.2 p -138.71 -102.58 0.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 10.0 110.402 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . 0.429 ' N ' ' OG1' ' A' ' 137' ' ' THR . . . -160.69 28.07 0.31 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.482 1.113 . . . . 10.0 110.965 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 50.25 40.86 23.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 0.754 . . . . 10.0 109.319 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 141' ' ' GLY . . . -127.24 -61.96 1.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 10.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 140' ' ' ALA . . . 36.78 88.96 0.01 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.455 1.097 . . . . 10.0 111.001 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . 0.4 ' HB2' ' CB ' ' A' ' 121' ' ' GLU . 4.5 m -154.06 109.82 3.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 0.742 . . . . 10.0 109.983 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 15.3 mtp180 -61.91 172.05 1.47 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 10.0 110.336 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.543 HD13 HG23 ' A' ' 119' ' ' VAL . 2.6 mp -146.99 -71.55 0.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 10.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . 0.512 ' O ' HG23 ' A' ' 118' ' ' VAL . . . -121.7 167.38 13.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 10.0 109.344 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 146' ' ' CYS . . . . . 0.469 ' HB2' ' CG2' ' A' ' 116' ' ' THR . 0.6 OUTLIER -144.44 69.28 1.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 10.0 108.302 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . 0.418 ' H ' HD13 ' A' ' 8' ' ' LEU . . . -46.96 -51.76 12.97 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.485 1.115 . . . . 10.0 111.014 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.91 HG23 HG23 ' A' ' 116' ' ' THR . 3.8 t 65.91 138.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 0.779 . . . . 10.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 149' ' ' ILE . . . . . 1.124 HG23 ' HB1' ' A' ' 4' ' ' ALA . 2.5 mp -91.42 130.13 41.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 10.0 109.261 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -139.18 129.08 4.26 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.508 1.13 . . . . 10.0 111.034 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . 0.576 ' CD1' HG23 ' A' ' 2' ' ' THR . 23.1 mm -47.93 139.02 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.559 0.799 . . . . 10.0 109.273 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -141.28 171.36 14.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 10.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 10.0 110.296 -179.985 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.604 ' CG2' ' CD1' ' A' ' 151' ' ' ILE . 27.9 m . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.37 -0.233 . . . . 10.0 110.37 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.471 ' HA ' ' O ' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -84.68 120.86 26.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 10.0 109.313 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.635 ' HB3' ' HB2' ' A' ' 20' ' ' PHE . . . -107.01 164.33 12.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 10.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.879 HG23 ' CB ' ' A' ' 152' ' ' ALA . 17.6 t -132.79 166.54 29.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 10.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.839 ' HB3' HG23 ' A' ' 18' ' ' ILE . . . -156.64 95.82 1.58 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 10.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.664 ' O ' HG13 ' A' ' 7' ' ' VAL . 10.9 p -81.07 89.68 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 10.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 1.109 HD12 ' HB1' ' A' ' 145' ' ' ALA . 2.3 mm? -37.9 151.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 10.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 50.5 tttt -178.97 130.43 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 10.0 109.27 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -171.25 -104.07 0.17 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.507 1.129 . . . . 10.0 111.013 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.872 ' HB2' HD22 ' A' ' 144' ' ' LEU . 35.2 t0 -44.99 -68.06 0.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 0.769 . . . . 10.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.465 ' N ' ' CD ' ' A' ' 13' ' ' PRO . . . 163.0 -53.05 0.3 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.485 1.115 . . . . 10.0 110.983 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.465 ' CD ' ' N ' ' A' ' 12' ' ' GLY . 18.3 Cg_endo -74.98 -13.4 21.46 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.525 1.802 . . . . 10.0 110.995 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.513 HG11 ' HB2' ' A' ' 145' ' ' ALA . 0.5 OUTLIER -96.65 116.55 39.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 10.0 109.285 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -147.37 62.03 1.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 10.0 110.318 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.473 ' CA ' ' HA ' ' A' ' 35' ' ' ILE . . . -60.28 175.31 4.38 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.51 1.131 . . . . 10.0 110.974 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 53.7 mt -141.75 95.6 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.495 0.762 . . . . 10.0 109.288 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.962 HD12 ' N ' ' A' ' 19' ' ' ASN . 0.1 OUTLIER -107.77 136.5 42.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 10.0 109.272 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.962 ' N ' HD12 ' A' ' 18' ' ' ILE . 0.1 OUTLIER -130.92 147.31 52.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 10.0 109.308 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.759 ' CE1' HG13 ' A' ' 31' ' ' VAL . 2.8 m-85 -113.82 144.59 42.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.44 1.088 . . . . 10.0 111.009 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -140.25 143.34 35.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 10.0 110.292 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.639 ' CD ' HG22 ' A' ' 29' ' ' VAL . 4.4 tp60 -153.67 70.15 0.83 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 10.0 110.313 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -83.93 48.8 1.51 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 10.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.419 ' HB3' ' N ' ' A' ' 27' ' ' GLY . 10.9 mm-40 -155.78 142.63 18.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 10.0 110.321 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.8 m -81.68 -11.89 58.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 10.0 109.964 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -155.51 35.95 0.37 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 10.0 109.281 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.419 ' N ' ' HB3' ' A' ' 24' ' ' GLU . . . -113.9 171.26 13.7 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.48 1.112 . . . . 10.0 110.973 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.451 ' HA ' ' O ' ' A' ' 101' ' ' ASP . 18.3 Cg_endo -74.96 147.89 34.72 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.53 1.805 . . . . 10.0 111.017 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.89 ' O ' HG23 ' A' ' 31' ' ' VAL . 38.6 t -84.96 92.52 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 10.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.463 ' O ' ' CZ3' ' A' ' 32' ' ' TRP . 26.6 mttt -53.72 98.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 10.0 109.312 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.89 HG23 ' O ' ' A' ' 29' ' ' VAL . 59.1 t -103.01 124.57 57.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 10.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.463 ' CZ3' ' O ' ' A' ' 30' ' ' LYS . 33.1 p90 -148.76 141.37 24.44 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.999 -1.111 . . . . 10.0 107.999 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.409 ' O ' ' HA ' ' A' ' 96' ' ' ASP . . . -153.78 -174.65 24.21 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.454 1.096 . . . . 10.0 110.993 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.7 t -155.57 120.88 4.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 0.77 . . . . 10.0 109.973 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.725 HG21 HD13 ' A' ' 38' ' ' LEU . 0.5 OUTLIER -84.01 160.51 3.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 10.0 109.318 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.523 ' CG ' ' O ' ' A' ' 35' ' ' ILE . 49.9 mttt -156.77 103.61 2.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 10.0 109.283 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.431 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 161.56 -56.82 0.31 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.473 1.108 . . . . 10.0 110.994 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.725 HD13 HG21 ' A' ' 35' ' ' ILE . 1.1 mp -57.96 -156.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 0.742 . . . . 10.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.41 ' CA ' ' CA ' ' A' ' 93' ' ' GLY . 50.2 p -149.93 154.07 37.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 10.0 110.422 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.583 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 4.8 tt0 -40.37 115.75 0.59 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 10.0 110.314 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.513 ' C ' HD13 ' A' ' 42' ' ' LEU . . . 160.02 -148.91 18.01 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.474 1.109 . . . . 10.0 111.011 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.513 HD13 ' C ' ' A' ' 41' ' ' GLY . 0.4 OUTLIER -104.93 166.67 10.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 0.765 . . . . 10.0 109.31 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.562 ' CG ' HD22 ' A' ' 38' ' ' LEU . 34.4 m-70 -141.85 161.69 37.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 10.0 109.624 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.49 ' HA3' ' CG ' ' A' ' 120' ' ' HIS . . . -52.43 -99.51 0.01 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.471 1.107 . . . . 10.0 111.041 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.459 ' O ' ' NH2' ' A' ' 143' ' ' ARG . 24.0 t80 177.42 156.14 0.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 0.79 . . . . 10.0 110.967 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.507 ' ND1' HD13 ' A' ' 117' ' ' LEU . 0.0 OUTLIER -87.43 176.09 7.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 10.0 109.639 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.402 ' HB ' ' O ' ' A' ' 46' ' ' HIS . 11.5 t 74.21 129.21 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 10.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.443 ' O ' ' CG ' ' A' ' 48' ' ' HIS . 2.6 p-80 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 10.0 109.618 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.99 -0.844 . . . . 10.0 110.99 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.444 ' O ' ' CB ' ' A' ' 84' ' ' LEU . 4.2 m-20 62.68 -160.23 0.31 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 0.769 . . . . 10.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.444 ' CB ' ' O ' ' A' ' 83' ' ' ASP . 0.9 OUTLIER 83.42 -63.72 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.44 1.088 . . . . 10.0 109.321 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 110.06 -124.98 7.35 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.492 1.12 . . . . 10.0 110.994 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -100.46 174.24 6.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 0.781 . . . . 10.0 109.342 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.429 ' O ' ' HA ' ' A' ' 42' ' ' LEU . 2.2 t -116.61 158.81 16.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 10.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 12.3 m -121.42 146.42 46.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 10.0 110.416 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.61 ' HB1' ' C ' ' A' ' 93' ' ' GLY . . . -100.55 174.8 5.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 10.0 109.338 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.453 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 7.9 t0 -80.06 -96.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 10.0 109.325 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.453 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 51.4 pttt -137.3 12.08 3.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 10.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -159.58 28.17 0.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 10.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.61 ' C ' ' HB1' ' A' ' 89' ' ' ALA . . . 93.13 -40.77 2.77 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.502 1.126 . . . . 10.0 111.007 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.569 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 46.9 t -39.88 112.23 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.477 0.751 . . . . 10.0 109.337 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.412 ' H ' HG22 ' A' ' 35' ' ' ILE . . . -112.74 117.16 31.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 10.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.409 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 6.3 p-10 -102.67 149.26 24.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 10.0 109.302 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.521 HG12 HD12 ' A' ' 99' ' ' ILE . 18.4 t -131.08 156.13 42.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 10.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 12.9 t -174.0 96.11 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 10.0 109.978 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.521 HD12 HG12 ' A' ' 97' ' ' VAL . 2.0 mp -131.57 165.83 30.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 10.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.482 ' N ' HG22 ' A' ' 99' ' ' ILE . 4.3 pt-20 -130.24 90.8 3.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 10.0 110.29 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.451 ' O ' ' HA ' ' A' ' 28' ' ' PRO . 32.2 m-20 -96.87 125.86 41.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 10.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.86 -29.31 11.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 10.0 109.956 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 60.0 t -57.79 -50.42 77.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 10.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 1.011 HD13 HG21 ' A' ' 112' ' ' ILE . 1.8 pp -77.29 169.18 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 10.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 175.18 170.29 0.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 10.0 109.993 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.459 HD23 HG13 ' A' ' 113' ' ' ILE . 0.2 OUTLIER -90.26 54.03 2.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 10.0 109.317 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -107.57 167.62 9.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 10.0 110.048 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -79.69 52.93 4.24 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.483 1.115 . . . . 10.0 110.984 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -169.6 -51.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 0.782 . . . . 10.0 109.284 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . 0.403 ' O ' ' C ' ' A' ' 111' ' ' SER . 6.0 m80 -110.89 24.35 13.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 10.0 109.557 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 110' ' ' HIS . 54.9 p -38.97 136.57 0.77 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 10.0 110.014 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 1.011 HG21 HD13 ' A' ' 104' ' ' ILE . 28.5 pt -104.29 -34.48 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 10.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.459 HG13 HD23 ' A' ' 106' ' ' LEU . 8.2 mt -44.77 123.25 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 10.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 115.69 6.04 17.59 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.507 1.13 . . . . 10.0 111.053 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.407 ' O ' ' CD1' ' A' ' 149' ' ' ILE . 2.2 mtt180 -96.04 71.32 2.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 0.797 . . . . 10.0 110.319 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.57 ' HB ' HG22 ' A' ' 148' ' ' VAL . 2.0 t -61.93 141.95 57.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 10.0 110.395 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.736 ' O ' HD11 ' A' ' 8' ' ' LEU . 0.4 OUTLIER -88.17 79.44 7.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.128 . . . . 10.0 109.281 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.724 HG13 ' O ' ' A' ' 145' ' ' ALA . 2.6 t -78.21 144.44 11.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 10.0 109.314 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.41 HG22 ' HB3' ' A' ' 145' ' ' ALA . 33.9 m -141.45 130.79 24.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 10.0 109.312 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.49 ' CG ' ' HA3' ' A' ' 44' ' ' GLY . 8.6 m170 -84.94 157.36 20.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 10.0 109.586 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -49.98 -45.07 51.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 10.0 110.311 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.659 ' HB3' ' HB1' ' A' ' 140' ' ' ALA . 0.4 OUTLIER -149.04 156.91 42.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.15 . . . . 10.0 109.282 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.406 ' HB2' ' N ' ' A' ' 43' ' ' HIS . . . -63.82 -165.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 10.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.517 ' O ' ' CB ' ' A' ' 125' ' ' ASP . 3.5 t0 -111.08 -83.43 0.57 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 10.0 109.345 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . 0.517 ' CB ' ' O ' ' A' ' 124' ' ' ASP . 3.0 m-20 154.4 44.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 10.0 109.273 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 54.1 mt 42.1 27.66 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 10.0 109.293 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . 0.441 ' N ' ' C ' ' A' ' 125' ' ' ASP . . . 103.16 126.25 5.82 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.541 1.15 . . . . 10.0 110.99 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 4.2 pttt -102.88 -26.99 12.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 0.794 . . . . 10.0 109.328 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 120.5 -51.48 0.77 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.518 1.136 . . . . 10.0 110.984 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -50.56 -178.58 0.02 OUTLIER Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.992 -0.843 . . . . 10.0 110.992 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . 0.492 ' O ' ' CB ' ' A' ' 132' ' ' GLU . 39.3 m-20 -149.18 147.4 28.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 0.751 . . . . 10.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.492 ' CB ' ' O ' ' A' ' 131' ' ' ASN . 16.3 tt0 85.07 30.38 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 10.0 110.29 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -164.89 -54.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 10.0 110.239 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 2.0 p -93.25 -23.51 18.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 10.0 109.969 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 56.1 p -78.43 -10.09 59.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 10.0 110.416 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -110.9 -37.82 5.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 10.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 58.5 p -130.78 -98.58 0.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 10.0 110.433 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . 0.447 ' C ' ' N ' ' A' ' 140' ' ' ALA . . . -167.55 29.51 0.17 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.469 1.105 . . . . 10.0 111.027 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' ASN . . . . . 0.433 ' O ' ' ND2' ' A' ' 139' ' ' ASN . 30.9 t30 39.18 31.4 0.05 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 0.799 . . . . 10.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.659 ' HB1' ' HB3' ' A' ' 122' ' ' LYS . . . -128.55 -56.66 1.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 10.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -154.87 -126.19 1.01 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.478 1.111 . . . . 10.0 111.027 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 30.5 t 177.08 172.66 0.48 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 0.768 . . . . 10.0 109.989 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . 0.664 ' CD ' HG11 ' A' ' 118' ' ' VAL . 0.0 OUTLIER -39.13 133.64 1.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 10.0 110.285 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.872 HD22 ' HB2' ' A' ' 11' ' ' ASP . 20.5 mt -145.29 33.24 1.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 10.0 109.267 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . 1.109 ' HB1' HD12 ' A' ' 8' ' ' LEU . . . -173.87 159.41 3.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 10.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 146' ' ' CYS . . . . . 0.427 ' HA ' ' OG1' ' A' ' 116' ' ' THR . 3.5 m -155.58 66.31 0.62 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 10.0 108.27 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . 0.791 ' O ' ' HB1' ' A' ' 6' ' ' ALA . . . -75.55 63.52 2.64 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.518 1.136 . . . . 10.0 111.055 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.57 HG22 ' HB ' ' A' ' 116' ' ' THR . 28.0 t -54.02 130.58 15.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.475 0.75 . . . . 10.0 109.283 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 149' ' ' ILE . . . . . 0.766 HG13 ' HB2' ' A' ' 6' ' ' ALA . 1.8 mp -90.86 106.02 17.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 10.0 109.257 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -125.86 156.71 19.62 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.518 1.136 . . . . 10.0 111.026 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . 0.604 ' CD1' ' CG2' ' A' ' 2' ' ' THR . 6.9 mm -42.91 150.68 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 0.778 . . . . 10.0 109.263 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . 0.879 ' CB ' HG23 ' A' ' 5' ' ' VAL . . . -154.57 163.61 39.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 10.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 10.0 110.273 -179.964 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.994 HG22 HD12 ' A' ' 151' ' ' ILE . 1.9 m . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.38 -0.23 . . . . 10.0 110.38 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -86.48 145.7 26.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 10.0 109.323 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.762 ' HB3' ' HB2' ' A' ' 20' ' ' PHE . . . -128.28 167.3 17.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 10.0 109.253 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.9 t -139.84 153.13 22.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 10.0 109.351 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 1.037 ' HB2' HD13 ' A' ' 149' ' ' ILE . . . -155.8 83.85 1.02 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 10.0 109.28 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.627 HG23 ' O ' ' A' ' 7' ' ' VAL . 5.1 m -85.34 104.6 13.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 10.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.61 HD23 ' N ' ' A' ' 8' ' ' LEU . 2.0 mt -49.75 131.76 21.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 10.0 109.331 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.505 ' N ' ' HB1' ' A' ' 145' ' ' ALA . 2.2 ttmt -164.85 110.24 0.95 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 10.0 109.312 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -172.02 -79.26 0.05 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.477 1.111 . . . . 10.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -43.61 -57.69 3.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 0.746 . . . . 10.0 109.29 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 153.42 -64.97 0.34 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.533 1.146 . . . . 10.0 110.983 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.446 ' O ' ' N ' ' A' ' 15' ' ' GLN . 18.4 Cg_endo -75.02 -45.46 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.551 1.816 . . . . 10.0 111.004 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.521 HG21 HD13 ' A' ' 144' ' ' LEU . 94.3 t -55.72 89.34 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 10.0 109.258 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 13' ' ' PRO . 1.3 tt0 -117.5 44.03 2.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 10.0 110.315 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.436 ' CA ' ' HA ' ' A' ' 35' ' ' ILE . . . -58.17 162.77 9.51 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.474 1.109 . . . . 10.0 110.979 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 49.4 mt -137.75 95.43 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.537 0.787 . . . . 10.0 109.274 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.809 HG23 ' HB3' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -111.05 154.04 12.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 10.0 109.312 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.463 ' N ' HD13 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -135.81 173.07 12.12 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 10.0 109.342 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.762 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 2.5 m-85 -140.58 114.56 9.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 10.0 110.989 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 30' ' ' LYS . 21.9 tt0 -116.9 143.09 46.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 10.0 110.271 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.42 ' HB2' HG22 ' A' ' 29' ' ' VAL . 38.7 tt0 -138.94 93.78 2.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 10.0 110.294 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.47 52.99 2.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 10.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.512 ' O ' ' CB ' ' A' ' 25' ' ' SER . 1.0 OUTLIER -153.96 -45.78 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.155 . . . . 10.0 110.325 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.512 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 1.0 OUTLIER 85.74 -13.38 0.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 10.0 110.004 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -157.48 25.36 0.29 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 10.0 109.306 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -127.05 -146.77 6.55 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.537 1.148 . . . . 10.0 110.957 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.458 ' HA ' ' O ' ' A' ' 101' ' ' ASP . 18.4 Cg_endo -74.96 156.37 43.15 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.48 1.779 . . . . 10.0 110.977 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.527 HG11 ' HD2' ' A' ' 20' ' ' PHE . 93.7 t -115.02 119.88 63.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 10.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 21' ' ' GLU . 3.6 mttt -74.41 94.84 2.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.581 1.176 . . . . 10.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.581 HG13 ' CE1' ' A' ' 20' ' ' PHE . 25.5 t -89.87 133.88 30.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 10.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 1.4 p90 -165.36 140.6 5.12 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 10.0 108.025 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.447 ' CA ' ' HA ' ' A' ' 18' ' ' ILE . . . -160.76 -166.85 20.33 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.487 1.117 . . . . 10.0 110.993 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.8 m -157.72 120.71 3.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 0.764 . . . . 10.0 110.053 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.735 HG21 HD13 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -84.58 166.04 2.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 10.0 109.308 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.504 ' N ' HG23 ' A' ' 35' ' ' ILE . 4.1 mttm -156.51 107.82 2.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 10.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.443 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 146.44 -51.79 0.58 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.465 1.103 . . . . 10.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.798 HD11 HG21 ' A' ' 119' ' ' VAL . 3.1 mp -55.59 -163.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 0.783 . . . . 10.0 109.257 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.41 ' O ' ' C ' ' A' ' 40' ' ' GLU . 42.6 p -145.2 150.51 36.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 10.0 110.42 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.812 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -38.0 118.69 0.71 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 10.0 110.311 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.406 ' O ' ' HA ' ' A' ' 88' ' ' THR . . . 153.05 177.96 27.15 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.476 1.11 . . . . 10.0 111.014 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.0 mp -81.59 135.12 35.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 0.749 . . . . 10.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.698 ' NE2' ' HB2' ' A' ' 89' ' ' ALA . 59.8 m-70 -111.59 169.31 8.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 10.0 109.576 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.572 ' HA3' ' CD2' ' A' ' 120' ' ' HIS . . . -74.78 179.31 44.51 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.477 1.111 . . . . 10.0 111.042 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.591 ' CE1' ' OD1' ' A' ' 86' ' ' ASN . 16.7 m-85 -85.12 153.58 22.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 0.79 . . . . 10.0 110.979 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.507 ' CG ' HG23 ' A' ' 47' ' ' VAL . 4.3 p80 -76.42 175.5 9.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 10.0 109.596 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.507 HG23 ' CG ' ' A' ' 46' ' ' HIS . 6.1 t 73.98 134.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 10.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 39.4 p-80 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 10.0 109.589 -179.968 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.412 ' O ' ' O ' ' A' ' 83' ' ' ASP . . . . . . . . 0 CA--C 1.529 0.957 0 N-CA-C 111.033 -0.827 . . . . 10.0 111.033 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.412 ' O ' ' O ' ' A' ' 82' ' ' GLY . 1.9 m-20 -48.59 176.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 0.763 . . . . 10.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -141.68 -64.19 0.44 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 10.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.506 ' HA2' ' CE2' ' A' ' 45' ' ' PHE . . . -176.99 -169.4 38.19 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.556 1.16 . . . . 10.0 110.97 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.591 ' OD1' ' CE1' ' A' ' 45' ' ' PHE . 1.7 m-20 -84.95 123.79 30.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 0.788 . . . . 10.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.508 HG23 ' HB2' ' A' ' 43' ' ' HIS . 12.4 m -97.49 118.48 44.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 10.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' A' ' 41' ' ' GLY . 15.0 m -96.15 154.96 16.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 10.0 110.402 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.812 ' HB3' ' HA ' ' A' ' 40' ' ' GLU . . . -85.28 168.05 15.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 10.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.453 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 12.0 t0 -77.74 -96.86 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.496 1.123 . . . . 10.0 109.253 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.453 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 1.7 ptpt -134.71 8.87 3.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 10.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -159.45 26.74 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.571 1.17 . . . . 10.0 109.269 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.656 ' CA ' ' HB1' ' A' ' 89' ' ' ALA . . . 98.31 -44.62 1.75 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.506 1.129 . . . . 10.0 110.978 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.465 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 21.6 t -39.6 99.44 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.47 0.747 . . . . 10.0 109.296 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 93' ' ' GLY . . . -101.15 118.1 36.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 10.0 109.262 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.422 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 2.0 p-10 -109.62 150.25 28.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 10.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.621 ' CG1' HD12 ' A' ' 99' ' ' ILE . 24.7 t -123.24 163.93 21.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 10.0 109.261 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.439 ' N ' HG12 ' A' ' 97' ' ' VAL . 79.7 p -177.4 82.94 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 10.0 110.024 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.621 HD12 ' CG1' ' A' ' 97' ' ' VAL . 2.3 mp -134.98 168.06 24.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 10.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.535 ' N ' HG22 ' A' ' 99' ' ' ILE . 0.8 OUTLIER -129.76 95.89 4.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 10.0 110.279 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.458 ' O ' ' HA ' ' A' ' 28' ' ' PRO . 54.2 t0 -85.72 118.25 25.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 10.0 109.262 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.433 ' O ' HG23 ' A' ' 103' ' ' VAL . 21.6 t -102.05 61.91 0.88 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 10.0 110.033 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 102' ' ' SER . 50.4 t -153.41 -70.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 10.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.709 HD12 ' C ' ' A' ' 104' ' ' ILE . 1.9 pp -51.24 -179.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.158 . . . . 10.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . 0.412 ' CB ' ' HB2' ' A' ' 109' ' ' ASP . 0.1 OUTLIER -167.43 153.86 8.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 10.0 109.987 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.764 ' CD2' HD11 ' A' ' 112' ' ' ILE . 3.5 mm? -62.26 -47.07 85.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 10.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 39.0 m -155.92 151.69 27.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 10.0 109.993 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 72.48 57.32 5.58 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.469 1.105 . . . . 10.0 110.973 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.412 ' HB2' ' CB ' ' A' ' 105' ' ' SER . 4.6 m-20 173.86 -92.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 0.737 . . . . 10.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . 0.497 ' HE1' HG22 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -117.37 -17.78 10.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 10.0 109.596 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.411 ' O ' ' O ' ' A' ' 110' ' ' HIS . 36.3 t 57.49 111.96 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.514 1.134 . . . . 10.0 110.034 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.764 HD11 ' CD2' ' A' ' 106' ' ' LEU . 6.9 pt -96.97 -37.29 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 10.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.5 HD11 HG12 ' A' ' 151' ' ' ILE . 5.0 mt -40.29 118.11 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 10.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 114.73 -7.28 22.14 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.498 1.124 . . . . 10.0 111.035 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.29 87.42 6.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 0.748 . . . . 10.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.654 HG23 HG23 ' A' ' 118' ' ' VAL . 0.3 OUTLIER -70.86 144.56 50.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 10.0 110.374 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.499 HD13 ' HB3' ' A' ' 46' ' ' HIS . 0.2 OUTLIER -87.27 70.07 10.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 10.0 109.312 179.94 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.654 HG23 HG23 ' A' ' 116' ' ' THR . 14.2 t -82.23 172.63 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 10.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.798 HG21 HD11 ' A' ' 38' ' ' LEU . 2.7 m -148.51 139.31 17.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 10.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.572 ' CD2' ' HA3' ' A' ' 44' ' ' GLY . 8.3 m-70 -84.59 160.08 20.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 10.0 109.593 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -88.11 63.81 7.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 10.0 110.278 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.485 ' HB2' ' HB1' ' A' ' 140' ' ' ALA . 0.0 OUTLIER 171.5 169.89 0.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 10.0 109.31 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -70.02 -165.69 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 10.0 109.305 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.498 ' OD2' ' CD1' ' A' ' 45' ' ' PHE . 8.2 m-20 -142.02 97.0 3.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.103 . . . . 10.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . 0.433 ' O ' ' N ' ' A' ' 127' ' ' GLY . 6.5 m-20 -132.75 104.83 6.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 10.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 3.3 mt -69.58 54.25 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.142 . . . . 10.0 109.301 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 125' ' ' ASP . . . 171.96 77.72 0.05 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.471 1.107 . . . . 10.0 111.052 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 6.6 mttm -108.42 30.55 6.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 0.742 . . . . 10.0 109.308 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 84.25 -49.84 4.3 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.485 1.116 . . . . 10.0 110.982 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -65.36 -176.14 5.68 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.001 -0.84 . . . . 10.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -147.81 142.62 26.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 0.772 . . . . 10.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 73.65 27.67 1.74 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.098 . . . . 10.0 110.296 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.82 -60.99 0.5 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 10.0 110.32 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 49.5 p -90.4 -29.33 18.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 10.0 110.026 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 43.5 p -58.36 -16.43 14.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 10.0 110.387 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.5 -36.36 5.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 10.0 109.292 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . 0.427 ' OG1' ' N ' ' A' ' 138' ' ' GLY . 80.6 p -130.32 -101.86 0.3 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 10.0 110.399 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . 0.427 ' N ' ' OG1' ' A' ' 137' ' ' THR . . . -169.06 30.28 0.16 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.538 1.149 . . . . 10.0 111.019 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 48.06 59.92 3.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 0.757 . . . . 10.0 109.335 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.485 ' HB1' ' HB2' ' A' ' 122' ' ' LYS . . . -163.5 -62.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 10.0 109.352 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 140' ' ' ALA . . . 36.33 92.06 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.505 1.128 . . . . 10.0 110.96 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -149.81 70.93 1.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 0.745 . . . . 10.0 109.984 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 1.1 ptt-85 -47.13 157.12 0.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 10.0 110.311 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.521 HD13 HG21 ' A' ' 14' ' ' VAL . 62.6 mt -124.11 -86.56 0.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 10.0 109.313 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . 0.576 ' O ' HG13 ' A' ' 118' ' ' VAL . . . -95.84 174.47 6.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.42 1.075 . . . . 10.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 146' ' ' CYS . . . . . 0.443 ' HA ' ' OG1' ' A' ' 116' ' ' THR . 26.9 p -150.21 70.69 1.04 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 10.0 108.276 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . 0.44 ' N ' ' HA ' ' A' ' 8' ' ' LEU . . . -48.89 -48.85 29.99 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.499 1.125 . . . . 10.0 110.988 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.496 ' CG2' ' HB ' ' A' ' 116' ' ' THR . 53.1 t 66.09 125.56 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.486 0.756 . . . . 10.0 109.256 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 149' ' ' ILE . . . . . 1.037 HD13 ' HB2' ' A' ' 6' ' ' ALA . 24.0 mm -71.86 137.44 23.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 10.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -153.04 117.43 0.81 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.548 1.155 . . . . 10.0 110.996 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . 0.994 HD12 HG22 ' A' ' 2' ' ' THR . 19.1 mm -47.52 137.24 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 0.757 . . . . 10.0 109.312 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -127.7 175.02 8.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 10.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 10.0 110.314 179.978 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.818 HG21 HG23 ' A' ' 151' ' ' ILE . 28.4 m . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.381 -0.229 . . . . 10.0 110.381 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.605 ' O ' ' HB3' ' A' ' 152' ' ' ALA . 1.0 OUTLIER -106.84 109.15 20.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 10.0 109.309 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.952 ' HB3' ' HB2' ' A' ' 20' ' ' PHE . . . -84.3 167.27 16.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 10.0 109.29 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.46 HG22 ' HB2' ' A' ' 152' ' ' ALA . 0.0 OUTLIER -149.13 143.85 18.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 10.0 109.294 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.891 ' HB3' ' CG1' ' A' ' 18' ' ' ILE . . . -136.81 107.33 6.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 10.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.419 HG12 ' H ' ' A' ' 7' ' ' VAL . 3.4 p -82.04 88.55 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 10.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.464 HD13 ' HB1' ' A' ' 145' ' ' ALA . 0.4 OUTLIER -44.3 144.87 0.9 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 10.0 109.267 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 179.78 120.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 10.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -165.1 -98.64 0.13 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.455 1.097 . . . . 10.0 111.014 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -42.56 -62.11 1.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 0.743 . . . . 10.0 109.306 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.48 ' N ' ' CD ' ' A' ' 13' ' ' PRO . . . 162.26 -52.1 0.32 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.498 1.124 . . . . 10.0 111.03 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.48 ' CD ' ' N ' ' A' ' 12' ' ' GLY . 18.2 Cg_endo -75.02 -40.9 0.75 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.479 1.779 . . . . 10.0 110.998 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.928 HG22 ' CD1' ' A' ' 38' ' ' LEU . 36.8 t -61.21 82.44 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 10.0 109.266 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 13' ' ' PRO . 0.1 OUTLIER -121.84 60.87 0.96 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.164 . . . . 10.0 110.302 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.458 ' C ' HG13 ' A' ' 17' ' ' ILE . . . -94.01 -178.45 39.03 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.481 1.113 . . . . 10.0 110.981 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.458 HG13 ' C ' ' A' ' 16' ' ' GLY . 65.5 mt -143.48 117.29 3.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.533 0.784 . . . . 10.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.891 ' CG1' ' HB3' ' A' ' 6' ' ' ALA . 0.6 OUTLIER -96.96 160.93 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 10.0 109.324 179.934 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.683 ' N ' HD12 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -146.26 116.6 7.47 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.094 . . . . 10.0 109.305 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.952 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 4.4 m-30 -105.97 97.0 6.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.429 1.081 . . . . 10.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.408 ' C ' ' OE1' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -108.91 130.04 55.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 10.0 110.273 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -122.11 59.23 1.01 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 10.0 110.278 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.8 mttt -70.83 65.89 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.091 . . . . 10.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.409 ' O ' ' N ' ' A' ' 26' ' ' ASN . 0.6 OUTLIER -150.8 155.9 40.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 10.0 110.283 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.429 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 4.4 m -69.56 57.87 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 10.0 109.989 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.429 ' CB ' ' O ' ' A' ' 25' ' ' SER . 0.7 OUTLIER 77.61 29.5 0.52 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 10.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -86.9 -145.55 9.39 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.474 1.109 . . . . 10.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.451 ' HA ' ' O ' ' A' ' 101' ' ' ASP . 18.2 Cg_endo -74.99 164.44 33.37 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.466 1.771 . . . . 10.0 110.986 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.425 HG21 ' CD1' ' A' ' 104' ' ' ILE . 93.5 t -103.48 123.33 56.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 10.0 109.366 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.4 mttt -78.97 88.76 4.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 10.0 109.311 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.816 HG13 ' CE1' ' A' ' 20' ' ' PHE . 46.2 t -86.4 128.21 39.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 10.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.55 ' CD2' ' OD1' ' A' ' 19' ' ' ASN . 0.0 OUTLIER -158.51 165.28 34.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 10.0 107.967 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.53 ' N ' ' CD1' ' A' ' 32' ' ' TRP . . . 162.45 -161.22 33.44 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.51 1.131 . . . . 10.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.419 ' O ' ' HA3' ' A' ' 16' ' ' GLY . 79.8 p -155.54 125.35 6.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 0.763 . . . . 10.0 109.987 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 1.039 HG22 HD21 ' A' ' 38' ' ' LEU . 10.1 mt -111.41 109.85 30.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 10.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.454 ' CB ' HG22 ' A' ' 94' ' ' VAL . 15.1 ptpt -112.49 114.84 27.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 10.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.77 -27.86 0.2 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.507 1.13 . . . . 10.0 111.007 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 1.039 HD21 HG22 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -84.89 -161.64 0.6 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 0.761 . . . . 10.0 109.284 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 46.5 p -125.41 156.58 38.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 10.0 110.382 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.902 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 2.4 tm-20 -58.12 143.78 42.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 10.0 110.267 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.406 ' O ' ' HA ' ' A' ' 88' ' ' THR . . . 128.93 176.31 14.39 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.476 1.11 . . . . 10.0 110.991 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.5 mp -55.05 159.94 2.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 0.774 . . . . 10.0 109.33 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.59 ' CG ' ' ND1' ' A' ' 120' ' ' HIS . 2.6 m-70 -155.37 164.85 38.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 10.0 109.577 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -82.65 -133.16 1.86 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.471 1.107 . . . . 10.0 110.966 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.447 ' CE2' ' CG1' ' A' ' 87' ' ' VAL . 0.2 OUTLIER -166.26 154.11 10.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 0.772 . . . . 10.0 111.002 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.494 ' C ' HG23 ' A' ' 47' ' ' VAL . 0.4 OUTLIER -50.99 174.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 10.0 109.584 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.494 HG23 ' C ' ' A' ' 46' ' ' HIS . 1.3 t 61.0 88.83 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 10.0 109.276 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 53.9 p-80 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 10.0 109.541 179.959 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.0 -0.84 . . . . 10.0 111.0 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.459 ' O ' HD22 ' A' ' 84' ' ' LEU . 0.7 OUTLIER -82.73 156.14 23.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 0.797 . . . . 10.0 109.308 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.459 HD22 ' O ' ' A' ' 83' ' ' ASP . 0.3 OUTLIER -137.4 -73.58 0.42 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 10.0 109.294 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -163.49 -116.56 0.38 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.48 1.113 . . . . 10.0 110.999 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 43' ' ' HIS . 2.3 m120 -151.09 148.39 28.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 0.738 . . . . 10.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.447 ' CG1' ' CE2' ' A' ' 45' ' ' PHE . 7.5 m -111.17 -170.56 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.104 . . . . 10.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.422 ' HG1' ' C ' ' A' ' 87' ' ' VAL . 3.1 m -155.51 145.24 21.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 10.0 110.44 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.902 ' HB3' ' HA ' ' A' ' 40' ' ' GLU . . . -85.6 173.42 10.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 10.0 109.337 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.457 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 11.0 t0 -85.86 -96.13 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 10.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.457 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 0.1 OUTLIER -137.83 11.67 2.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 10.0 109.298 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -156.04 24.2 0.37 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 10.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.513 ' O ' ' CD2' ' A' ' 38' ' ' LEU . . . 88.28 -29.91 5.43 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.493 1.121 . . . . 10.0 111.019 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.454 HG22 ' CB ' ' A' ' 36' ' ' LYS . 16.9 t -44.3 94.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.562 0.801 . . . . 10.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.489 ' N ' ' O ' ' A' ' 93' ' ' GLY . . . -99.83 114.53 27.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 10.0 109.258 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.429 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 4.6 p-10 -91.16 148.36 22.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.138 . . . . 10.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 22.0 t -118.44 153.97 20.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 10.0 109.307 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 65.9 p -176.26 89.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 10.0 110.031 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.466 HG22 ' H ' ' A' ' 100' ' ' GLU . 1.1 mt -142.58 172.86 7.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 10.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.466 ' H ' HG22 ' A' ' 99' ' ' ILE . 4.1 mp0 -133.34 102.93 5.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 10.0 110.254 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.451 ' O ' ' HA ' ' A' ' 28' ' ' PRO . 25.7 m-20 -84.96 102.73 13.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 10.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.618 ' O ' HG23 ' A' ' 103' ' ' VAL . 53.5 p -88.9 63.02 6.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 10.0 109.989 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 102' ' ' SER . 47.7 t -158.92 -65.05 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 10.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.92 HD13 HG21 ' A' ' 112' ' ' ILE . 1.5 pp -78.1 168.17 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 10.0 109.328 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 48.5 m -161.52 161.68 30.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 10.0 109.964 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.637 HD23 HD11 ' A' ' 113' ' ' ILE . 1.1 mt -61.46 -39.21 90.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 10.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 79.9 p -129.75 -171.37 2.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 10.0 110.042 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 93.41 -140.56 15.12 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.482 1.114 . . . . 10.0 111.01 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -98.69 28.03 4.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 0.749 . . . . 10.0 109.32 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . 0.43 ' CE1' ' O ' ' A' ' 103' ' ' VAL . 72.7 m80 -125.07 -70.13 0.76 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 10.0 109.598 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 10.6 p 60.8 94.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 10.0 110.022 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.92 HG21 HD13 ' A' ' 104' ' ' ILE . 10.4 pt -90.48 -14.22 8.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 10.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.637 HD11 HD23 ' A' ' 106' ' ' LEU . 34.4 mm -50.78 109.12 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 10.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 112.34 34.4 1.95 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.534 1.146 . . . . 10.0 111.048 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.426 ' CG ' ' O ' ' A' ' 112' ' ' ILE . 4.8 mmm180 -111.74 82.16 1.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 0.772 . . . . 10.0 110.3 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.615 HG23 ' HA ' ' A' ' 146' ' ' CYS . 3.0 m -41.46 111.83 0.26 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 10.0 110.388 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.616 HD21 ' CZ ' ' A' ' 20' ' ' PHE . 0.8 OUTLIER -76.97 85.89 3.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 10.0 109.318 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.599 HG11 ' CG ' ' A' ' 143' ' ' ARG . 17.2 t -79.64 156.76 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 10.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.53 HG12 ' N ' ' A' ' 120' ' ' HIS . 21.9 t -97.74 -121.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 10.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.59 ' ND1' ' CG ' ' A' ' 43' ' ' HIS . 0.0 OUTLIER -155.96 124.65 5.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 10.0 109.635 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.56 ' HA ' HD11 ' A' ' 144' ' ' LEU . 0.8 OUTLIER -66.1 -18.88 65.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 10.0 110.26 -179.935 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -179.1 -171.87 0.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 10.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -91.19 122.05 33.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 10.0 109.286 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -67.58 -10.77 54.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 10.0 109.311 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 53.15 32.39 13.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 10.0 109.287 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 15.8 mt 55.36 19.19 2.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 10.0 109.333 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 97.32 127.35 5.62 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.524 1.14 . . . . 10.0 110.994 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 5.2 mttp -72.01 -71.96 0.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 0.773 . . . . 10.0 109.31 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -144.92 29.84 1.82 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.47 1.107 . . . . 10.0 110.979 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 64.21 107.14 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 N-CA-C 111.021 -0.832 . . . . 10.0 111.021 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . 0.565 ' O ' ' N ' ' A' ' 135' ' ' THR . 0.3 OUTLIER -144.49 153.39 41.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 0.755 . . . . 10.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 131' ' ' ASN . 4.0 mt-10 -38.1 -28.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 10.0 110.324 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . 0.48 ' N ' ' O ' ' A' ' 131' ' ' ASN . 0.0 OUTLIER -89.94 -46.76 8.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 10.0 110.312 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . 0.461 ' O ' ' N ' ' A' ' 136' ' ' LYS . 0.1 OUTLIER -70.31 -49.43 49.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 10.0 109.999 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . 0.565 ' N ' ' O ' ' A' ' 131' ' ' ASN . 23.1 p -37.04 -31.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 10.0 110.399 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 134' ' ' SER . 0.0 OUTLIER -106.77 -39.17 5.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 10.0 109.281 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . 0.475 ' OG1' ' N ' ' A' ' 138' ' ' GLY . 33.7 p -129.46 -116.5 0.24 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 10.0 110.389 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . 0.475 ' N ' ' OG1' ' A' ' 137' ' ' THR . . . -165.35 46.04 0.28 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.537 1.148 . . . . 10.0 111.021 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 50.4 33.14 7.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 0.798 . . . . 10.0 109.282 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -151.78 26.22 0.65 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 10.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -80.37 94.48 1.5 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.516 1.135 . . . . 10.0 110.945 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . 0.473 ' CB ' ' HB2' ' A' ' 121' ' ' GLU . 0.3 OUTLIER -150.16 146.07 26.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 0.762 . . . . 10.0 109.997 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . 0.925 ' O ' HD23 ' A' ' 144' ' ' LEU . 3.7 mtp85 -94.24 135.57 35.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 10.0 110.295 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.925 HD23 ' O ' ' A' ' 143' ' ' ARG . 12.6 mt -129.03 12.37 6.14 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.459 1.099 . . . . 10.0 109.306 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . 0.464 ' HB1' HD13 ' A' ' 8' ' ' LEU . . . -166.38 161.38 16.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 10.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 146' ' ' CYS . . . . . 0.615 ' HA ' HG23 ' A' ' 116' ' ' THR . 21.5 p -153.89 65.48 0.72 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 10.0 108.313 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -59.99 -41.59 97.98 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.53 1.144 . . . . 10.0 110.985 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 3.1 t 63.56 145.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.523 0.778 . . . . 10.0 109.254 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 149' ' ' ILE . . . . . 0.909 HG23 ' HB1' ' A' ' 4' ' ' ALA . 47.3 mm -84.54 127.41 39.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.11 . . . . 10.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -135.39 111.17 0.88 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.461 1.101 . . . . 10.0 111.054 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . 0.818 HG23 HG21 ' A' ' 2' ' ' THR . 11.5 mm -41.22 132.75 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.522 0.778 . . . . 10.0 109.359 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . 0.605 ' HB3' ' O ' ' A' ' 3' ' ' LYS . . . -90.94 170.41 10.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 10.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 10.0 110.313 179.998 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.81 HG22 HG23 ' A' ' 151' ' ' ILE . 1.3 m . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.376 -0.231 . . . . 10.0 110.376 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -97.51 110.13 22.75 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.131 . . . . 10.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.841 ' HB3' ' HB2' ' A' ' 20' ' ' PHE . . . -88.95 157.69 18.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 10.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.8 t -130.95 153.42 39.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 10.0 109.262 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.909 ' HB2' ' HA ' ' A' ' 149' ' ' ILE . . . -155.66 89.71 1.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 10.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.564 HG12 HG12 ' A' ' 17' ' ' ILE . 10.6 m -83.82 109.21 17.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.42 1.075 . . . . 10.0 109.31 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.486 ' HB2' ' N ' ' A' ' 16' ' ' GLY . 0.7 OUTLIER -55.17 144.0 25.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 10.0 109.272 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.608 ' H ' ' HB1' ' A' ' 145' ' ' ALA . 1.4 tttt -171.95 142.47 1.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 10.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 11' ' ' ASP . . . 168.79 -95.77 0.11 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.527 1.142 . . . . 10.0 111.002 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 10' ' ' GLY . 39.9 t0 -40.28 -49.96 2.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 0.767 . . . . 10.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.442 ' N ' ' CD ' ' A' ' 13' ' ' PRO . . . 142.64 -53.7 0.61 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.478 1.111 . . . . 10.0 111.061 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.442 ' CD ' ' N ' ' A' ' 12' ' ' GLY . 18.5 Cg_endo -75.01 -21.86 15.4 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.525 1.802 . . . . 10.0 111.061 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.2 t -83.2 99.3 5.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 10.0 109.271 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.76 31.32 5.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 10.0 110.29 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.486 ' N ' ' HB2' ' A' ' 8' ' ' LEU . . . -42.85 162.8 0.03 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.455 1.097 . . . . 10.0 110.971 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.564 HG12 HG12 ' A' ' 7' ' ' VAL . 65.6 mt -142.34 101.62 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.558 0.799 . . . . 10.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.507 HG23 ' HB3' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -117.29 149.58 19.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 10.0 109.28 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.417 ' N ' HG12 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -132.96 162.45 31.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.11 . . . . 10.0 109.278 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.841 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 1.8 m-85 -129.92 106.59 8.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 10.0 111.009 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -103.72 145.19 30.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 10.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 -147.26 84.63 1.58 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 10.0 110.32 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.0 mtmt -74.73 57.45 0.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 10.0 109.313 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.492 ' O ' ' CB ' ' A' ' 25' ' ' SER . 0.0 OUTLIER -155.96 -45.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 10.0 110.282 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 0.4 OUTLIER 84.49 -11.5 0.81 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.569 1.168 . . . . 10.0 110.04 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 33.0 p-10 -158.92 27.39 0.22 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 10.0 109.285 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -127.59 -147.47 6.63 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.507 1.13 . . . . 10.0 110.995 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.447 ' HA ' ' O ' ' A' ' 101' ' ' ASP . 18.3 Cg_endo -75.01 150.93 38.84 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.525 1.803 . . . . 10.0 111.041 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.8 t -111.68 110.32 31.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 10.0 109.332 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.2 mttm -69.53 95.55 0.84 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 10.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.795 HG13 ' CE1' ' A' ' 20' ' ' PHE . 70.4 t -87.37 134.21 28.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 10.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -164.32 155.96 16.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 10.0 107.973 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.443 ' O ' ' HA ' ' A' ' 96' ' ' ASP . . . 178.79 -169.84 41.47 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.529 1.143 . . . . 10.0 111.011 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 26.5 p -157.27 122.29 4.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 0.756 . . . . 10.0 109.977 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.788 HD13 ' CZ ' ' A' ' 45' ' ' PHE . 0.1 OUTLIER -83.34 166.34 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 10.0 109.227 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.51 ' N ' HG23 ' A' ' 35' ' ' ILE . 32.7 mttt -156.28 115.14 3.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 10.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 138.79 -47.86 0.9 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.513 1.133 . . . . 10.0 110.969 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.908 HD22 ' ND1' ' A' ' 43' ' ' HIS . 0.4 OUTLIER -54.1 -170.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 0.791 . . . . 10.0 109.301 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 40' ' ' GLU . 36.0 p -135.89 143.77 45.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 10.0 110.416 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.754 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -38.06 124.39 1.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 10.0 110.267 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.532 ' O ' ' CD2' ' A' ' 43' ' ' HIS . . . 147.4 169.3 14.66 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.493 1.121 . . . . 10.0 110.972 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.759 ' O ' ' HB2' ' A' ' 123' ' ' ALA . 0.3 OUTLIER -70.19 127.55 33.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 0.747 . . . . 10.0 109.307 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.908 ' ND1' HD22 ' A' ' 38' ' ' LEU . 21.1 m170 -112.08 175.28 5.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 10.0 109.594 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -120.03 81.39 0.33 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.482 1.114 . . . . 10.0 111.012 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.819 ' HB3' HD12 ' A' ' 117' ' ' LEU . 9.1 m-30 -89.78 136.3 33.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 0.755 . . . . 10.0 110.969 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.541 ' CE1' ' NE2' ' A' ' 120' ' ' HIS . 15.9 p80 172.79 175.45 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 10.0 109.625 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.485 HG12 ' N ' ' A' ' 48' ' ' HIS . 58.0 t -71.41 165.31 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 10.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.679 ' HB3' HG21 ' A' ' 118' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 10.0 109.605 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 83' ' ' ASP . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.031 -0.828 . . . . 10.0 111.031 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.424 ' C ' ' O ' ' A' ' 82' ' ' GLY . 3.4 t0 38.63 -154.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 0.775 . . . . 10.0 109.321 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.445 ' HG ' HD11 ' A' ' 117' ' ' LEU . 0.2 OUTLIER 75.72 -79.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 10.0 109.294 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 105.23 -113.89 4.44 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.519 1.137 . . . . 10.0 110.998 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.452 ' N ' ' OD1' ' A' ' 86' ' ' ASN . 0.2 OUTLIER -125.55 144.18 50.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 0.763 . . . . 10.0 109.304 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.452 HG12 ' N ' ' A' ' 88' ' ' THR . 39.0 t -115.17 164.67 11.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 10.0 109.312 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.452 ' N ' HG12 ' A' ' 87' ' ' VAL . 3.2 m -123.34 139.36 54.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 10.0 110.407 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.754 ' HB3' ' HA ' ' A' ' 40' ' ' GLU . . . -84.96 174.88 9.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 10.0 109.345 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.451 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 13.2 t0 -85.27 -97.08 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 10.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.451 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 8.7 pttt -137.7 11.84 2.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 10.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -155.2 24.88 0.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 10.0 109.292 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.485 ' CA ' ' HB1' ' A' ' 89' ' ' ALA . . . 89.76 -33.06 4.54 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.474 1.109 . . . . 10.0 111.046 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.516 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 23.4 t -40.16 101.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.459 0.74 . . . . 10.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -106.86 118.18 36.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 10.0 109.266 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.443 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 0.9 OUTLIER -110.3 147.32 34.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 10.0 109.287 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.477 HG12 ' N ' ' A' ' 98' ' ' SER . 61.7 t -125.27 164.29 24.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 10.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.477 ' N ' HG12 ' A' ' 97' ' ' VAL . 24.5 p -172.31 92.54 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 10.0 110.007 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 7.5 mt -132.07 150.67 33.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 10.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -132.29 89.89 2.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 10.0 110.303 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.447 ' O ' ' HA ' ' A' ' 28' ' ' PRO . 0.3 OUTLIER -100.68 143.29 31.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 10.0 109.29 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.426 ' CA ' ' HB3' ' A' ' 28' ' ' PRO . 6.4 p -114.25 62.97 0.66 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 10.0 110.027 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 70.7 t -145.24 -51.58 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 10.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.494 ' CG1' HG21 ' A' ' 112' ' ' ILE . 0.1 OUTLIER -61.53 177.98 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 10.0 109.29 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 47.3 t -158.64 151.53 22.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 10.0 109.983 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.632 HD23 HD11 ' A' ' 151' ' ' ILE . 1.6 mp -66.56 -42.51 86.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 10.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 52.1 m -146.59 102.75 3.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.142 . . . . 10.0 109.984 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -176.05 -140.86 3.62 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.554 1.158 . . . . 10.0 111.001 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.91 -45.75 56.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 0.751 . . . . 10.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 8.4 m80 -101.51 50.93 0.85 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 10.0 109.553 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 5.0 t -51.96 123.01 9.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 10.0 110.005 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.565 HD13 ' CE2' ' A' ' 20' ' ' PHE . 2.2 pp -87.21 -25.55 6.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 10.0 109.341 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.586 HD11 HG12 ' A' ' 151' ' ' ILE . 12.1 mm -51.16 146.26 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 10.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 85.25 -12.77 57.57 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.511 1.132 . . . . 10.0 111.018 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.747 ' O ' HD12 ' A' ' 149' ' ' ILE . 8.4 ptm180 -83.93 131.7 34.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 0.759 . . . . 10.0 110.284 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.456 HG23 HG23 ' A' ' 118' ' ' VAL . 0.0 OUTLIER -128.05 153.63 46.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 10.0 110.425 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.819 HD12 ' HB3' ' A' ' 45' ' ' PHE . 4.5 mm? -94.45 58.89 2.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 10.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.703 HG13 ' O ' ' A' ' 145' ' ' ALA . 16.1 t -53.21 124.07 5.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 10.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 1.034 HG23 HD12 ' A' ' 144' ' ' LEU . 12.4 m -75.16 -178.3 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 10.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.541 ' NE2' ' CE1' ' A' ' 46' ' ' HIS . 1.9 m-70 -141.23 157.0 45.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 10.0 109.602 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.54 -11.76 26.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 10.0 110.349 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -170.99 -168.29 0.64 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 10.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.759 ' HB2' ' O ' ' A' ' 42' ' ' LEU . . . -113.03 -176.82 2.99 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.553 1.158 . . . . 10.0 109.316 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 32.9 t0 -106.24 7.39 31.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 10.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 51.13 38.14 20.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 10.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 12.4 mt 58.34 20.45 7.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 10.0 109.328 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 113.71 120.64 3.61 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.495 1.122 . . . . 10.0 111.016 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 12.4 mttm -95.79 34.47 1.51 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 0.779 . . . . 10.0 109.346 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 90.39 -11.77 70.25 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.486 1.116 . . . . 10.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 97.76 115.44 3.4 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.96 -0.856 . . . . 10.0 110.96 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . 0.696 ' N ' HG23 ' A' ' 135' ' ' THR . 28.7 m-20 -145.82 152.81 40.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 0.753 . . . . 10.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -49.99 -19.56 0.74 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 10.0 110.284 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . 0.41 ' N ' ' C ' ' A' ' 131' ' ' ASN . 1.2 tt0 -101.32 -29.59 11.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 10.0 110.278 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 137' ' ' THR . 3.7 m -85.88 -53.08 5.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 10.0 110.038 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . 0.696 HG23 ' N ' ' A' ' 131' ' ' ASN . 74.5 p -44.6 -24.69 0.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.572 1.17 . . . . 10.0 110.404 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.447 ' HG3' ' N ' ' A' ' 137' ' ' THR . 0.1 OUTLIER -99.02 -33.16 10.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 10.0 109.278 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . 0.459 ' OG1' ' N ' ' A' ' 138' ' ' GLY . 69.8 p -146.21 -102.4 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 10.0 110.415 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . 0.459 ' N ' ' OG1' ' A' ' 137' ' ' THR . . . -169.84 39.16 0.2 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.545 1.153 . . . . 10.0 110.974 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 55.86 19.17 3.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 0.763 . . . . 10.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -144.77 26.7 1.38 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.128 . . . . 10.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . 0.51 ' HA2' ' CE1' ' A' ' 120' ' ' HIS . . . -71.12 75.64 0.62 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.528 1.143 . . . . 10.0 111.001 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.44 79.46 1.89 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 0.775 . . . . 10.0 109.995 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . 0.512 ' HB3' HG11 ' A' ' 118' ' ' VAL . 0.0 OUTLIER -43.01 165.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 10.0 110.295 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 1.034 HD12 HG23 ' A' ' 119' ' ' VAL . 21.3 mt -146.98 -76.34 0.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 10.0 109.352 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . 0.703 ' O ' HG13 ' A' ' 118' ' ' VAL . . . -98.01 168.12 10.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 10.0 109.282 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 146' ' ' CYS . . . . . 0.85 ' O ' HG23 ' A' ' 148' ' ' VAL . 2.6 p -155.68 67.1 0.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 10.0 108.322 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . 0.542 ' O ' ' HB ' ' A' ' 148' ' ' VAL . . . -45.57 -68.41 1.01 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.523 1.139 . . . . 10.0 111.013 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.85 HG23 ' O ' ' A' ' 146' ' ' CYS . 15.2 t 85.27 100.01 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 0.772 . . . . 10.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 149' ' ' ILE . . . . . 0.909 ' HA ' ' HB2' ' A' ' 6' ' ' ALA . 2.7 mp -58.53 121.63 6.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 10.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -130.43 138.05 9.93 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.49 1.119 . . . . 10.0 111.037 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . 0.81 HG23 HG22 ' A' ' 2' ' ' THR . 29.6 mm -54.11 149.99 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.53 0.782 . . . . 10.0 109.351 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -149.57 175.05 11.87 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.526 1.141 . . . . 10.0 109.326 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 10.0 110.309 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.692 HG23 ' CD1' ' A' ' 151' ' ' ILE . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.374 -0.232 . . . . 10.0 110.374 . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -125.03 104.26 8.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 10.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 1.014 ' HB1' HG23 ' A' ' 149' ' ' ILE . . . -85.67 152.7 22.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 10.0 109.337 179.956 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.421 ' O ' ' HA ' ' A' ' 149' ' ' ILE . 7.0 t -128.71 160.4 39.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 10.0 109.335 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.814 ' HB3' HG23 ' A' ' 18' ' ' ILE . . . -154.18 87.76 1.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 10.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' ' 7' ' ' VAL . 19.1 m -83.7 79.17 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 10.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 1.023 HD12 ' HA3' ' A' ' 147' ' ' GLY . 3.4 mp -42.46 126.76 3.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 10.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.35 -82.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 10.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.66 ' HA2' ' HB2' ' A' ' 145' ' ' ALA . . . 113.13 121.9 3.85 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.498 1.124 . . . . 10.0 110.966 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.43 ' HB2' HD23 ' A' ' 144' ' ' LEU . 9.7 t0 -53.85 -25.93 22.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 0.771 . . . . 10.0 109.259 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -150.1 -98.77 0.19 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.554 1.159 . . . . 10.0 111.016 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 14' ' ' VAL . 18.5 Cg_endo -74.95 -33.39 4.69 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.479 1.779 . . . . 10.0 110.993 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.435 ' HB ' ' CA ' ' A' ' 10' ' ' GLY . 52.8 t -39.81 144.79 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 10.0 109.29 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 174.26 76.85 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 10.0 110.262 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.48 ' CA ' ' HA ' ' A' ' 35' ' ' ILE . . . -92.26 159.95 25.56 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.506 1.129 . . . . 10.0 110.961 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 35.9 mt -129.82 97.57 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.505 0.768 . . . . 10.0 109.274 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.814 HG23 ' HB3' ' A' ' 6' ' ' ALA . 0.1 OUTLIER -108.97 132.03 58.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 10.0 109.278 179.992 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.742 ' N ' HD12 ' A' ' 18' ' ' ILE . 0.2 OUTLIER -124.58 143.29 50.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.158 . . . . 10.0 109.254 -179.989 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.972 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 5.5 m-85 -111.09 118.96 37.44 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.528 1.143 . . . . 10.0 111.014 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -109.48 133.22 53.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 10.0 110.277 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.513 ' HB2' HG13 ' A' ' 29' ' ' VAL . 51.8 tt0 -143.57 102.22 3.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.576 1.173 . . . . 10.0 110.242 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.36 35.12 0.93 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 10.0 109.269 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -156.69 150.86 25.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 10.0 110.312 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 21.7 m -89.26 -3.82 58.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 10.0 109.956 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 14.3 p30 -165.87 32.68 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 10.0 109.331 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -113.24 -155.75 11.95 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.498 1.124 . . . . 10.0 111.032 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.438 ' HA ' ' O ' ' A' ' 101' ' ' ASP . 18.4 Cg_endo -74.99 165.97 30.21 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.489 1.784 . . . . 10.0 111.001 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.615 HG11 HD11 ' A' ' 106' ' ' LEU . 14.0 t -131.24 102.36 6.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 10.0 109.281 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.2 mttt -64.35 95.3 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 10.0 109.318 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.474 HG22 ' CD2' ' A' ' 20' ' ' PHE . 72.8 t -96.74 125.17 49.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 10.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.42 ' HA ' ' O ' ' A' ' 97' ' ' VAL . 7.7 p90 -153.21 149.46 28.0 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.013 -1.106 . . . . 10.0 108.013 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.45 ' O ' ' HA ' ' A' ' 96' ' ' ASP . . . -166.99 -173.35 35.2 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.504 1.127 . . . . 10.0 110.995 179.924 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 58.3 p -157.77 118.37 3.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.44 0.729 . . . . 10.0 109.985 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.655 ' HB ' ' HB3' ' A' ' 95' ' ' ALA . 0.2 OUTLIER -84.6 163.51 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 10.0 109.297 -179.995 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.454 ' N ' HG23 ' A' ' 35' ' ' ILE . 34.1 mttt -149.02 105.43 3.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 10.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.451 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 138.22 -38.33 1.71 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.494 1.121 . . . . 10.0 111.01 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.765 HD12 ' CG ' ' A' ' 43' ' ' HIS . 0.3 OUTLIER -53.91 -168.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 0.763 . . . . 10.0 109.294 179.969 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.423 ' O ' ' C ' ' A' ' 40' ' ' GLU . 11.3 p -151.85 145.34 24.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 10.0 110.406 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.664 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 2.4 tt0 -36.88 115.1 0.35 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 10.0 110.32 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.44 ' O ' ' NE2' ' A' ' 43' ' ' HIS . . . 143.16 168.55 12.04 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.522 1.139 . . . . 10.0 111.0 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 1.019 HD23 ' CG ' ' A' ' 86' ' ' ASN . 4.2 mp -66.52 156.79 33.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 0.741 . . . . 10.0 109.244 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.765 ' CG ' HD12 ' A' ' 38' ' ' LEU . 9.6 m80 -140.14 77.69 1.62 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 10.0 109.614 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 43' ' ' HIS . . . 34.64 -143.14 0.07 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.432 1.082 . . . . 10.0 110.997 -179.952 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.421 ' O ' ' O ' ' A' ' 46' ' ' HIS . 18.0 m-85 -141.44 112.46 7.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 0.758 . . . . 10.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.587 ' HD1' HG23 ' A' ' 47' ' ' VAL . 10.3 p80 -46.19 172.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 10.0 109.574 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.587 HG23 ' HD1' ' A' ' 46' ' ' HIS . 75.3 t 66.2 135.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 10.0 109.291 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.469 ' NE2' HG21 ' A' ' 116' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.142 . . . . 10.0 109.636 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 83' ' ' ASP . . . . . . . . 0 CA--C 1.531 1.056 0 N-CA-C 110.984 -0.847 . . . . 10.0 110.984 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 82' ' ' GLY . 11.2 t70 39.11 87.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 0.789 . . . . 10.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.44 HD22 ' HA ' ' A' ' 84' ' ' LEU . 0.2 OUTLIER -167.17 -55.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 10.0 109.309 179.981 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 120.76 -174.51 15.78 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.47 1.106 . . . . 10.0 110.991 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 1.019 ' CG ' HD23 ' A' ' 42' ' ' LEU . 2.8 p-10 -84.38 130.29 34.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 0.783 . . . . 10.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.521 HG23 ' HB2' ' A' ' 43' ' ' HIS . 24.9 m -84.32 128.33 38.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.154 . . . . 10.0 109.285 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.4 ' HA ' ' O ' ' A' ' 41' ' ' GLY . 15.6 m -110.37 153.54 24.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 10.0 110.421 179.928 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.664 ' HB3' ' HA ' ' A' ' 40' ' ' GLU . . . -84.56 175.26 9.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 10.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.429 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 11.1 t0 -84.83 -97.09 0.06 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 10.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.429 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 37.2 pttt -134.21 7.09 3.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 10.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -156.55 24.71 0.34 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 10.0 109.298 -179.939 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.624 ' CA ' ' HB1' ' A' ' 89' ' ' ALA . . . 96.8 -42.29 2.22 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.516 1.135 . . . . 10.0 110.962 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.474 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 20.7 t -40.64 98.61 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.489 0.758 . . . . 10.0 109.307 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.655 ' HB3' ' HB ' ' A' ' 35' ' ' ILE . . . -95.89 111.35 23.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 10.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.45 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 2.0 t70 -99.64 155.26 17.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 10.0 109.254 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.461 HG13 HD12 ' A' ' 99' ' ' ILE . 72.5 t -131.23 153.58 39.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 10.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 80.0 p -174.45 88.06 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 10.0 110.01 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.504 HG22 ' N ' ' A' ' 100' ' ' GLU . 2.7 mp -135.72 165.45 29.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 10.0 109.256 -179.953 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.504 ' N ' HG22 ' A' ' 99' ' ' ILE . 0.0 OUTLIER -125.49 94.58 4.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 10.0 110.352 179.975 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.438 ' O ' ' HA ' ' A' ' 28' ' ' PRO . 3.1 m-20 -94.5 132.99 38.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 10.0 109.299 -179.964 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 21.9 p -123.26 -45.89 2.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 10.0 109.984 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 89.6 t -45.43 -43.67 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 10.0 109.342 179.951 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.747 HD12 ' C ' ' A' ' 104' ' ' ILE . 1.8 pp -71.32 178.1 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.102 . . . . 10.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . 0.612 ' O ' HG23 ' A' ' 112' ' ' ILE . 0.4 OUTLIER -154.82 146.96 23.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 10.0 110.016 179.99 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.988 HD23 HD11 ' A' ' 113' ' ' ILE . 4.0 mp -77.32 -36.95 53.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.09 . . . . 10.0 109.261 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -151.94 68.84 0.89 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 10.0 109.978 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -139.37 -115.92 1.32 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.552 1.157 . . . . 10.0 111.002 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.87 -8.48 21.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 0.766 . . . . 10.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 68.4 m80 -105.45 -50.73 3.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 10.0 109.63 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.2 t 54.03 92.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 10.0 109.985 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.612 HG23 ' O ' ' A' ' 105' ' ' SER . 0.7 OUTLIER -103.01 -8.03 9.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 10.0 109.245 -179.962 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.988 HD11 HD23 ' A' ' 106' ' ' LEU . 11.2 mm -49.21 116.41 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 10.0 109.307 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 100.48 42.09 2.61 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.475 1.11 . . . . 10.0 110.981 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.671 HH22 HG21 ' A' ' 104' ' ' ILE . 2.6 mtt180 -84.25 83.43 7.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 0.773 . . . . 10.0 110.298 -179.973 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.876 HG23 HG22 ' A' ' 148' ' ' VAL . 0.4 OUTLIER -42.34 94.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 10.0 110.374 -179.988 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.541 ' O ' HD21 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -81.79 69.49 8.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 10.0 109.299 179.993 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.881 HG12 ' HA ' ' A' ' 146' ' ' CYS . 2.7 m -101.25 175.99 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 10.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.705 HG21 HD21 ' A' ' 38' ' ' LEU . 10.5 m -142.76 149.45 18.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 10.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.494 ' CE1' ' CA ' ' A' ' 141' ' ' GLY . 3.9 m-70 -86.11 168.63 13.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 10.0 109.626 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -90.66 20.56 4.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.169 . . . . 10.0 110.316 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.595 ' HB3' ' HB1' ' A' ' 140' ' ' ALA . 0.0 OUTLIER -177.75 155.56 1.03 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 10.0 109.264 179.989 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.683 ' HB1' ' HB2' ' A' ' 42' ' ' LEU . . . -69.32 155.23 40.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 10.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.522 ' O ' ' CB ' ' A' ' 125' ' ' ASP . 0.2 OUTLIER -45.91 -91.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 10.0 109.284 -179.994 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . 0.522 ' CB ' ' O ' ' A' ' 124' ' ' ASP . 3.9 m-20 154.49 -24.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 10.0 109.336 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.1 mt 52.34 21.86 1.84 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 10.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -99.45 75.86 0.49 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.493 1.12 . . . . 10.0 110.996 -180.0 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.7 -24.72 9.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 0.756 . . . . 10.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -41.22 -48.45 4.5 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.469 1.106 . . . . 10.0 111.031 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -55.85 -172.46 0.13 Allowed Glycine 0 CA--C 1.531 1.033 0 N-CA-C 110.967 -0.853 . . . . 10.0 110.967 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . 0.447 ' O ' ' N ' ' A' ' 133' ' ' GLN . 68.8 m-80 -153.77 139.7 18.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 0.779 . . . . 10.0 109.245 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 131' ' ' ASN . 2.0 mp0 38.17 30.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 10.0 110.292 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 131' ' ' ASN . 0.0 OUTLIER -140.98 -72.97 0.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 10.0 110.323 179.959 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . 0.485 ' HA ' ' CA ' ' A' ' 138' ' ' GLY . 23.6 p -95.47 -12.58 25.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 10.0 109.996 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 19.0 p -79.99 -9.59 59.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 10.0 110.384 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.38 -37.66 3.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 10.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 45.8 p -126.81 -77.84 0.58 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.122 . . . . 10.0 110.434 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . 0.485 ' CA ' ' HA ' ' A' ' 134' ' ' SER . . . 156.73 43.94 0.02 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.472 1.108 . . . . 10.0 110.987 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 53.1 t-20 40.25 31.07 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 0.767 . . . . 10.0 109.306 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.595 ' HB1' ' HB3' ' A' ' 122' ' ' LYS . . . -162.96 52.45 0.18 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 10.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . 0.494 ' CA ' ' CE1' ' A' ' 120' ' ' HIS . . . -102.23 88.66 0.69 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.468 1.105 . . . . 10.0 110.987 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 143' ' ' ARG . 0.2 OUTLIER -125.76 76.91 1.62 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 0.758 . . . . 10.0 110.042 179.974 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . 0.431 ' NH1' ' HB2' ' A' ' 143' ' ' ARG . 0.0 OUTLIER -37.88 155.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 10.0 110.319 -179.971 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.43 HD23 ' HB2' ' A' ' 11' ' ' ASP . 2.2 mt -132.66 -86.33 0.46 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 10.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . 0.66 ' HB2' ' HA2' ' A' ' 10' ' ' GLY . . . -77.88 169.77 17.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 10.0 109.272 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 146' ' ' CYS . . . . . 0.881 ' HA ' HG12 ' A' ' 118' ' ' VAL . 0.8 OUTLIER -156.91 70.35 0.63 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 10.0 108.273 -179.975 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . 1.023 ' HA3' HD12 ' A' ' 8' ' ' LEU . . . -68.95 -58.42 6.81 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.517 1.136 . . . . 10.0 110.967 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.876 HG22 HG23 ' A' ' 116' ' ' THR . 58.1 t 68.46 151.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 0.749 . . . . 10.0 109.314 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 149' ' ' ILE . . . . . 1.014 HG23 ' HB1' ' A' ' 4' ' ' ALA . 0.8 OUTLIER -87.84 137.47 20.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 10.0 109.281 -179.992 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 151' ' ' ILE . . . -147.5 111.31 0.55 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.478 1.111 . . . . 10.0 110.998 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . 0.692 ' CD1' HG23 ' A' ' 2' ' ' THR . 16.4 mm -38.48 141.39 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.535 0.785 . . . . 10.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -144.13 162.1 37.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 10.0 109.29 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 10.0 110.296 -179.975 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.811 HG22 HD12 ' A' ' 151' ' ' ILE . 1.7 m . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.359 -0.237 . . . . 10.0 110.359 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.4 ttmt -121.21 142.09 50.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 10.0 109.281 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.993 ' HB3' ' HB2' ' A' ' 20' ' ' PHE . . . -118.6 159.59 23.31 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.457 1.098 . . . . 10.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.639 HG23 ' HB3' ' A' ' 152' ' ' ALA . 2.7 t -134.88 158.27 41.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 10.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.803 ' HB1' ' O ' ' A' ' 147' ' ' GLY . . . -155.66 93.01 1.43 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 10.0 109.291 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.416 ' O ' ' C ' ' A' ' 8' ' ' LEU . 53.8 t -81.38 98.69 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 10.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.666 HD22 ' HA3' ' A' ' 147' ' ' GLY . 1.1 mm? -39.2 152.46 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 10.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.7 tttt -175.91 107.93 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 10.0 109.277 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 11' ' ' ASP . . . -153.62 -108.31 0.33 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.531 1.144 . . . . 10.0 111.031 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 10' ' ' GLY . 13.2 t0 -39.55 -60.94 0.88 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 0.745 . . . . 10.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.511 ' N ' ' CD ' ' A' ' 13' ' ' PRO . . . 160.53 -50.32 0.37 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.491 1.12 . . . . 10.0 110.986 -180.0 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.511 ' CD ' ' N ' ' A' ' 12' ' ' GLY . 18.4 Cg_endo -75.04 -42.27 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.49 1.784 . . . . 10.0 110.99 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.672 HG22 HD13 ' A' ' 38' ' ' LEU . 43.3 t -59.76 89.56 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 10.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -115.74 42.07 2.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 10.0 110.271 -179.972 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.507 ' N ' ' HB2' ' A' ' 8' ' ' LEU . . . -52.56 166.29 1.22 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.461 1.101 . . . . 10.0 111.021 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 31.1 mt -141.87 97.03 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.47 0.747 . . . . 10.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.79 ' C ' HD13 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -114.58 139.43 40.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 10.0 109.302 179.98 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.56 HD22 HG13 ' A' ' 5' ' ' VAL . 0.0 OUTLIER -134.07 163.59 29.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 10.0 109.266 -179.997 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.993 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 3.5 m-30 -114.8 130.16 56.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 10.0 110.999 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.403 ' HB2' ' CH2' ' A' ' 32' ' ' TRP . 1.1 tp10 -116.85 131.29 56.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 10.0 110.307 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.422 ' HG3' HG22 ' A' ' 29' ' ' VAL . 1.7 tt0 -155.12 71.13 0.78 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.115 . . . . 10.0 110.288 -179.959 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.1 mtpt -83.25 51.55 1.99 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 10.0 109.305 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.407 ' HB3' ' N ' ' A' ' 27' ' ' GLY . 5.2 mm-40 -155.33 141.23 18.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 10.0 110.269 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 28.8 m -81.53 -13.97 57.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 10.0 109.992 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -151.69 34.23 0.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 10.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.407 ' N ' ' HB3' ' A' ' 24' ' ' GLU . . . -113.07 177.63 18.26 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.471 1.107 . . . . 10.0 111.001 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.492 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 18.4 Cg_endo -75.0 173.15 15.0 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.527 1.804 . . . . 10.0 111.027 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.422 HG22 ' HG3' ' A' ' 22' ' ' GLN . 23.6 t -113.96 95.88 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 10.0 109.287 -179.959 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.1 mttp -65.89 90.08 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 10.0 109.335 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.818 HG22 ' CD1' ' A' ' 20' ' ' PHE . 19.7 t -88.46 130.91 37.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 10.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.403 ' CH2' ' HB2' ' A' ' 21' ' ' GLU . 6.6 p90 -151.05 160.02 44.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 10.0 108.015 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -173.25 -173.12 39.36 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.527 1.142 . . . . 10.0 111.013 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.8 p -156.44 123.05 5.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 0.735 . . . . 10.0 110.011 179.973 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 1.094 ' CG2' HD21 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -87.06 165.16 2.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 10.0 109.305 -179.99 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.488 ' N ' HG23 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -160.08 108.88 1.73 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 10.0 109.278 -180.0 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.459 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 157.92 -63.68 0.31 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.479 1.112 . . . . 10.0 111.04 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 1.094 HD21 ' CG2' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -54.68 -165.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 0.74 . . . . 10.0 109.302 179.988 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 57.7 p -134.68 160.77 37.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 10.0 110.434 179.965 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.654 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 0.8 OUTLIER -40.11 129.77 2.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 10.0 110.25 -179.97 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 136.38 173.49 12.97 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.493 1.121 . . . . 10.0 110.954 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.763 ' HB2' ' HB1' ' A' ' 123' ' ' ALA . 5.3 mp -63.68 162.27 13.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 0.756 . . . . 10.0 109.337 179.958 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.476 ' CE1' ' HB2' ' A' ' 38' ' ' LEU . 85.9 m-70 -155.09 128.07 8.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.427 1.079 . . . . 10.0 109.614 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 43' ' ' HIS . . . -37.18 154.02 0.01 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.488 1.117 . . . . 10.0 111.022 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.606 ' CD2' ' O ' ' A' ' 83' ' ' ASP . 3.9 t80 -86.14 155.98 20.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 0.766 . . . . 10.0 110.995 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.719 ' C ' HG23 ' A' ' 47' ' ' VAL . 7.5 p80 -65.28 175.21 1.76 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 10.0 109.613 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.719 HG23 ' C ' ' A' ' 46' ' ' HIS . 2.2 t 80.77 94.1 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 10.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.5 ' CG ' ' O ' ' A' ' 48' ' ' HIS . 14.6 p-80 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 10.0 109.561 -179.948 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 110.997 -0.841 . . . . 10.0 110.997 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.606 ' O ' ' CD2' ' A' ' 45' ' ' PHE . 15.7 m-20 -80.25 -68.08 0.71 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 0.764 . . . . 10.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.488 ' CB ' ' O ' ' A' ' 83' ' ' ASP . 0.2 OUTLIER 87.2 -67.6 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.112 . . . . 10.0 109.326 -179.971 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -146.14 -141.52 3.63 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.47 1.106 . . . . 10.0 110.997 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.414 ' ND2' ' HB2' ' A' ' 124' ' ' ASP . 0.9 OUTLIER -146.1 170.83 15.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 0.781 . . . . 10.0 109.338 179.979 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.404 ' O ' ' HA ' ' A' ' 42' ' ' LEU . 33.1 m -126.17 157.46 36.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 10.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 4.4 m -111.02 147.78 34.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 10.0 110.406 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.654 ' HB3' ' HA ' ' A' ' 40' ' ' GLU . . . -84.71 168.3 15.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 10.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.448 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 25.4 t0 -72.88 -100.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.155 . . . . 10.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.448 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 31.2 pttt -134.7 6.21 3.45 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 10.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -149.69 19.35 0.91 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 10.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.584 ' CA ' ' HB1' ' A' ' 89' ' ' ALA . . . 103.25 -46.92 1.15 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.533 1.145 . . . . 10.0 111.009 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.549 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 53.7 t -36.02 111.62 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.533 0.784 . . . . 10.0 109.311 -179.957 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -116.78 123.29 46.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 10.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -109.34 145.55 35.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 10.0 109.273 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.403 ' O ' ' HA ' ' A' ' 32' ' ' TRP . 28.7 t -120.41 160.31 21.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.148 . . . . 10.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.4 t -165.41 95.78 0.66 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 10.0 110.03 179.963 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.3 mt -121.65 148.65 24.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 10.0 109.271 -179.969 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -129.07 90.97 3.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.166 . . . . 10.0 110.287 179.981 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.492 ' O ' ' CB ' ' A' ' 28' ' ' PRO . 80.0 m-20 -105.21 148.21 27.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 10.0 109.321 179.936 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.2 p -115.86 -36.83 4.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 10.0 110.008 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 73.4 t -53.38 -48.16 57.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 10.0 109.333 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.638 HD13 HD13 ' A' ' 112' ' ' ILE . 2.8 pp -64.1 171.97 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.491 1.119 . . . . 10.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -159.81 166.01 31.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 10.0 110.015 -179.957 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.904 HD23 HD11 ' A' ' 113' ' ' ILE . 1.5 mp -77.81 -37.54 48.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 10.0 109.296 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -149.13 118.44 6.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 10.0 110.0 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 171.02 -121.5 0.91 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.516 1.135 . . . . 10.0 110.949 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -92.31 -32.63 14.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 0.775 . . . . 10.0 109.286 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 7.3 m80 -87.71 -61.23 1.76 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 10.0 109.618 -179.98 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.7 p 58.04 103.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.571 1.169 . . . . 10.0 110.013 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.696 HD12 ' CE2' ' A' ' 20' ' ' PHE . 44.1 pt -97.56 -17.69 6.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 10.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.904 HD11 HD23 ' A' ' 106' ' ' LEU . 14.6 mm -59.59 117.01 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 10.0 109.255 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 108.94 26.0 5.43 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.478 1.111 . . . . 10.0 110.992 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.602 ' O ' HD12 ' A' ' 149' ' ' ILE . 5.7 mtt180 -86.85 76.88 9.37 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 0.759 . . . . 10.0 110.329 179.999 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.521 ' OG1' HG22 ' A' ' 148' ' ' VAL . 31.0 m -45.33 93.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 10.0 110.386 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.854 HD12 HD11 ' A' ' 149' ' ' ILE . 0.1 OUTLIER -69.26 143.9 53.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 10.0 109.302 179.975 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.573 HG21 ' HB2' ' A' ' 143' ' ' ARG . 7.5 p -158.43 166.85 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 10.0 109.317 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.618 ' CG2' HG11 ' A' ' 14' ' ' VAL . 2.1 m -136.4 160.33 37.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 10.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -88.62 -167.02 1.75 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 10.0 109.586 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.466 ' CA ' HD21 ' A' ' 144' ' ' LEU . 0.5 OUTLIER -105.55 -39.9 5.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 10.0 110.357 179.979 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.09 178.28 5.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 10.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.763 ' HB1' ' HB2' ' A' ' 42' ' ' LEU . . . -80.01 161.35 25.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 10.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.457 ' CG ' ' HB2' ' A' ' 140' ' ' ALA . 0.2 OUTLIER -94.55 91.04 6.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 10.0 109.354 179.936 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -62.11 -24.97 67.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.105 . . . . 10.0 109.315 -179.958 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 30.9 mt 58.63 19.17 6.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 10.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 158.34 116.07 0.46 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.553 1.158 . . . . 10.0 110.957 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.82 -35.19 5.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 0.749 . . . . 10.0 109.327 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 149.97 -45.8 0.66 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.47 1.106 . . . . 10.0 111.001 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -87.47 159.88 31.18 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 110.954 -0.858 . . . . 10.0 110.954 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . 0.517 ' O ' ' CB ' ' A' ' 132' ' ' GLU . 5.4 m-80 -112.9 111.39 22.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 0.748 . . . . 10.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.517 ' CB ' ' O ' ' A' ' 131' ' ' ASN . 1.4 mt-10 159.85 -22.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 10.0 110.297 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . 0.443 ' O ' ' CG ' ' A' ' 136' ' ' LYS . 0.8 OUTLIER -110.67 -64.83 1.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 10.0 110.334 179.989 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . 0.502 ' HA ' ' CA ' ' A' ' 138' ' ' GLY . 0.3 OUTLIER -69.49 -27.03 64.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 10.0 110.028 179.955 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . 0.509 ' OG1' ' N ' ' A' ' 132' ' ' GLU . 7.0 p -76.28 -13.87 60.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 10.0 110.398 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.606 ' HG3' HG23 ' A' ' 137' ' ' THR . 31.1 pttt -105.42 -30.74 9.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 10.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . 0.606 HG23 ' HG3' ' A' ' 136' ' ' LYS . 74.1 p -137.6 -71.68 0.43 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 10.0 110.388 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . 0.502 ' CA ' ' HA ' ' A' ' 134' ' ' SER . . . 144.32 43.53 0.05 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.457 1.098 . . . . 10.0 110.99 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 1.6 m120 47.57 24.82 0.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 0.771 . . . . 10.0 109.281 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.457 ' HB2' ' CG ' ' A' ' 124' ' ' ASP . . . -64.51 -62.0 1.86 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.539 1.149 . . . . 10.0 109.355 179.951 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 142.07 -119.01 1.37 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.455 1.097 . . . . 10.0 110.982 179.991 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . 0.848 ' O ' HD23 ' A' ' 144' ' ' LEU . 2.5 t -151.95 122.71 7.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 0.723 . . . . 10.0 110.042 -179.985 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . 0.573 ' HB2' HG21 ' A' ' 118' ' ' VAL . 0.0 OUTLIER -42.87 151.14 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 10.0 110.308 179.989 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.848 HD23 ' O ' ' A' ' 142' ' ' SER . 0.4 OUTLIER -162.47 77.49 0.48 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 10.0 109.308 179.978 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . 0.682 ' HB2' ' O ' ' A' ' 144' ' ' LEU . . . 162.54 160.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.421 1.076 . . . . 10.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 146' ' ' CYS . . . . . 0.413 ' HA ' ' O ' ' A' ' 117' ' ' LEU . 1.3 m -156.23 65.41 0.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.103 . . . . 10.0 108.251 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . 0.803 ' O ' ' HB1' ' A' ' 6' ' ' ALA . . . -79.64 63.73 3.95 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.504 1.127 . . . . 10.0 111.0 179.958 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.521 HG22 ' OG1' ' A' ' 116' ' ' THR . 2.6 t -53.54 127.97 12.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.519 0.776 . . . . 10.0 109.346 179.961 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 149' ' ' ILE . . . . . 0.854 HD11 HD12 ' A' ' 117' ' ' LEU . 3.7 mp -85.07 122.05 37.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 10.0 109.29 -179.966 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -138.14 140.02 10.82 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.494 1.121 . . . . 10.0 110.951 -179.969 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . 0.811 HD12 HG22 ' A' ' 2' ' ' THR . 18.5 mm -51.58 144.27 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.522 0.778 . . . . 10.0 109.316 179.926 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . 0.639 ' HB3' HG23 ' A' ' 5' ' ' VAL . . . -148.68 160.76 42.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 10.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 10.0 110.332 179.973 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.928 HG21 HD12 ' A' ' 151' ' ' ILE . 93.6 m . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.388 -0.227 . . . . 10.0 110.388 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.583 ' O ' ' HB3' ' A' ' 152' ' ' ALA . 1.7 ttmt -119.15 102.67 8.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 10.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.996 ' HB3' ' HB2' ' A' ' 20' ' ' PHE . . . -83.93 167.98 16.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 10.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.662 HG22 ' HB2' ' A' ' 152' ' ' ALA . 0.1 OUTLIER -154.71 148.95 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 10.0 109.332 -179.975 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.649 ' HB3' ' CG1' ' A' ' 18' ' ' ILE . . . -144.42 104.73 4.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 10.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.458 ' O ' HG13 ' A' ' 7' ' ' VAL . 6.3 p -82.27 87.38 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 10.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.666 HD22 ' HA3' ' A' ' 147' ' ' GLY . 0.7 OUTLIER -39.27 141.99 0.29 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 10.0 109.272 -179.963 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -176.75 121.66 0.14 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 10.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -174.66 -73.71 0.05 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.529 1.143 . . . . 10.0 110.998 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.91 ' CB ' HD12 ' A' ' 144' ' ' LEU . 66.8 t0 -54.6 -41.04 69.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 0.743 . . . . 10.0 109.353 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.422 ' N ' ' CD ' ' A' ' 13' ' ' PRO . . . 124.18 -55.9 0.7 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.524 1.14 . . . . 10.0 110.987 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.422 ' CD ' ' N ' ' A' ' 12' ' ' GLY . 18.3 Cg_endo -74.99 -24.1 13.18 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.524 1.802 . . . . 10.0 111.018 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.517 ' O ' ' CG1' ' A' ' 14' ' ' VAL . 0.3 OUTLIER -90.9 113.12 26.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 10.0 109.273 179.987 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -131.94 49.83 2.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 10.0 110.263 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.48 ' N ' ' HB2' ' A' ' 8' ' ' LEU . . . -61.46 166.93 14.5 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.51 1.131 . . . . 10.0 110.996 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 52.6 mt -141.78 110.16 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.539 0.788 . . . . 10.0 109.266 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.765 HD13 ' CE1' ' A' ' 20' ' ' PHE . 0.6 OUTLIER -97.52 161.13 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 10.0 109.317 179.985 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.702 ' N ' HD12 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -150.94 118.47 6.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 10.0 109.269 -179.969 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.996 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 3.9 m-30 -106.61 98.01 7.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 10.0 111.006 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 30' ' ' LYS . 21.8 tt0 -113.62 135.82 53.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.082 . . . . 10.0 110.293 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -137.59 58.41 1.7 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 10.0 110.327 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.84 66.13 0.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 10.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.408 ' O ' ' CB ' ' A' ' 25' ' ' SER . 1.7 mm-40 -136.6 -50.11 0.66 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 10.0 110.274 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.408 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 0.1 OUTLIER 79.47 -4.7 1.99 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 10.0 110.007 -179.977 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 19.5 m-20 -163.82 29.24 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 10.0 109.273 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -137.84 -173.9 13.14 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.53 1.144 . . . . 10.0 110.98 -179.967 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.422 ' HA ' ' HA ' ' A' ' 102' ' ' SER . 18.3 Cg_endo -75.03 156.97 42.88 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.473 1.775 . . . . 10.0 111.001 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.3 t -84.34 122.43 37.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 10.0 109.307 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 21' ' ' GLU . 21.2 mttt -75.44 89.36 2.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.128 . . . . 10.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.776 HG13 ' CE1' ' A' ' 20' ' ' PHE . 21.6 t -88.65 126.55 41.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 10.0 109.321 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.56 ' CE2' ' CG ' ' A' ' 19' ' ' ASN . 0.0 OUTLIER -155.95 167.96 28.76 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.002 -1.11 . . . . 10.0 108.002 -179.975 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.469 ' N ' ' CD1' ' A' ' 32' ' ' TRP . . . 178.38 -173.45 45.86 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.515 1.134 . . . . 10.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.7 m -156.03 116.76 3.77 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.466 0.745 . . . . 10.0 109.978 -179.963 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.895 HG21 HD12 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -85.25 161.09 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 10.0 109.272 -179.953 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.437 ' CG ' ' O ' ' A' ' 35' ' ' ILE . 21.8 mttt -153.93 99.06 2.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 10.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 146.65 -35.12 1.32 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.492 1.12 . . . . 10.0 111.019 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.895 HD12 HG21 ' A' ' 35' ' ' ILE . 8.0 mt -53.34 -170.32 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 0.744 . . . . 10.0 109.33 179.942 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.1 p -133.95 130.64 37.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 10.0 110.384 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.722 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -41.47 109.27 0.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 10.0 110.33 179.965 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.441 ' C ' HD13 ' A' ' 42' ' ' LEU . . . 154.03 -144.33 11.12 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.497 1.123 . . . . 10.0 110.99 -179.977 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.885 ' C ' ' HB2' ' A' ' 123' ' ' ALA . 0.2 OUTLIER -97.71 149.96 21.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 0.76 . . . . 10.0 109.291 -179.974 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.558 ' CE1' ' HB ' ' A' ' 87' ' ' VAL . 3.5 p80 -155.45 135.0 12.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 10.0 109.578 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.519 ' HA3' ' CD2' ' A' ' 120' ' ' HIS . . . -40.16 161.49 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.442 1.089 . . . . 10.0 110.994 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.55 ' CG ' ' O ' ' A' ' 83' ' ' ASP . 28.1 t80 -103.1 163.2 12.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 0.768 . . . . 10.0 111.067 179.953 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.725 ' C ' HG23 ' A' ' 47' ' ' VAL . 2.3 m-70 -67.2 175.68 2.54 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.505 1.128 . . . . 10.0 109.615 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.725 HG23 ' C ' ' A' ' 46' ' ' HIS . 2.5 t 83.75 122.63 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 10.0 109.303 179.95 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.477 ' NE2' ' CZ ' ' A' ' 143' ' ' ARG . 5.0 p-80 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 10.0 109.587 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 110.992 -0.843 . . . . 10.0 110.992 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.55 ' O ' ' CG ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -65.58 -14.3 60.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 0.747 . . . . 10.0 109.324 179.97 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.639 HD23 ' H ' ' A' ' 85' ' ' GLY . 0.4 OUTLIER 54.66 -92.65 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 10.0 109.312 -179.966 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.639 ' H ' HD23 ' A' ' 84' ' ' LEU . . . -123.96 169.18 16.06 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.458 1.099 . . . . 10.0 111.027 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -84.21 173.75 10.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 0.799 . . . . 10.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.695 HG12 ' H ' ' A' ' 88' ' ' THR . 2.6 t -126.42 178.28 4.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 10.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.695 ' H ' HG12 ' A' ' 87' ' ' VAL . 51.8 m -144.25 134.49 24.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 10.0 110.432 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.722 ' HB3' ' HA ' ' A' ' 40' ' ' GLU . . . -85.92 175.19 8.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 10.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.445 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 6.7 t70 -82.21 -97.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 10.0 109.334 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.504 ' CG ' ' O ' ' A' ' 91' ' ' LYS . 9.1 ttpt -138.44 10.61 2.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 10.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -150.41 21.06 0.84 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.562 1.164 . . . . 10.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.46 ' CA ' ' HB1' ' A' ' 89' ' ' ALA . . . 89.91 -30.52 5.78 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.525 1.141 . . . . 10.0 110.96 179.911 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.563 HG13 ' O ' ' A' ' 35' ' ' ILE . 18.9 t -44.59 104.14 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 0.751 . . . . 10.0 109.257 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.406 ' HB3' ' HB ' ' A' ' 35' ' ' ILE . . . -106.92 116.55 32.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 10.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.412 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 1.2 t70 -108.25 145.09 34.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 10.0 109.267 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.454 HG12 ' N ' ' A' ' 98' ' ' SER . 23.9 t -110.65 165.15 6.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 10.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.454 ' N ' HG12 ' A' ' 97' ' ' VAL . 87.6 p 179.34 93.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 10.0 109.971 179.951 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.493 HG22 ' H ' ' A' ' 100' ' ' GLU . 1.2 mt -143.87 173.37 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 10.0 109.277 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.493 ' H ' HG22 ' A' ' 99' ' ' ILE . 17.1 mt-10 -137.3 107.29 6.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 10.0 110.338 179.961 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -111.31 123.06 49.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 10.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.422 ' HA ' ' HA ' ' A' ' 28' ' ' PRO . 0.1 OUTLIER -117.13 74.36 0.91 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 10.0 109.976 179.998 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 55.8 t -150.13 -47.25 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 10.0 109.272 179.985 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.692 HG13 HG21 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -87.47 -169.03 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 10.0 109.307 -179.983 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . 0.426 ' N ' HG12 ' A' ' 104' ' ' ILE . 0.4 OUTLIER -153.38 158.68 41.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 10.0 109.955 -179.977 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -85.65 -43.03 13.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 10.0 109.275 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -148.7 76.0 1.33 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 10.0 110.019 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -148.27 -126.09 1.55 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.587 1.179 . . . . 10.0 111.011 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -94.76 5.51 51.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 0.764 . . . . 10.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 26.4 m-70 -122.87 -56.19 1.77 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.095 . . . . 10.0 109.609 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 7.5 t 45.86 94.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 10.0 110.005 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.692 HG21 HG13 ' A' ' 104' ' ' ILE . 1.1 pt -90.43 -7.54 10.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 10.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 18.0 mt -49.78 127.76 5.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 10.0 109.285 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 121.37 3.1 10.6 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.462 1.101 . . . . 10.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.558 ' O ' HD22 ' A' ' 117' ' ' LEU . 30.9 mtt180 -85.27 83.0 8.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 0.734 . . . . 10.0 110.325 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.763 ' O ' HG23 ' A' ' 118' ' ' VAL . 9.8 t -55.71 106.28 0.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 10.0 110.366 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.615 HD21 HD11 ' A' ' 149' ' ' ILE . 3.8 mm? -61.14 88.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.1 . . . . 10.0 109.267 -180.0 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.836 HG11 ' HG2' ' A' ' 143' ' ' ARG . 3.4 t -84.7 151.09 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 10.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.5 ' CG1' HD11 ' A' ' 38' ' ' LEU . 65.9 t -135.86 127.56 44.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 10.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.519 ' CD2' ' HA3' ' A' ' 44' ' ' GLY . 4.9 m-70 -84.78 131.69 34.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 10.0 109.58 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.57 -39.99 50.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 10.0 110.351 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.864 ' HB3' ' HB1' ' A' ' 140' ' ' ALA . 0.6 OUTLIER -120.06 168.85 10.76 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.129 . . . . 10.0 109.258 -179.98 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.885 ' HB2' ' C ' ' A' ' 42' ' ' LEU . . . -94.12 -164.51 1.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 10.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -152.0 96.23 2.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 10.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 126' ' ' LEU . 13.9 m-20 -86.57 48.19 1.6 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 10.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' A' ' 125' ' ' ASP . 2.2 mp 39.42 68.15 0.39 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 10.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . 0.443 ' C ' ' N ' ' A' ' 129' ' ' GLY . . . -93.27 -45.84 3.43 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.53 1.144 . . . . 10.0 110.948 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.781 ' HB2' HG22 ' A' ' 135' ' ' THR . 9.0 pttp 41.56 28.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 0.768 . . . . 10.0 109.303 -179.942 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 0.443 ' N ' ' C ' ' A' ' 127' ' ' GLY . . . -41.09 -40.43 2.4 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.46 1.1 . . . . 10.0 111.062 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -101.67 -134.52 8.49 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.023 -0.831 . . . . 10.0 111.023 179.951 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -154.42 139.47 17.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 0.754 . . . . 10.0 109.333 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 59.82 22.89 11.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 10.0 110.271 -179.977 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -134.52 -80.23 0.45 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 10.0 110.27 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . 0.422 ' HB3' ' N ' ' A' ' 139' ' ' ASN . 1.2 p -75.09 -27.94 60.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 10.0 110.031 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . 0.781 HG22 ' HB2' ' A' ' 128' ' ' LYS . 17.6 p -46.48 -31.32 2.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 10.0 110.415 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 5.9 pttt -101.37 -28.34 12.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 10.0 109.329 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . 0.426 ' OG1' ' N ' ' A' ' 138' ' ' GLY . 68.6 p -123.83 -101.19 0.4 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 10.0 110.372 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . 0.455 ' O ' ' N ' ' A' ' 140' ' ' ALA . . . 173.89 35.26 0.04 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.503 1.127 . . . . 10.0 111.007 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 139' ' ' ASN . . . . . 0.454 ' C ' ' O ' ' A' ' 138' ' ' GLY . 7.2 t-20 35.94 34.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 0.782 . . . . 10.0 109.307 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.864 ' HB1' ' HB3' ' A' ' 122' ' ' LYS . . . -98.93 -58.75 1.87 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 10.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -167.34 -136.09 1.98 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.488 1.117 . . . . 10.0 111.013 179.978 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 143' ' ' ARG . 1.0 OUTLIER -176.77 -168.51 0.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 0.795 . . . . 10.0 109.989 179.996 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . 0.931 ' O ' HD22 ' A' ' 144' ' ' LEU . 11.0 mtp180 -38.83 145.75 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.087 . . . . 10.0 110.306 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.931 HD22 ' O ' ' A' ' 143' ' ' ARG . 0.2 OUTLIER -161.68 28.35 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 10.0 109.303 179.997 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . 0.43 ' HB1' ' CD1' ' A' ' 8' ' ' LEU . . . -167.43 169.08 12.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 10.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 146' ' ' CYS . . . . . 0.444 ' HA ' ' OG1' ' A' ' 116' ' ' THR . 0.0 OUTLIER -155.0 72.58 0.84 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 10.0 108.305 179.985 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . 0.666 ' HA3' HD22 ' A' ' 8' ' ' LEU . . . -89.51 72.11 2.19 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.464 1.103 . . . . 10.0 111.03 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 18.8 t -65.31 136.72 26.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.534 0.785 . . . . 10.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 149' ' ' ILE . . . . . 0.77 HG23 ' HB1' ' A' ' 4' ' ' ALA . 1.1 mp -73.74 111.55 9.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 10.0 109.301 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 151' ' ' ILE . . . -120.99 111.7 1.97 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.486 1.116 . . . . 10.0 110.994 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . 0.928 HD12 HG21 ' A' ' 2' ' ' THR . 13.8 mm -39.62 142.22 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.765 . . . . 10.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . 0.662 ' HB2' HG22 ' A' ' 5' ' ' VAL . . . -103.8 168.62 9.02 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.505 1.128 . . . . 10.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 10.0 110.313 -179.979 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.718 HG22 ' O ' ' A' ' 2' ' ' THR . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.419 -0.215 . . . . 10.0 110.419 . . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -92.39 99.98 12.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 10.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 1.013 ' HB1' HG23 ' A' ' 149' ' ' ILE . . . -85.28 149.94 25.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 10.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 6.1 t -118.96 151.23 21.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 10.0 109.33 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.839 ' HB3' HG23 ' A' ' 18' ' ' ILE . . . -155.52 86.75 1.08 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 10.0 109.328 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.573 HG23 HG12 ' A' ' 17' ' ' ILE . 7.4 p -84.21 107.42 15.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 10.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.674 HD11 ' CD2' ' A' ' 117' ' ' LEU . 0.8 OUTLIER -56.34 130.97 46.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 10.0 109.356 179.977 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.607 ' N ' ' HB1' ' A' ' 145' ' ' ALA . 18.9 tttt -159.1 132.17 7.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 10.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 11' ' ' ASP . . . 176.07 -94.97 0.1 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.475 1.109 . . . . 10.0 111.006 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 10' ' ' GLY . 45.3 t0 -38.43 -63.17 0.52 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 0.749 . . . . 10.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.418 ' N ' ' CD ' ' A' ' 13' ' ' PRO . . . 157.57 -55.79 0.38 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.448 1.092 . . . . 10.0 110.997 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.418 ' CD ' ' N ' ' A' ' 12' ' ' GLY . 18.4 Cg_endo -74.99 -38.5 1.57 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.477 1.777 . . . . 10.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.486 ' O ' HG12 ' A' ' 14' ' ' VAL . 3.2 t -65.14 94.55 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 10.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -119.59 37.77 4.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 10.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.489 ' N ' ' HB2' ' A' ' 8' ' ' LEU . . . -52.42 161.82 2.27 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.531 1.144 . . . . 10.0 110.952 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.573 HG12 HG23 ' A' ' 7' ' ' VAL . 65.2 mt -142.75 100.84 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.46 0.741 . . . . 10.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.839 HG23 ' HB3' ' A' ' 6' ' ' ALA . 0.3 OUTLIER -108.28 161.3 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 10.0 109.256 -179.969 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.45 ' N ' ' CG1' ' A' ' 18' ' ' ILE . 0.1 OUTLIER -152.92 157.75 41.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 10.0 109.262 179.99 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.805 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 6.3 m-85 -129.85 107.04 9.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 10.0 111.025 179.932 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -96.79 148.92 22.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 10.0 110.323 -179.996 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.587 ' HG3' HG22 ' A' ' 29' ' ' VAL . 17.6 tt0 -146.56 82.99 1.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 10.0 110.291 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.8 mttt -76.53 55.94 1.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 10.0 109.309 -180.0 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -156.2 -44.36 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 10.0 110.277 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 75.06 1.76 3.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 10.0 109.983 180.0 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -167.91 31.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 10.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -141.07 -144.03 4.37 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.49 1.119 . . . . 10.0 111.002 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.464 ' HA ' ' O ' ' A' ' 101' ' ' ASP . 18.2 Cg_endo -75.03 157.92 42.38 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.492 1.785 . . . . 10.0 110.986 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.587 HG22 ' HG3' ' A' ' 22' ' ' GLN . 46.7 t -120.63 114.55 44.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 10.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.6 mttt -76.29 97.27 4.15 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 10.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.674 HG22 ' CD2' ' A' ' 20' ' ' PHE . 42.5 t -89.79 142.26 13.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 10.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -167.62 156.55 9.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 10.0 107.976 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.458 ' CA ' ' HA ' ' A' ' 18' ' ' ILE . . . -172.22 -173.98 39.29 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.517 1.136 . . . . 10.0 110.999 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.4 m -156.95 121.28 4.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 0.734 . . . . 10.0 110.026 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.905 HG21 HD13 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -83.98 165.8 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 10.0 109.345 179.978 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.509 ' N ' HG23 ' A' ' 35' ' ' ILE . 14.3 mtmt -155.96 109.72 2.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 10.0 109.265 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.454 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 140.07 -45.23 1.01 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.524 1.14 . . . . 10.0 110.969 179.949 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.905 HD13 HG21 ' A' ' 35' ' ' ILE . 1.7 mp -52.42 -171.66 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 0.746 . . . . 10.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.448 ' O ' ' NE2' ' A' ' 43' ' ' HIS . 17.6 p -133.32 137.93 46.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 10.0 110.401 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.599 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 0.4 OUTLIER -37.17 116.79 0.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 10.0 110.305 179.991 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.409 ' O ' ' HA ' ' A' ' 88' ' ' THR . . . 151.27 -176.82 29.58 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.443 1.089 . . . . 10.0 110.958 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.942 HD22 ' ND2' ' A' ' 86' ' ' ASN . 1.3 mt -75.5 138.68 41.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 0.78 . . . . 10.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.668 ' CD2' HD22 ' A' ' 38' ' ' LEU . 58.4 m-70 -133.63 170.63 15.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 10.0 109.614 -179.952 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -86.96 153.92 26.12 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.501 1.126 . . . . 10.0 111.005 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.564 ' CE1' HD12 ' A' ' 117' ' ' LEU . 10.6 t80 -142.67 78.9 1.63 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 0.764 . . . . 10.0 110.981 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.634 ' NE2' ' CD2' ' A' ' 120' ' ' HIS . 2.4 m170 -84.61 176.51 8.55 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 10.0 109.605 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.792 ' O ' HG12 ' A' ' 47' ' ' VAL . 24.4 t -139.35 61.31 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 10.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.443 ' C ' ' O ' ' A' ' 47' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 10.0 109.596 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 110.999 -0.84 . . . . 10.0 110.999 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.494 ' O ' ' CB ' ' A' ' 84' ' ' LEU . 1.0 OUTLIER -71.86 -52.88 15.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 0.75 . . . . 10.0 109.288 -179.98 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.494 ' CB ' ' O ' ' A' ' 83' ' ' ASP . 0.5 OUTLIER 87.04 -4.24 0.65 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 10.0 109.285 179.964 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 150.64 -153.32 24.95 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.496 1.123 . . . . 10.0 110.996 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.942 ' ND2' HD22 ' A' ' 42' ' ' LEU . 31.5 p-10 -121.42 159.13 26.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 0.779 . . . . 10.0 109.259 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.811 ' O ' HD23 ' A' ' 42' ' ' LEU . 20.8 m -113.8 -167.08 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 10.0 109.334 179.929 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.409 ' HA ' ' O ' ' A' ' 41' ' ' GLY . 70.0 m -156.14 148.4 23.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 10.0 110.405 179.963 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.599 ' HB3' ' HA ' ' A' ' 40' ' ' GLU . . . -85.92 175.52 8.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 10.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.449 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 9.3 t70 -77.6 -97.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 10.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.449 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 23.2 mtmt -138.51 10.82 2.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 10.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -155.06 24.42 0.43 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 10.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.589 ' C ' ' HB1' ' A' ' 89' ' ' ALA . . . 93.92 -37.45 3.4 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.473 1.108 . . . . 10.0 110.99 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.479 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 73.8 t -41.02 101.19 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.517 0.775 . . . . 10.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.563 ' HB3' ' HB ' ' A' ' 35' ' ' ILE . . . -100.11 115.95 31.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 10.0 109.286 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.432 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 4.0 p-10 -107.69 149.87 27.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 10.0 109.266 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.508 HG12 ' N ' ' A' ' 98' ' ' SER . 94.6 t -124.87 165.67 21.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 10.0 109.314 179.947 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.508 ' N ' HG12 ' A' ' 97' ' ' VAL . 22.2 p -175.61 93.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 10.0 110.023 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 20.9 mt -134.29 153.72 36.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 10.0 109.318 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -132.55 90.16 2.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 10.0 110.341 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.464 ' O ' ' HA ' ' A' ' 28' ' ' PRO . 80.4 m-20 -95.61 159.89 14.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 10.0 109.279 -179.941 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -138.42 12.85 2.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 10.0 110.032 179.968 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 49.6 t -97.46 -41.97 11.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.13 . . . . 10.0 109.287 179.995 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.525 ' CG1' HG21 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -77.84 -176.96 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 10.0 109.285 -179.984 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . 0.408 ' O ' ' N ' ' A' ' 112' ' ' ILE . 47.1 t -162.82 146.81 11.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 10.0 110.002 -179.972 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.639 HD13 ' CG1' ' A' ' 112' ' ' ILE . 2.9 mm? -61.76 -41.8 98.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 10.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.29 86.31 1.16 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 10.0 109.97 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -153.25 -116.07 0.62 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.504 1.127 . . . . 10.0 111.015 179.967 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -97.47 6.95 47.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 0.776 . . . . 10.0 109.272 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 64.0 m80 -132.39 -47.68 0.9 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 10.0 109.581 -179.998 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 59.5 p 51.9 87.62 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.453 1.096 . . . . 10.0 109.953 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.639 ' CG1' HD13 ' A' ' 106' ' ' LEU . 35.9 pt -88.72 -5.69 10.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 10.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 9.9 mm -56.34 113.54 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 10.0 109.265 -179.968 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 104.83 41.86 1.91 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.468 1.105 . . . . 10.0 111.032 -179.996 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.845 ' HB2' HD13 ' A' ' 149' ' ' ILE . 5.1 mtm180 -83.9 69.17 10.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 0.783 . . . . 10.0 110.304 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 1.051 ' OG1' HG22 ' A' ' 148' ' ' VAL . 87.6 m -62.66 80.47 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 10.0 110.422 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.674 ' CD2' HD11 ' A' ' 8' ' ' LEU . 0.1 OUTLIER -73.89 117.44 15.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 10.0 109.285 179.978 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 1.009 HG13 ' O ' ' A' ' 145' ' ' ALA . 1.5 t -114.92 122.66 69.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 10.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 1.012 HG23 HD12 ' A' ' 144' ' ' LEU . 30.1 m -82.52 149.16 4.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 10.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.634 ' CD2' ' NE2' ' A' ' 46' ' ' HIS . 0.3 OUTLIER -84.82 151.98 23.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 10.0 109.622 -179.973 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.56 -14.27 12.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 10.0 110.298 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.543 ' HB3' ' HB2' ' A' ' 140' ' ' ALA . 1.8 tmtt? -149.52 -179.19 6.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.16 . . . . 10.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -69.25 166.84 17.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 10.0 109.259 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.433 ' OD1' ' N ' ' A' ' 124' ' ' ASP . 0.0 OUTLIER -45.02 -90.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 10.0 109.285 179.991 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . 0.433 ' OD1' ' CB ' ' A' ' 134' ' ' SER . 8.1 t70 -175.34 -39.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 10.0 109.271 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 3.7 mt 50.09 22.65 0.96 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 10.0 109.246 179.961 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 84.92 105.88 0.64 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.52 1.137 . . . . 10.0 110.991 -179.991 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 1.4 mttm -92.92 -84.37 0.29 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 0.785 . . . . 10.0 109.317 179.962 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 169.05 -34.61 0.19 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.526 1.141 . . . . 10.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -61.94 -166.56 0.49 Allowed Glycine 0 CA--C 1.529 0.967 0 N-CA-C 110.961 -0.855 . . . . 10.0 110.961 -179.974 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 19.7 m-80 -152.37 138.04 17.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 0.735 . . . . 10.0 109.303 -179.996 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 68.8 13.7 8.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 10.0 110.333 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.05 -64.78 0.94 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 10.0 110.312 179.964 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . 0.56 ' HA ' ' CA ' ' A' ' 138' ' ' GLY . 0.0 OUTLIER -91.88 -18.0 24.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 10.0 109.984 -179.984 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 75.0 p -82.78 7.95 13.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.414 1.071 . . . . 10.0 110.346 -179.947 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.698 ' HG2' HG23 ' A' ' 137' ' ' THR . 1.3 ttpt -127.8 -53.72 1.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 10.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . 0.698 HG23 ' HG2' ' A' ' 136' ' ' LYS . 27.0 p -114.37 -22.47 9.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 10.0 110.395 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . 0.56 ' CA ' ' HA ' ' A' ' 134' ' ' SER . . . 96.55 15.26 41.11 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.541 1.151 . . . . 10.0 110.978 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 139' ' ' ASN . . . . . 0.483 ' CB ' ' O ' ' A' ' 138' ' ' GLY . 2.5 t-20 81.59 -3.7 1.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 0.744 . . . . 10.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.543 ' HB2' ' HB3' ' A' ' 122' ' ' LYS . . . -123.87 79.92 1.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 10.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . 0.591 ' HA2' ' CE1' ' A' ' 120' ' ' HIS . . . -117.65 111.88 2.32 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.544 1.153 . . . . 10.0 111.014 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . 0.405 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 0.4 OUTLIER 165.43 97.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 0.787 . . . . 10.0 110.041 -179.982 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . 0.547 ' CG ' HG11 ' A' ' 118' ' ' VAL . 0.0 OUTLIER -46.59 161.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 10.0 110.295 -179.981 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 1.012 HD12 HG23 ' A' ' 119' ' ' VAL . 94.6 mt -123.29 -76.58 0.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 10.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . 1.009 ' O ' HG13 ' A' ' 118' ' ' VAL . . . -118.2 176.22 5.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 10.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 146' ' ' CYS . . . . . 0.703 ' O ' HG23 ' A' ' 148' ' ' VAL . 0.5 OUTLIER -149.22 70.4 1.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 10.0 108.316 179.983 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . 0.553 ' H ' HD13 ' A' ' 8' ' ' LEU . . . -37.98 -58.68 1.52 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.539 1.15 . . . . 10.0 110.979 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 1.051 HG22 ' OG1' ' A' ' 116' ' ' THR . 85.9 t 68.15 115.03 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 0.78 . . . . 10.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 149' ' ' ILE . . . . . 1.013 HG23 ' HB1' ' A' ' 4' ' ' ALA . 1.7 mp -69.57 135.55 28.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 10.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 151' ' ' ILE . . . -144.86 110.76 0.57 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.533 1.146 . . . . 10.0 110.987 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . 0.672 ' CD1' HG23 ' A' ' 2' ' ' THR . 16.2 mm -39.38 145.46 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.498 0.764 . . . . 10.0 109.277 179.959 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -143.13 168.26 20.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 10.0 109.287 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 10.0 110.29 -179.982 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.536 HG22 ' H ' ' A' ' 3' ' ' LYS . 19.7 m . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.425 -0.213 . . . . 10.0 110.425 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.536 ' H ' HG22 ' A' ' 2' ' ' THR . 0.1 OUTLIER -97.53 90.99 5.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 10.0 109.268 -179.966 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.601 ' HB1' HG22 ' A' ' 149' ' ' ILE . . . -84.46 155.16 22.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 10.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.77 HG13 HD22 ' A' ' 19' ' ' ASN . 0.8 OUTLIER -135.52 142.73 38.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 10.0 109.279 179.999 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.753 ' HB1' ' O ' ' A' ' 147' ' ' GLY . . . -138.73 92.79 2.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 10.0 109.327 -179.943 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.565 ' O ' HG13 ' A' ' 7' ' ' VAL . 12.4 p -83.45 97.57 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 10.0 109.28 -179.952 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.521 HD22 ' HA3' ' A' ' 147' ' ' GLY . 1.3 mm? -42.77 139.85 1.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 10.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.4 tmtt? -173.34 120.88 0.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.436 1.085 . . . . 10.0 109.321 -179.978 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -179.88 -85.35 0.06 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.501 1.126 . . . . 10.0 111.019 -179.977 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -40.02 -47.34 2.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 0.767 . . . . 10.0 109.268 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 128.27 -57.03 0.72 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.516 1.135 . . . . 10.0 111.007 -179.946 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.447 ' O ' ' NE2' ' A' ' 15' ' ' GLN . 18.3 Cg_endo -75.04 -32.24 5.49 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.488 1.783 . . . . 10.0 111.016 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.654 ' CG2' HD12 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -81.99 113.38 21.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 10.0 109.313 179.98 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.447 ' NE2' ' O ' ' A' ' 13' ' ' PRO . 0.0 OUTLIER -132.9 56.44 1.85 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 10.0 110.316 -179.994 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.493 ' CA ' ' HA ' ' A' ' 35' ' ' ILE . . . -65.3 167.0 32.87 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.5 1.125 . . . . 10.0 111.026 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 24.6 mt -139.64 108.89 3.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 0.769 . . . . 10.0 109.291 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.844 ' C ' HD13 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -132.1 134.47 59.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 10.0 109.303 179.983 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.77 HD22 HG13 ' A' ' 5' ' ' VAL . 0.0 OUTLIER -125.94 163.32 23.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 10.0 109.299 179.993 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.957 ' CE1' HG13 ' A' ' 31' ' ' VAL . 2.1 m-85 -131.53 104.0 6.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 10.0 111.039 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.412 ' HA ' ' O ' ' A' ' 2' ' ' THR . 50.1 tt0 -114.72 118.59 34.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 10.0 110.307 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.767 ' CG ' HG22 ' A' ' 29' ' ' VAL . 1.1 tt0 -140.5 58.34 1.57 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 10.0 110.28 -179.968 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.5 mtmt -77.47 71.17 3.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 10.0 109.322 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.471 ' O ' ' CB ' ' A' ' 25' ' ' SER . 0.0 OUTLIER -134.65 -47.78 0.75 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 10.0 110.323 -179.972 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.471 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 2.3 m 83.28 -8.32 1.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 10.0 110.004 179.973 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 39.1 p-10 -167.23 31.21 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 10.0 109.317 179.94 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -132.11 -172.62 13.1 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.511 1.132 . . . . 10.0 111.017 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.404 ' HA ' ' HA ' ' A' ' 102' ' ' SER . 18.3 Cg_endo -75.03 154.98 42.76 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.491 1.785 . . . . 10.0 110.995 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.767 HG22 ' CG ' ' A' ' 22' ' ' GLN . 78.1 t -97.56 117.74 42.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 10.0 109.257 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.6 mttt -74.08 92.6 2.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.437 1.086 . . . . 10.0 109.293 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.957 HG13 ' CE1' ' A' ' 20' ' ' PHE . 87.8 t -98.23 112.9 31.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.145 . . . . 10.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.408 ' HA ' ' O ' ' A' ' 97' ' ' VAL . 0.6 OUTLIER -141.21 155.72 46.01 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.977 -1.12 . . . . 10.0 107.977 179.992 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.411 ' O ' ' HA ' ' A' ' 96' ' ' ASP . . . -177.17 179.64 47.92 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.51 1.131 . . . . 10.0 111.03 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 9.3 m -157.17 118.74 3.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 0.742 . . . . 10.0 110.031 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.771 HG21 HD13 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -84.23 162.94 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 10.0 109.287 -179.961 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.482 ' CG ' ' O ' ' A' ' 35' ' ' ILE . 14.0 mttt -155.98 102.37 2.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 10.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.459 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 141.29 -38.91 1.48 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.455 1.097 . . . . 10.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.972 HD11 HG21 ' A' ' 119' ' ' VAL . 0.5 OUTLIER -53.55 -167.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 0.745 . . . . 10.0 109.254 -179.95 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.401 ' O ' ' CE1' ' A' ' 43' ' ' HIS . 50.1 p -130.08 146.46 51.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 10.0 110.387 -179.948 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.793 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 3.3 pt-20 -54.89 111.09 0.76 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 10.0 110.277 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 154.64 162.45 11.21 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.504 1.127 . . . . 10.0 111.001 180.0 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.674 HD23 ' OG1' ' A' ' 88' ' ' THR . 6.7 mt -56.6 142.52 39.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 0.764 . . . . 10.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.766 ' CD2' HD22 ' A' ' 38' ' ' LEU . 40.7 m-70 -123.08 174.8 7.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 10.0 109.66 179.95 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -85.14 -179.37 50.9 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.441 1.088 . . . . 10.0 110.992 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.591 ' CE1' ' CG ' ' A' ' 86' ' ' ASN . 22.8 m-85 -82.98 173.53 11.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 0.776 . . . . 10.0 111.005 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.484 ' CB ' ' HG ' ' A' ' 117' ' ' LEU . 0.0 OUTLIER -104.92 167.64 9.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 10.0 109.589 -179.999 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 42.5 t 62.89 143.91 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 10.0 109.318 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.526 ' CG ' ' O ' ' A' ' 48' ' ' HIS . 21.5 p-80 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 10.0 109.555 -179.967 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 83' ' ' ASP . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.991 -0.844 . . . . 10.0 110.991 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.418 ' C ' ' O ' ' A' ' 82' ' ' GLY . 2.2 p-10 38.61 36.7 0.15 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 0.786 . . . . 10.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.48 ' O ' ' CD1' ' A' ' 45' ' ' PHE . 10.0 tp -165.86 115.26 0.99 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.152 . . . . 10.0 109.235 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.448 ' O ' ' O ' ' A' ' 84' ' ' LEU . . . -41.15 166.69 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.474 1.109 . . . . 10.0 111.01 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.591 ' CG ' ' CE1' ' A' ' 45' ' ' PHE . 65.8 m-20 -83.08 153.6 24.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 0.757 . . . . 10.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 7.7 m -106.34 160.86 5.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 10.0 109.258 -179.966 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.674 ' OG1' HD23 ' A' ' 42' ' ' LEU . 52.3 m -134.27 147.04 50.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 10.0 110.434 179.945 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.793 ' HB3' ' HA ' ' A' ' 40' ' ' GLU . . . -84.28 158.13 21.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 10.0 109.28 -179.959 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.423 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 5.3 t70 -72.16 -96.37 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 10.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.508 ' CG ' ' O ' ' A' ' 91' ' ' LYS . 4.6 tttt -139.62 12.72 2.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 10.0 109.342 180.0 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -148.98 20.23 0.99 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 10.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.565 ' CA ' ' HB1' ' A' ' 89' ' ' ALA . . . 88.62 -27.84 6.85 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.539 1.149 . . . . 10.0 110.969 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.639 HG13 ' O ' ' A' ' 35' ' ' ILE . 37.0 t -55.21 109.25 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 0.768 . . . . 10.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.413 ' HB3' ' HB ' ' A' ' 35' ' ' ILE . . . -107.78 117.47 34.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 10.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.411 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 1.2 p-10 -102.05 155.75 17.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 10.0 109.265 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.408 ' O ' ' HA ' ' A' ' 32' ' ' TRP . 49.3 t -135.52 154.84 35.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 10.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 16.0 p -176.59 93.14 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 10.0 110.027 -179.982 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.628 HG22 ' H ' ' A' ' 100' ' ' GLU . 3.5 mt -140.47 175.35 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 10.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.628 ' H ' HG22 ' A' ' 99' ' ' ILE . 1.3 mt-10 -129.67 100.2 5.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 10.0 110.319 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -97.88 109.8 22.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 10.0 109.291 -179.982 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.404 ' HA ' ' HA ' ' A' ' 28' ' ' PRO . 95.5 p -104.79 56.05 0.7 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 10.0 109.985 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 51.5 t -132.33 -51.39 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 10.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.855 ' CG1' HG21 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -96.69 176.62 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.112 . . . . 10.0 109.313 179.975 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . 0.658 ' C ' HD23 ' A' ' 106' ' ' LEU . 53.9 p -170.18 174.98 5.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 10.0 109.991 -179.955 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.752 ' N ' HD23 ' A' ' 106' ' ' LEU . 0.1 OUTLIER -101.01 40.55 1.27 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 10.0 109.283 -179.996 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -87.53 -168.53 2.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 10.0 109.995 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -94.25 19.29 54.18 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.492 1.12 . . . . 10.0 110.977 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -136.74 -59.91 0.71 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 0.783 . . . . 10.0 109.314 179.961 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . 0.465 ' O ' HG23 ' A' ' 112' ' ' ILE . 33.6 m170 -90.09 15.52 10.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.14 . . . . 10.0 109.571 180.0 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -43.76 118.23 1.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 10.0 109.989 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.855 HG21 ' CG1' ' A' ' 104' ' ' ILE . 1.6 pp -101.31 -12.68 8.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 10.0 109.36 179.943 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.773 HD11 HD11 ' A' ' 151' ' ' ILE . 20.3 mt -48.58 131.95 6.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 10.0 109.269 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 110.41 8.37 25.11 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.488 1.118 . . . . 10.0 110.983 179.968 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 85.4 mtt180 -84.67 90.66 7.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 0.749 . . . . 10.0 110.314 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.578 HG23 ' HB2' ' A' ' 146' ' ' CYS . 55.3 m -61.69 100.25 0.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 10.0 110.422 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.529 ' CD2' HG21 ' A' ' 18' ' ' ILE . 0.5 OUTLIER -74.57 110.87 9.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 10.0 109.289 -179.992 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.702 HG23 ' O ' ' A' ' 144' ' ' LEU . 0.2 OUTLIER -137.32 107.7 5.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 10.0 109.289 179.988 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.972 HG21 HD11 ' A' ' 38' ' ' LEU . 33.3 m -72.25 172.62 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 10.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 30.8 m170 -111.73 143.14 43.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 10.0 109.608 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.43 -29.85 11.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 10.0 110.28 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.692 ' HB2' ' HB1' ' A' ' 140' ' ' ALA . 2.5 mttt -141.03 -172.01 3.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 10.0 109.294 -179.938 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.555 ' HB2' ' C ' ' A' ' 42' ' ' LEU . . . -99.7 -173.58 2.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 10.0 109.343 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.404 ' OD1' ' CA ' ' A' ' 126' ' ' LEU . 4.1 p30 -111.79 -5.13 14.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.157 . . . . 10.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 61.82 30.75 18.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 10.0 109.295 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.404 ' CA ' ' OD1' ' A' ' 124' ' ' ASP . 19.1 mt 52.78 21.61 2.0 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.502 1.126 . . . . 10.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 108.34 121.98 4.64 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.479 1.112 . . . . 10.0 111.021 -179.945 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 1.2 mttm -74.76 -48.23 26.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 0.797 . . . . 10.0 109.352 179.946 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 152.49 -45.28 0.6 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.475 1.109 . . . . 10.0 111.031 179.966 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -84.55 137.54 15.88 Favored Glycine 0 CA--C 1.529 0.953 0 N-CA-C 110.991 -0.844 . . . . 10.0 110.991 -179.982 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . 0.413 ' O ' ' CB ' ' A' ' 132' ' ' GLU . 0.5 OUTLIER -90.15 89.66 7.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 0.747 . . . . 10.0 109.318 -179.999 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.413 ' CB ' ' O ' ' A' ' 131' ' ' ASN . 0.8 OUTLIER 166.94 41.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 10.0 110.247 -179.978 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -177.84 -65.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 10.0 110.279 179.928 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 72.1 p -85.84 -22.43 27.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 10.0 110.036 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . 0.403 ' CG2' ' HA ' ' A' ' 131' ' ' ASN . 2.4 p -77.21 -14.52 59.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 10.0 110.375 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 18.9 mtmt -109.33 -32.98 6.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 10.0 109.317 -179.982 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . 0.444 ' OG1' ' N ' ' A' ' 138' ' ' GLY . 69.4 p -138.89 -94.32 0.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 10.0 110.381 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . 0.444 ' N ' ' OG1' ' A' ' 137' ' ' THR . . . -177.09 34.93 0.08 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.512 1.132 . . . . 10.0 111.001 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 139' ' ' ASN . . . . . 0.405 ' O ' ' HB2' ' A' ' 140' ' ' ALA . 44.9 t30 44.32 26.91 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 0.767 . . . . 10.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.692 ' HB1' ' HB2' ' A' ' 122' ' ' LYS . . . -179.47 40.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 10.0 109.273 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -93.81 89.1 1.26 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.522 1.139 . . . . 10.0 110.984 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . 0.624 ' HB3' HD12 ' A' ' 144' ' ' LEU . 5.2 t -89.0 -9.68 50.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 0.758 . . . . 10.0 109.976 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 142' ' ' SER . 0.0 OUTLIER 37.02 88.53 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 10.0 110.319 -179.999 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.799 ' N ' HD13 ' A' ' 144' ' ' LEU . 0.0 OUTLIER -117.57 161.56 19.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 10.0 109.316 179.995 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . 0.422 ' HB2' ' CG1' ' A' ' 14' ' ' VAL . . . 59.96 173.16 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 10.0 109.324 -179.939 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 146' ' ' CYS . . . . . 0.578 ' HB2' HG23 ' A' ' 116' ' ' THR . 26.6 p -156.23 67.85 0.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 10.0 108.285 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . 0.753 ' O ' ' HB1' ' A' ' 6' ' ' ALA . . . -67.56 61.94 0.29 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.498 1.124 . . . . 10.0 110.999 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.421 ' N ' ' O ' ' A' ' 146' ' ' CYS . 2.4 t -59.35 132.36 24.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.52 0.776 . . . . 10.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 149' ' ' ILE . . . . . 0.601 HG22 ' HB1' ' A' ' 4' ' ' ALA . 11.7 mm -75.45 106.34 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 10.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -119.39 137.59 12.7 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.536 1.147 . . . . 10.0 111.002 -179.962 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . 0.773 HD11 HD11 ' A' ' 113' ' ' ILE . 27.0 mm -58.56 148.54 6.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 0.771 . . . . 10.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . 0.487 ' HB3' ' CG2' ' A' ' 5' ' ' VAL . . . -147.32 168.94 20.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 10.0 109.332 -179.95 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 10.0 110.317 -179.992 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 83.9 m . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.404 -0.221 . . . . 10.0 110.404 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.439 ' HA ' ' O ' ' A' ' 20' ' ' PHE . 32.4 tttt -107.62 134.7 50.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 10.0 109.261 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.928 ' HB3' ' HB2' ' A' ' 20' ' ' PHE . . . -107.84 163.3 13.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 10.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.521 HG23 ' CB ' ' A' ' 152' ' ' ALA . 2.4 t -135.07 153.39 34.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 10.0 109.263 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.658 ' HB1' ' C ' ' A' ' 147' ' ' GLY . . . -155.66 89.0 1.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 10.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.472 ' O ' HG13 ' A' ' 7' ' ' VAL . 8.9 p -83.39 107.31 14.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 10.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.516 HD22 ' HA3' ' A' ' 147' ' ' GLY . 0.2 OUTLIER -54.83 137.64 44.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 10.0 109.313 179.988 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.3 tptm -173.14 128.87 0.46 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 10.0 109.32 179.955 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 179.08 -81.62 0.06 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.446 1.091 . . . . 10.0 111.021 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -44.38 -47.94 9.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 0.765 . . . . 10.0 109.325 179.967 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 134.32 -57.33 0.7 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.514 1.134 . . . . 10.0 111.016 -179.966 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -22.23 15.1 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.509 1.794 . . . . 10.0 110.999 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.5 ' O ' ' CG1' ' A' ' 14' ' ' VAL . 0.4 OUTLIER -88.32 116.04 29.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 10.0 109.326 -179.996 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.78 45.69 2.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 10.0 110.309 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.464 ' CA ' ' HA ' ' A' ' 35' ' ' ILE . . . -53.91 166.55 1.98 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.452 1.095 . . . . 10.0 111.017 179.959 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 31.7 mt -139.54 106.22 2.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.484 0.755 . . . . 10.0 109.346 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.778 ' C ' HD13 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -128.69 130.76 68.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 10.0 109.279 -179.972 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.562 ' N ' HD13 ' A' ' 18' ' ' ILE . 1.1 m-20 -123.59 170.9 9.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 10.0 109.274 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.928 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 21.5 m-85 -124.81 123.61 40.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.088 . . . . 10.0 110.953 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.401 ' O ' ' N ' ' A' ' 30' ' ' LYS . 1.3 tt0 -111.02 132.13 54.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 10.0 110.305 179.961 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.835 ' HG3' HG22 ' A' ' 29' ' ' VAL . 2.6 tt0 -155.21 78.73 1.03 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 10.0 110.323 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 54.4 mttt -81.08 64.94 6.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 10.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.491 ' O ' ' CB ' ' A' ' 25' ' ' SER . 0.3 OUTLIER -154.63 -48.15 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 10.0 110.288 -180.0 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 1.9 t 85.15 -10.18 0.81 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 10.0 110.021 -179.978 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 18.1 p-10 -157.37 26.17 0.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 10.0 109.26 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -126.17 -152.79 8.21 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.496 1.123 . . . . 10.0 110.997 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.464 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 18.2 Cg_endo -74.98 163.07 36.1 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.541 1.811 . . . . 10.0 110.997 -179.958 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.835 HG22 ' HG3' ' A' ' 22' ' ' GLN . 41.6 t -125.69 108.81 20.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 10.0 109.349 179.966 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.401 ' N ' ' O ' ' A' ' 21' ' ' GLU . 27.8 mttt -75.44 93.11 2.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 10.0 109.295 -179.95 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.575 HG22 ' CD2' ' A' ' 20' ' ' PHE . 16.6 t -90.01 128.82 41.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 10.0 109.326 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 8.0 p90 -157.02 154.67 29.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 10.0 107.981 179.964 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.413 ' O ' ' HA ' ' A' ' 96' ' ' ASP . . . -169.3 -169.62 32.85 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.498 1.124 . . . . 10.0 110.976 -179.972 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 43.7 m -157.48 123.02 4.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 0.782 . . . . 10.0 109.979 -179.971 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.71 ' CD1' ' CE2' ' A' ' 45' ' ' PHE . 0.1 OUTLIER -84.84 164.4 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 10.0 109.329 179.974 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.491 ' CG ' ' O ' ' A' ' 35' ' ' ILE . 22.0 mtmt -156.55 112.91 3.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 10.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.433 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 128.45 -37.0 2.34 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.477 1.111 . . . . 10.0 110.962 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.651 HD13 HG21 ' A' ' 35' ' ' ILE . 0.2 OUTLIER -53.85 -169.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 0.748 . . . . 10.0 109.271 -179.944 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.429 ' OG1' ' NE2' ' A' ' 43' ' ' HIS . 23.8 p -131.21 141.24 50.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.112 . . . . 10.0 110.352 -179.947 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.804 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 0.2 OUTLIER -44.38 123.8 3.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 10.0 110.301 179.991 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 127.54 162.21 11.04 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.512 1.133 . . . . 10.0 111.02 179.992 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.901 ' O ' ' HB2' ' A' ' 123' ' ' ALA . 1.0 OUTLIER -47.14 145.32 2.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 0.768 . . . . 10.0 109.303 -179.993 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.58 ' CD2' HD23 ' A' ' 38' ' ' LEU . 14.1 m-70 -155.16 159.34 40.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 10.0 109.604 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.81 151.42 25.44 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.496 1.122 . . . . 10.0 110.956 179.99 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.71 ' CE2' ' CD1' ' A' ' 35' ' ' ILE . 0.1 OUTLIER 175.9 79.29 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 0.764 . . . . 10.0 110.992 179.994 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.7 ' HA ' HD13 ' A' ' 117' ' ' LEU . 3.8 p80 -172.46 175.16 3.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 10.0 109.56 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.463 ' CG2' ' HD3' ' A' ' 115' ' ' ARG . 41.7 t -68.18 84.49 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.125 . . . . 10.0 109.309 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 1.3 m80 . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.54 1.15 . . . . 10.0 109.619 -179.998 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.002 -0.839 . . . . 10.0 111.002 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.453 ' OD1' ' N ' ' A' ' 85' ' ' GLY . 13.4 t0 -63.34 134.95 56.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 0.765 . . . . 10.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.429 ' O ' ' O ' ' A' ' 85' ' ' GLY . 0.2 OUTLIER -110.75 62.77 0.61 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 10.0 109.312 -179.998 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.453 ' N ' ' OD1' ' A' ' 83' ' ' ASP . . . 45.39 -174.06 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.503 1.127 . . . . 10.0 111.009 -179.948 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.413 ' OD1' ' CD2' ' A' ' 46' ' ' HIS . 6.3 m-20 -111.21 175.33 5.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 0.788 . . . . 10.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.6 HG12 ' H ' ' A' ' 88' ' ' THR . 2.7 t -127.31 174.04 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 10.0 109.245 -179.957 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.6 ' H ' HG12 ' A' ' 87' ' ' VAL . 90.3 m -123.9 149.58 45.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 10.0 110.394 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.804 ' HB3' ' HA ' ' A' ' 40' ' ' GLU . . . -84.88 167.6 15.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 10.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.439 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 12.6 t0 -80.29 -97.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 10.0 109.335 179.961 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.439 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 41.7 pttt -136.98 10.08 3.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 10.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -150.0 22.25 0.87 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 10.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.546 ' CA ' ' HB1' ' A' ' 89' ' ' ALA . . . 89.43 -30.78 5.47 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.538 1.148 . . . . 10.0 110.983 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.47 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 18.3 t -45.48 109.1 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.488 0.757 . . . . 10.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.578 ' HB3' ' HB ' ' A' ' 35' ' ' ILE . . . -111.04 116.61 31.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 10.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.413 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 3.4 p-10 -107.38 149.63 27.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 10.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 60.3 t -127.12 158.84 37.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 10.0 109.292 179.956 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 97.8 p -168.89 90.81 0.24 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 10.0 109.986 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 13.3 mt -126.39 147.54 31.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 10.0 109.343 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -129.77 89.29 2.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.118 . . . . 10.0 110.299 -179.951 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.464 ' O ' ' CB ' ' A' ' 28' ' ' PRO . 58.8 m-20 -95.75 160.55 14.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 10.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 44.2 p -119.64 -47.38 2.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 10.0 109.996 -179.997 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 40.2 t -44.91 -54.04 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 10.0 109.32 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.771 HD12 ' C ' ' A' ' 104' ' ' ILE . 1.7 pp -66.13 168.26 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 10.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . 0.541 ' C ' HD12 ' A' ' 106' ' ' LEU . 0.0 OUTLIER -177.8 -175.67 0.52 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 10.0 109.974 179.967 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.541 HD12 ' C ' ' A' ' 105' ' ' SER . 5.8 mp -112.6 27.17 9.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 10.0 109.285 -179.94 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.406 ' O ' ' N ' ' A' ' 109' ' ' ASP . 16.9 m -97.62 161.91 13.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 10.0 110.015 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -65.65 74.97 0.1 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.536 1.148 . . . . 10.0 110.952 -179.978 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 107' ' ' SER . 2.0 m-20 173.31 -56.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 0.768 . . . . 10.0 109.28 179.947 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 52.8 m80 -109.0 13.47 24.65 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.542 1.151 . . . . 10.0 109.586 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 22.9 p -43.79 116.05 0.91 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 10.0 109.988 -179.977 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.471 ' CD1' ' CE2' ' A' ' 20' ' ' PHE . 1.1 pt -88.25 -14.32 9.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 10.0 109.258 -179.961 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 4.8 mt -55.9 132.81 19.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 10.0 109.316 179.953 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 111.48 5.38 26.22 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.48 1.112 . . . . 10.0 110.967 179.968 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.721 ' HB2' HD13 ' A' ' 149' ' ' ILE . 8.2 mtt85 -84.71 117.48 23.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 0.778 . . . . 10.0 110.33 179.951 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 1.001 HG23 HG23 ' A' ' 148' ' ' VAL . 5.5 m -97.88 86.8 3.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 10.0 110.374 -179.98 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.7 HD13 ' HA ' ' A' ' 46' ' ' HIS . 4.5 mm? -66.48 77.98 0.1 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 10.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.589 HG13 ' O ' ' A' ' 144' ' ' LEU . 91.7 t -81.49 142.35 13.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 10.0 109.335 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.604 HG22 ' HB3' ' A' ' 145' ' ' ALA . 33.1 m -107.58 156.59 8.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 10.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 36.9 m170 -104.55 147.51 27.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 10.0 109.548 -179.96 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.64 -26.42 63.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 10.0 110.314 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.514 ' C ' ' HB1' ' A' ' 140' ' ' ALA . 2.7 mmtt -142.28 168.44 19.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 10.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.901 ' HB2' ' O ' ' A' ' 42' ' ' LEU . . . -73.3 130.61 40.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 10.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 21.0 p-10 -60.19 -15.86 27.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 10.0 109.317 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 61.62 22.64 13.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 10.0 109.327 -179.976 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.3 mt 58.58 16.93 4.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.158 . . . . 10.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 96.09 128.36 5.66 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.554 1.159 . . . . 10.0 111.036 -179.949 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.62 -29.93 14.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 0.792 . . . . 10.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 130' ' ' GLY . . . 119.95 2.48 12.59 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.512 1.133 . . . . 10.0 111.003 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 129' ' ' GLY . . . -57.74 -156.42 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.014 -0.834 . . . . 10.0 111.014 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . 0.427 ' O ' ' CB ' ' A' ' 132' ' ' GLU . 72.9 m-80 -152.59 127.52 9.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 0.758 . . . . 10.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.427 ' CB ' ' O ' ' A' ' 131' ' ' ASN . 4.3 tt0 80.71 -2.58 1.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 10.0 110.321 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -120.07 -52.71 2.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 10.0 110.317 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 5.9 p -80.78 -35.23 33.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.143 . . . . 10.0 110.029 179.924 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -61.12 -13.9 20.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 10.0 110.38 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 33.9 mttt -114.64 -52.44 2.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 10.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 37.4 p -123.34 -96.04 0.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 10.0 110.397 179.999 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . 0.408 ' C ' ' N ' ' A' ' 140' ' ' ALA . . . -171.64 35.95 0.16 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.549 1.156 . . . . 10.0 111.039 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 42.41 30.6 0.22 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 0.743 . . . . 10.0 109.334 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.514 ' HB1' ' C ' ' A' ' 122' ' ' LYS . . . -92.81 -60.94 1.69 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.488 1.118 . . . . 10.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -157.92 -108.69 0.27 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.517 1.136 . . . . 10.0 111.038 179.976 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.88 -160.41 1.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 0.774 . . . . 10.0 109.96 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . 0.57 ' HB3' HG11 ' A' ' 118' ' ' VAL . 0.3 OUTLIER -93.94 125.01 38.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 10.0 110.273 -179.964 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.589 ' O ' HG13 ' A' ' 118' ' ' VAL . 28.7 mt -136.51 153.68 50.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 10.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . 0.604 ' HB3' HG22 ' A' ' 119' ' ' VAL . . . 72.93 160.95 0.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 10.0 109.257 179.959 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 7.2 p -154.37 63.76 0.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 10.0 108.272 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . 0.658 ' C ' ' HB1' ' A' ' 6' ' ' ALA . . . -75.78 61.49 2.89 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.512 1.132 . . . . 10.0 111.003 179.963 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 1.001 HG23 HG23 ' A' ' 116' ' ' THR . 2.3 t -70.15 138.45 22.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.452 0.737 . . . . 10.0 109.288 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 149' ' ' ILE . . . . . 0.823 HG23 ' HB1' ' A' ' 4' ' ' ALA . 4.4 mp -71.89 123.41 26.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 10.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -139.71 115.49 1.1 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.459 1.099 . . . . 10.0 111.031 179.962 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 21.4 mm -41.52 144.12 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.496 0.762 . . . . 10.0 109.309 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . 0.521 ' CB ' HG23 ' A' ' 5' ' ' VAL . . . -143.98 175.04 10.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 10.0 109.323 -179.978 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 3.8 pm0 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 10.0 110.326 179.945 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.435 HG22 HD12 ' A' ' 151' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.379 -0.23 . . . . 10.0 110.379 . . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.83 105.16 16.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.091 . . . . 10.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 1.01 ' HB1' HG23 ' A' ' 149' ' ' ILE . . . -84.44 159.1 20.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 10.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.518 ' CG2' ' CB ' ' A' ' 152' ' ' ALA . 1.5 t -131.37 144.04 38.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 10.0 109.266 -179.959 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.929 ' HB3' ' CG1' ' A' ' 18' ' ' ILE . . . -151.1 88.76 1.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 10.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.677 HG23 ' O ' ' A' ' 7' ' ' VAL . 8.4 m -82.55 99.11 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 10.0 109.294 179.951 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.704 HD13 ' H ' ' A' ' 147' ' ' GLY . 3.4 mm? -48.87 140.83 8.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 10.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 26.3 tttt -176.44 140.8 0.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 10.0 109.293 -179.975 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 172.4 -71.01 0.11 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.458 1.099 . . . . 10.0 111.02 179.956 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -63.02 -59.98 4.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 0.752 . . . . 10.0 109.28 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.409 ' N ' ' CD ' ' A' ' 13' ' ' PRO . . . 155.98 -55.88 0.4 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.497 1.123 . . . . 10.0 111.03 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.412 ' O ' ' O ' ' A' ' 36' ' ' LYS . 18.4 Cg_endo -74.99 -31.65 6.05 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.521 1.801 . . . . 10.0 111.036 179.97 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.818 HG11 ' HB2' ' A' ' 145' ' ' ALA . 2.3 t -76.61 94.95 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 10.0 109.331 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.425 ' HA ' ' O ' ' A' ' 8' ' ' LEU . 0.3 OUTLIER -122.53 36.84 4.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 10.0 110.338 179.999 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.476 ' CA ' ' HB2' ' A' ' 8' ' ' LEU . . . -51.64 166.77 0.8 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.497 1.123 . . . . 10.0 110.995 -179.973 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.431 HG13 ' C ' ' A' ' 16' ' ' GLY . 60.6 mt -143.03 111.48 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 0.765 . . . . 10.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.938 HD11 HD11 ' A' ' 149' ' ' ILE . 0.5 OUTLIER -105.89 161.1 5.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 10.0 109.336 179.972 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.853 ' N ' HD12 ' A' ' 18' ' ' ILE . 0.1 OUTLIER -152.21 120.6 6.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 10.0 109.332 179.996 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.938 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 2.7 m-30 -103.94 106.61 17.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 10.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -96.71 150.12 21.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 10.0 110.32 179.983 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -137.37 65.15 1.5 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 10.0 110.305 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.6 mttt -76.35 56.62 1.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 10.0 109.27 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -155.46 172.16 18.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 10.0 110.32 179.958 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.7 m -71.11 56.5 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 10.0 110.001 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 63.55 30.59 15.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 10.0 109.292 179.979 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -88.47 -113.57 1.2 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.497 1.123 . . . . 10.0 111.028 179.965 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.453 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 18.1 Cg_endo -75.04 166.15 29.76 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.547 1.814 . . . . 10.0 110.951 -179.97 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.685 HG21 ' CD1' ' A' ' 106' ' ' LEU . 21.2 t -128.96 107.55 15.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 10.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.26 96.08 0.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 10.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.852 HG13 ' CE1' ' A' ' 20' ' ' PHE . 32.5 t -84.81 134.24 27.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 10.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -168.03 162.28 13.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 10.0 107.998 179.962 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.415 ' O ' ' HA ' ' A' ' 96' ' ' ASP . . . 175.62 -170.57 43.59 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.513 1.133 . . . . 10.0 110.993 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.2 t -155.62 118.75 4.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 0.741 . . . . 10.0 110.008 179.969 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.688 HG21 HD13 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -84.07 165.43 2.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.121 . . . . 10.0 109.301 179.998 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.488 ' N ' HG23 ' A' ' 35' ' ' ILE . 35.0 mttt -155.49 115.07 3.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 10.0 109.33 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.455 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 133.44 -43.02 1.31 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.447 1.092 . . . . 10.0 111.024 -179.983 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.688 HD13 HG21 ' A' ' 35' ' ' ILE . 0.2 OUTLIER -52.76 -170.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 0.767 . . . . 10.0 109.283 -179.982 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.435 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 43.4 p -126.34 149.86 48.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 10.0 110.413 -179.954 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.8 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 0.2 OUTLIER -54.65 124.86 17.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.15 . . . . 10.0 110.283 -179.998 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 131.13 -179.51 16.95 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.519 1.137 . . . . 10.0 111.04 -179.988 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.822 HD23 ' ND2' ' A' ' 86' ' ' ASN . 4.6 mp -64.04 140.09 58.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 0.771 . . . . 10.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.435 ' CD2' ' O ' ' A' ' 39' ' ' THR . 75.4 m-70 -152.28 173.99 14.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 10.0 109.599 179.975 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.77 158.08 23.21 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.474 1.109 . . . . 10.0 110.993 179.978 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.561 ' CE1' ' HB3' ' A' ' 117' ' ' LEU . 73.1 t80 178.12 87.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 0.791 . . . . 10.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.487 ' HA ' HD13 ' A' ' 117' ' ' LEU . 0.0 OUTLIER -154.51 166.4 33.42 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.507 1.129 . . . . 10.0 109.606 179.983 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.571 HG13 ' H ' ' A' ' 116' ' ' THR . 41.9 t -76.0 169.58 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.103 . . . . 10.0 109.316 -179.957 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.542 ' N ' HG12 ' A' ' 47' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 10.0 109.585 -179.967 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.417 ' O ' ' CB ' ' A' ' 83' ' ' ASP . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 111.019 -0.832 . . . . 10.0 111.019 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.417 ' CB ' ' O ' ' A' ' 82' ' ' GLY . 0.2 OUTLIER 75.96 165.93 0.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 0.776 . . . . 10.0 109.287 179.976 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.866 HD13 HG12 ' A' ' 87' ' ' VAL . 0.1 OUTLIER 70.11 105.52 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 10.0 109.256 179.98 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -41.72 -73.08 0.23 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.526 1.141 . . . . 10.0 110.978 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.822 ' ND2' HD23 ' A' ' 42' ' ' LEU . 1.1 t30 -145.7 151.49 38.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 0.749 . . . . 10.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.866 HG12 HD13 ' A' ' 84' ' ' LEU . 3.1 m -108.78 162.75 6.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 10.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 6.0 m -124.97 141.97 51.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 10.0 110.432 179.947 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.8 ' HB3' ' HA ' ' A' ' 40' ' ' GLU . . . -85.32 172.61 10.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 10.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.459 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 6.3 t0 -82.35 -95.7 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 10.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.459 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 58.6 pttt -139.04 11.67 2.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 10.0 109.331 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -154.66 24.18 0.46 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 10.0 109.354 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.517 ' CA ' ' HB1' ' A' ' 89' ' ' ALA . . . 89.71 -32.0 5.0 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.46 1.1 . . . . 10.0 110.993 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.487 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 20.4 t -40.73 98.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 0.765 . . . . 10.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 93' ' ' GLY . . . -106.31 116.75 32.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 10.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.415 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 4.4 p-10 -108.93 151.82 25.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 10.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.415 HG12 ' N ' ' A' ' 98' ' ' SER . 44.1 t -120.3 161.94 19.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 10.0 109.29 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.415 ' N ' HG12 ' A' ' 97' ' ' VAL . 18.5 p -170.81 86.58 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 10.0 109.981 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 28.1 mt -134.29 153.87 36.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 10.0 109.275 -179.972 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -128.33 91.45 3.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 10.0 110.32 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.453 ' O ' ' CB ' ' A' ' 28' ' ' PRO . 0.3 OUTLIER -91.88 147.87 22.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 10.0 109.346 179.996 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 10.8 p -125.37 8.76 7.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 10.0 109.977 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 5.5 t -89.45 -53.14 9.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.158 . . . . 10.0 109.344 179.957 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.786 HD12 ' C ' ' A' ' 104' ' ' ILE . 1.7 pp -70.06 178.3 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 10.0 109.249 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.87 161.19 36.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 10.0 110.024 179.977 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.685 ' CD1' HG21 ' A' ' 29' ' ' VAL . 7.4 mp -83.59 -39.38 20.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 10.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -149.69 113.1 4.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 10.0 109.973 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 173.53 -73.7 0.09 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.446 1.091 . . . . 10.0 111.038 -179.995 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -142.28 -47.35 0.34 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 0.752 . . . . 10.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 26.6 m80 -99.5 47.81 0.95 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 10.0 109.632 179.977 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 92.2 p -48.18 117.5 1.97 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 10.0 110.026 -179.956 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.461 ' CG2' ' HB ' ' A' ' 104' ' ' ILE . 2.2 pp -92.76 -26.28 4.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 10.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.654 HD11 HD23 ' A' ' 106' ' ' LEU . 37.5 mm -40.0 104.93 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 10.0 109.25 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 121.91 36.26 0.73 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.483 1.115 . . . . 10.0 110.972 179.949 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.565 HH11 HG21 ' A' ' 47' ' ' VAL . 0.1 OUTLIER -84.58 105.52 15.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 0.747 . . . . 10.0 110.33 179.984 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.739 ' O ' HG23 ' A' ' 118' ' ' VAL . 11.1 m -90.13 64.9 6.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 10.0 110.348 -179.947 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.561 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 3.9 mm? -51.42 107.14 0.17 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.464 1.103 . . . . 10.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 1.013 HG22 ' O ' ' A' ' 145' ' ' ALA . 70.0 t -111.62 134.68 53.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 10.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 11.4 m -93.69 135.35 28.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 10.0 109.309 179.983 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.557 ' CE1' ' HA2' ' A' ' 141' ' ' GLY . 0.0 OUTLIER -84.98 146.84 27.01 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.134 . . . . 10.0 109.64 179.982 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.533 ' CG ' ' CB ' ' A' ' 142' ' ' SER . 0.1 OUTLIER -33.79 -50.11 0.35 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.098 . . . . 10.0 110.317 -179.983 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.504 ' H ' ' HB1' ' A' ' 140' ' ' ALA . 0.3 OUTLIER -135.88 -162.23 1.25 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 10.0 109.272 179.946 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.607 ' HB2' ' C ' ' A' ' 42' ' ' LEU . . . -84.38 -175.25 5.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 10.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -136.62 79.07 1.74 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 10.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.0 -27.92 68.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 10.0 109.282 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.861 HD23 ' HA ' ' A' ' 135' ' ' THR . 1.9 mt 61.71 14.88 6.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 10.0 109.307 -179.966 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . 0.429 ' O ' ' N ' ' A' ' 130' ' ' GLY . . . -125.6 -76.13 0.26 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.44 1.088 . . . . 10.0 111.014 179.969 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 40.75 35.03 0.29 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 0.768 . . . . 10.0 109.277 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 52.37 46.19 57.89 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.504 1.127 . . . . 10.0 110.99 179.96 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 127' ' ' GLY . . . -174.92 175.78 47.05 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.029 -0.829 . . . . 10.0 111.029 -179.983 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . 0.513 ' O ' ' CB ' ' A' ' 132' ' ' GLU . 2.4 m-80 -151.36 105.02 3.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 0.801 . . . . 10.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.513 ' CB ' ' O ' ' A' ' 131' ' ' ASN . 2.4 mt-10 160.05 -25.51 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 10.0 110.322 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.31 -69.79 0.84 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 10.0 110.264 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . 0.512 ' HA ' ' CA ' ' A' ' 138' ' ' GLY . 0.0 OUTLIER -65.59 -40.78 93.08 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.491 1.119 . . . . 10.0 110.012 -179.983 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . 0.861 ' HA ' HD23 ' A' ' 126' ' ' LEU . 0.7 OUTLIER -69.23 -4.72 18.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 10.0 110.375 179.987 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -105.17 -51.29 3.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 10.0 109.316 -179.99 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 50.3 p -122.83 -34.37 3.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.137 . . . . 10.0 110.395 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . 0.512 ' CA ' ' HA ' ' A' ' 134' ' ' SER . . . 113.9 17.55 7.32 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.452 1.095 . . . . 10.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 139' ' ' ASN . . . . . 0.442 ' O ' ' ND2' ' A' ' 139' ' ' ASN . 13.3 t30 59.72 71.12 0.59 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 0.761 . . . . 10.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.504 ' HB1' ' H ' ' A' ' 122' ' ' LYS . . . -172.43 -68.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 10.0 109.315 -179.962 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . 0.557 ' HA2' ' CE1' ' A' ' 120' ' ' HIS . . . 49.83 105.24 0.01 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.527 1.142 . . . . 10.0 111.0 179.983 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . 0.575 ' O ' HD23 ' A' ' 144' ' ' LEU . 0.4 OUTLIER 178.91 94.56 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.442 0.731 . . . . 10.0 109.979 179.994 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . 1.009 ' HG2' HG11 ' A' ' 118' ' ' VAL . 1.0 OUTLIER -77.46 111.05 12.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 10.0 110.308 179.975 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.688 ' O ' HG13 ' A' ' 118' ' ' VAL . 0.4 OUTLIER -142.88 146.44 34.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 10.0 109.315 179.979 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . 1.013 ' O ' HG22 ' A' ' 118' ' ' VAL . . . 79.49 143.38 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 10.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 146' ' ' CYS . . . . . 0.546 ' HB2' HG23 ' A' ' 116' ' ' THR . 6.5 p -155.46 58.26 0.63 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 10.0 108.291 179.975 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . 0.704 ' H ' HD13 ' A' ' 8' ' ' LEU . . . -36.2 -52.84 1.28 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.462 1.101 . . . . 10.0 111.023 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.581 HG23 HG23 ' A' ' 116' ' ' THR . 4.1 t 63.94 127.86 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.499 0.764 . . . . 10.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 149' ' ' ILE . . . . . 1.01 HG23 ' HB1' ' A' ' 4' ' ' ALA . 21.5 mm -85.83 128.01 39.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 10.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -140.82 113.42 0.86 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.501 1.125 . . . . 10.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . 0.539 HD11 HD23 ' A' ' 106' ' ' LEU . 16.2 mm -41.18 139.61 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.522 0.778 . . . . 10.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . 0.518 ' CB ' ' CG2' ' A' ' 5' ' ' VAL . . . -137.03 165.73 25.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 10.0 109.339 179.955 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 10.0 110.268 -179.959 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.979 HG22 HD12 ' A' ' 151' ' ' ILE . 1.8 m . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.4 -0.222 . . . . 10.0 110.4 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.15 139.98 30.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 10.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.998 ' HB3' ' HB2' ' A' ' 20' ' ' PHE . . . -122.63 162.81 21.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.137 . . . . 10.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.463 HG23 ' HB2' ' A' ' 152' ' ' ALA . 2.4 t -131.46 151.67 35.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 10.0 109.301 179.954 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.628 ' HB3' HG23 ' A' ' 18' ' ' ILE . . . -155.9 88.8 1.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 10.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 7' ' ' VAL . 10.1 m -88.79 112.14 23.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 10.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.676 HD23 ' N ' ' A' ' 8' ' ' LEU . 0.3 OUTLIER -62.79 117.83 6.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 10.0 109.313 179.99 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -150.32 112.19 4.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 10.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.455 ' O ' ' C ' ' A' ' 11' ' ' ASP . . . -167.21 -103.67 0.17 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.521 1.138 . . . . 10.0 110.986 179.947 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.717 ' OD2' HD22 ' A' ' 144' ' ' LEU . 39.6 t0 -35.86 -46.72 0.47 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 0.779 . . . . 10.0 109.34 -179.97 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 134.69 -63.03 0.61 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.499 1.124 . . . . 10.0 111.022 179.962 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.478 ' C ' HG23 ' A' ' 14' ' ' VAL . 18.2 Cg_endo -75.02 46.02 1.46 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.458 1.767 . . . . 10.0 111.004 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.478 HG23 ' C ' ' A' ' 13' ' ' PRO . 50.5 t -155.11 59.72 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 10.0 109.329 -180.0 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -90.29 53.28 2.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 10.0 110.312 -179.985 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.474 ' CA ' ' HA ' ' A' ' 35' ' ' ILE . . . -74.55 151.66 43.48 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.471 1.107 . . . . 10.0 111.015 179.979 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 91.6 mt -126.9 96.91 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.479 0.753 . . . . 10.0 109.324 -179.986 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.628 HG23 ' HB3' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -115.24 150.24 17.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 10.0 109.312 -179.999 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.428 ' OD1' ' C ' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -140.87 169.57 17.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 10.0 109.316 179.996 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.998 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 6.5 m-85 -123.19 143.08 50.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.095 . . . . 10.0 111.021 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -131.45 139.68 49.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 10.0 110.299 -179.973 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -151.45 88.48 1.43 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.561 1.163 . . . . 10.0 110.311 179.988 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.77 42.57 1.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 10.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.402 ' HB3' ' N ' ' A' ' 27' ' ' GLY . 7.6 mm-40 -155.51 142.41 19.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.562 1.164 . . . . 10.0 110.299 -179.976 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.86 -2.34 58.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 10.0 109.984 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -163.63 35.08 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 10.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.402 ' N ' ' HB3' ' A' ' 24' ' ' GLU . . . -119.27 -167.86 13.84 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.461 1.101 . . . . 10.0 111.004 179.963 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.479 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 18.3 Cg_endo -75.02 176.59 9.71 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.494 1.786 . . . . 10.0 111.003 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 49.1 t -125.02 103.56 12.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 10.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -69.63 96.0 0.91 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 10.0 109.268 -179.97 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 98.3 t -97.53 142.43 14.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 10.0 109.298 179.975 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 7.1 p90 -161.03 149.49 16.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 10.0 108.023 179.989 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.442 ' CA ' ' HA ' ' A' ' 18' ' ' ILE . . . -163.46 -169.64 27.22 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.546 1.153 . . . . 10.0 110.963 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.9 m -157.78 121.47 4.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 0.775 . . . . 10.0 110.034 -179.995 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.643 ' HB ' ' HB3' ' A' ' 95' ' ' ALA . 0.4 OUTLIER -84.79 167.42 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 10.0 109.29 -179.964 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.51 ' N ' HG23 ' A' ' 35' ' ' ILE . 27.8 mttt -155.78 114.61 3.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 10.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.439 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 132.35 -43.94 1.24 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.498 1.124 . . . . 10.0 111.053 -179.966 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 1.111 HD22 ' CE1' ' A' ' 43' ' ' HIS . 0.3 OUTLIER -55.54 -164.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 0.753 . . . . 10.0 109.333 179.988 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.9 p -142.7 153.06 43.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 10.0 110.417 179.985 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.895 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 0.6 OUTLIER -51.94 122.33 8.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 10.0 110.292 179.998 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 146.33 158.34 7.72 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.455 1.097 . . . . 10.0 111.012 179.97 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.525 ' C ' ' HB2' ' A' ' 123' ' ' ALA . 0.8 OUTLIER -62.07 137.88 58.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 0.764 . . . . 10.0 109.278 -179.94 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 1.111 ' CE1' HD22 ' A' ' 38' ' ' LEU . 23.3 m170 -123.09 162.54 22.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 10.0 109.654 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.578 ' HA3' ' CD2' ' A' ' 120' ' ' HIS . . . -56.01 -169.45 0.08 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.525 1.141 . . . . 10.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.568 ' CZ ' ' HB2' ' A' ' 124' ' ' ASP . 14.1 m-85 -104.23 154.13 20.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 0.753 . . . . 10.0 110.962 -179.974 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.549 ' CG ' HD13 ' A' ' 117' ' ' LEU . 5.0 m-70 -72.99 173.85 8.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 10.0 109.595 179.965 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.431 ' O ' ' O ' ' A' ' 46' ' ' HIS . 5.6 t 59.04 117.61 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 10.0 109.296 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.458 ' ND1' ' O ' ' A' ' 48' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 10.0 109.599 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.026 -0.829 . . . . 10.0 111.026 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -39.89 -57.43 1.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 0.755 . . . . 10.0 109.254 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 80.55 -73.07 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 10.0 109.336 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 168.75 167.42 29.36 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.476 1.11 . . . . 10.0 110.993 179.955 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 11.3 p30 -83.64 137.83 33.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 0.745 . . . . 10.0 109.333 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.523 HG11 ' NE2' ' A' ' 46' ' ' HIS . 16.0 m -94.2 170.45 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 10.0 109.324 -179.976 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 6.4 m -143.0 151.13 40.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.113 . . . . 10.0 110.421 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.895 ' HB3' ' HA ' ' A' ' 40' ' ' GLU . . . -84.28 164.1 19.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.157 . . . . 10.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.453 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 12.5 t0 -72.8 -96.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.433 1.083 . . . . 10.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.453 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 12.9 ptpt -137.13 10.01 3.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 10.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -158.34 25.7 0.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 10.0 109.344 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.599 ' CA ' ' HB1' ' A' ' 89' ' ' ALA . . . 96.77 -41.71 2.32 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.501 1.126 . . . . 10.0 111.042 -179.959 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.463 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 22.8 t -39.3 96.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.501 0.765 . . . . 10.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.643 ' HB3' ' HB ' ' A' ' 35' ' ' ILE . . . -95.27 113.7 25.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 10.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.423 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 1.4 t70 -100.33 145.89 27.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 10.0 109.266 -179.961 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.532 HG13 HD12 ' A' ' 99' ' ' ILE . 54.1 t -117.55 156.02 19.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 10.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 70.5 p -177.56 84.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 10.0 109.983 179.992 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.532 HD12 HG13 ' A' ' 97' ' ' VAL . 1.7 mp -129.96 147.93 33.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 10.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -121.28 91.08 3.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 10.0 110.304 180.0 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.479 ' O ' ' CB ' ' A' ' 28' ' ' PRO . 0.4 OUTLIER -92.44 133.33 36.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 10.0 109.301 -179.964 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.422 ' CA ' ' HB3' ' A' ' 28' ' ' PRO . 98.1 p -115.81 41.19 2.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 10.0 110.018 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 50.6 t -126.73 -58.65 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 10.0 109.266 -179.91 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.73 HD12 ' C ' ' A' ' 104' ' ' ILE . 1.7 pp -52.56 176.38 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 10.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -145.31 145.79 31.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 10.0 110.028 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -52.38 -57.5 9.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 10.0 109.284 -179.972 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.42 84.47 0.98 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.125 . . . . 10.0 110.07 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.607 ' O ' ' CB ' ' A' ' 109' ' ' ASP . . . 147.53 113.98 0.78 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.513 1.133 . . . . 10.0 110.997 -179.966 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.607 ' CB ' ' O ' ' A' ' 108' ' ' GLY . 9.6 t70 90.58 -44.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 0.768 . . . . 10.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . 0.458 ' CB ' ' HA ' ' A' ' 104' ' ' ILE . 75.8 m80 -155.77 52.42 0.57 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 10.0 109.604 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 61.6 p -46.78 115.66 1.12 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.43 1.081 . . . . 10.0 110.049 179.948 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.579 HD12 ' CD2' ' A' ' 20' ' ' PHE . 16.9 pt -84.19 -25.63 7.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 10.0 109.27 -179.963 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 48.2 mm -46.55 108.56 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 10.0 109.299 -179.963 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 113.72 16.29 8.15 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.539 1.149 . . . . 10.0 110.974 179.965 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.509 ' O ' HD22 ' A' ' 117' ' ' LEU . 4.4 mmt85 -97.32 66.23 2.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 0.744 . . . . 10.0 110.325 179.971 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.898 HG23 HG13 ' A' ' 118' ' ' VAL . 11.2 t -51.99 144.9 10.99 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.111 . . . . 10.0 110.425 -179.976 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.567 HD23 HD11 ' A' ' 149' ' ' ILE . 4.5 mm? -106.8 76.75 1.13 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 10.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.898 HG13 HG23 ' A' ' 116' ' ' THR . 1.2 m -92.91 175.11 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 10.0 109.344 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.616 HG11 ' CD1' ' A' ' 38' ' ' LEU . 34.8 m -123.24 121.5 63.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 10.0 109.258 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.595 ' CE1' ' O ' ' A' ' 121' ' ' GLU . 0.0 OUTLIER -84.12 113.39 21.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 10.0 109.609 179.964 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.595 ' O ' ' CE1' ' A' ' 120' ' ' HIS . 0.3 OUTLIER -35.95 121.6 0.66 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 10.0 110.324 179.957 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 120' ' ' HIS . 0.0 OUTLIER 72.44 152.11 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.554 1.159 . . . . 10.0 109.335 -179.96 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.525 ' HB2' ' C ' ' A' ' 42' ' ' LEU . . . -91.23 -178.24 5.1 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 10.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.568 ' HB2' ' CZ ' ' A' ' 45' ' ' PHE . 14.1 t0 -88.53 84.95 6.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 10.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . 0.461 ' CB ' ' CG ' ' A' ' 128' ' ' LYS . 0.3 OUTLIER -56.1 -20.43 17.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 10.0 109.252 -179.969 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 8.2 mt 59.13 20.5 8.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 10.0 109.283 179.989 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 161.03 94.55 0.1 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.545 1.153 . . . . 10.0 110.965 179.961 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.461 ' CG ' ' CB ' ' A' ' 125' ' ' ASP . 3.3 mtpm? -118.78 -75.66 0.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 0.75 . . . . 10.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -94.41 -31.86 7.69 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.504 1.127 . . . . 10.0 111.0 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -173.11 -131.03 1.32 Allowed Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.983 -0.847 . . . . 10.0 110.983 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . 0.489 ' O ' ' CG ' ' A' ' 132' ' ' GLU . 7.2 m-80 -139.42 101.59 4.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 0.744 . . . . 10.0 109.252 -179.97 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.489 ' CG ' ' O ' ' A' ' 131' ' ' ASN . 3.9 mt-10 164.5 -29.09 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 10.0 110.326 179.986 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . 0.496 ' CB ' ' OD1' ' A' ' 139' ' ' ASN . 0.1 OUTLIER -95.01 -53.77 3.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 10.0 110.292 179.968 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 26.1 p -81.74 -20.65 38.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 10.0 109.976 -179.992 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . 0.424 ' OG1' ' CA ' ' A' ' 132' ' ' GLU . 1.8 p -58.09 -25.77 61.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 10.0 110.37 -179.942 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -109.94 -51.13 2.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 10.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 24.4 p -122.89 -123.07 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 10.0 110.394 179.971 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -140.98 42.1 1.21 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.498 1.124 . . . . 10.0 110.999 -179.993 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 139' ' ' ASN . . . . . 0.496 ' OD1' ' CB ' ' A' ' 133' ' ' GLN . 0.4 OUTLIER 40.87 37.81 0.57 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 0.745 . . . . 10.0 109.331 179.994 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.55 ' HB3' ' HE1' ' A' ' 120' ' ' HIS . . . -141.42 -56.26 0.48 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 10.0 109.294 179.971 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . 0.448 ' H ' ' CE1' ' A' ' 120' ' ' HIS . . . 36.01 65.46 0.49 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.534 1.146 . . . . 10.0 111.01 -179.963 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . 0.463 ' CB ' ' HB2' ' A' ' 121' ' ' GLU . 0.1 OUTLIER -126.96 86.56 2.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 0.764 . . . . 10.0 110.003 179.987 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . 0.458 ' O ' HD23 ' A' ' 144' ' ' LEU . 0.1 OUTLIER -52.11 177.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 10.0 110.312 179.979 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.717 HD22 ' OD2' ' A' ' 11' ' ' ASP . 87.6 mt -150.5 -72.94 0.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 10.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . 0.418 ' O ' ' HB ' ' A' ' 118' ' ' VAL . . . -106.7 175.71 5.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 10.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 146' ' ' CYS . . . . . 0.811 ' HA ' HG12 ' A' ' 118' ' ' VAL . 30.2 p -156.1 72.61 0.77 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 10.0 108.305 179.963 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -48.23 -53.36 15.63 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.471 1.107 . . . . 10.0 110.977 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.655 HG22 ' HB ' ' A' ' 116' ' ' THR . 37.5 t 65.32 127.83 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.529 0.782 . . . . 10.0 109.312 -179.962 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 149' ' ' ILE . . . . . 0.622 HD12 ' CE1' ' A' ' 20' ' ' PHE . 5.3 mm -68.55 144.1 14.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 10.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -155.29 108.64 0.37 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.474 1.109 . . . . 10.0 110.993 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . 0.979 HD12 HG22 ' A' ' 2' ' ' THR . 14.6 mm -44.89 148.15 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.455 0.738 . . . . 10.0 109.233 -179.959 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . 0.463 ' HB2' HG23 ' A' ' 5' ' ' VAL . . . -134.55 169.44 17.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 10.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 10.0 110.256 179.996 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.5 m . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.419 -0.215 . . . . 10.0 110.419 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.433 ' CG ' ' O ' ' A' ' 20' ' ' PHE . 8.1 ttmt -121.45 130.7 53.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 10.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.941 ' HB3' ' HB2' ' A' ' 20' ' ' PHE . . . -100.52 159.23 15.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.092 . . . . 10.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.423 HG23 ' HB3' ' A' ' 152' ' ' ALA . 2.0 t -140.75 154.03 21.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 10.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.687 ' HB1' ' O ' ' A' ' 147' ' ' GLY . . . -152.7 91.48 1.56 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 10.0 109.322 -179.981 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.492 HG23 ' CD1' ' A' ' 17' ' ' ILE . 4.5 p -81.61 91.18 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 10.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.604 HD22 ' HA3' ' A' ' 147' ' ' GLY . 0.5 OUTLIER -39.07 126.37 1.62 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 10.0 109.296 179.991 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 10' ' ' GLY . 0.9 OUTLIER -78.98 -37.34 39.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 10.0 109.293 179.992 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.478 ' CA ' ' HB ' ' A' ' 14' ' ' VAL . . . 59.55 123.13 0.01 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.526 1.141 . . . . 10.0 110.993 179.975 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 10' ' ' GLY . 16.3 t0 -38.02 -31.38 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 0.783 . . . . 10.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -170.06 -63.71 0.04 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.493 1.121 . . . . 10.0 111.022 179.953 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.427 ' O ' ' C ' ' A' ' 14' ' ' VAL . 18.5 Cg_endo -74.94 -58.98 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.52 1.8 . . . . 10.0 111.021 179.97 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.478 ' HB ' ' CA ' ' A' ' 10' ' ' GLY . 36.4 t -37.15 142.27 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.117 . . . . 10.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -169.0 42.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 10.0 110.302 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.473 ' N ' ' HB2' ' A' ' 8' ' ' LEU . . . -59.5 169.48 6.61 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.475 1.109 . . . . 10.0 110.984 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.492 ' CD1' HG23 ' A' ' 7' ' ' VAL . 21.4 mm -141.63 98.29 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.432 0.725 . . . . 10.0 109.3 -179.957 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.828 HD12 ' H ' ' A' ' 19' ' ' ASN . 0.4 OUTLIER -114.15 138.84 42.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 10.0 109.308 179.982 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.828 ' H ' HD12 ' A' ' 18' ' ' ILE . 0.1 OUTLIER -141.34 149.52 41.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 10.0 109.297 -179.972 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.941 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 6.8 m-30 -108.75 138.2 45.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 10.0 110.99 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.502 ' HB2' ' CH2' ' A' ' 32' ' ' TRP . 8.9 tp10 -119.68 130.46 55.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 10.0 110.288 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.442 ' HG3' HG22 ' A' ' 29' ' ' VAL . 2.8 tt0 -147.84 65.72 1.11 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 10.0 110.335 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.5 mttt -75.94 57.49 1.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 10.0 109.266 -179.931 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.495 ' O ' ' CB ' ' A' ' 25' ' ' SER . 1.5 mm-40 -155.2 -44.88 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.152 . . . . 10.0 110.306 -179.982 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 0.4 OUTLIER 85.41 -11.52 0.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 10.0 109.98 179.964 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -157.75 25.94 0.28 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 10.0 109.339 179.981 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -122.27 -152.88 8.73 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.473 1.108 . . . . 10.0 110.967 -179.978 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 146.86 33.13 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.466 1.771 . . . . 10.0 110.947 -179.969 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.537 HG12 HG23 ' A' ' 31' ' ' VAL . 28.8 t -106.92 87.9 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 10.0 109.271 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.497 ' O ' ' CZ3' ' A' ' 32' ' ' TRP . 18.0 mttt -63.96 93.0 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 10.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.864 HG22 ' CD1' ' A' ' 20' ' ' PHE . 21.8 t -96.25 137.57 23.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 10.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.502 ' CH2' ' HB2' ' A' ' 21' ' ' GLU . 26.4 p90 -160.2 145.45 14.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 10.0 107.987 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.435 ' O ' ' HA ' ' A' ' 96' ' ' ASP . . . -157.99 -173.49 26.48 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.456 1.097 . . . . 10.0 110.966 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.5 t -156.92 123.45 5.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 0.771 . . . . 10.0 110.009 179.965 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.642 HG21 ' CE1' ' A' ' 43' ' ' HIS . 0.0 OUTLIER -84.45 163.57 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.16 . . . . 10.0 109.326 179.968 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.52 ' CG ' ' O ' ' A' ' 35' ' ' ILE . 62.3 mttt -157.44 108.18 2.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.575 1.172 . . . . 10.0 109.26 179.976 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.445 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 144.43 -51.08 0.64 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.492 1.12 . . . . 10.0 111.003 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.96 HD22 ' CE1' ' A' ' 43' ' ' HIS . 1.8 mp -53.46 -170.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 0.769 . . . . 10.0 109.278 -179.957 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 40' ' ' GLU . 39.0 p -136.3 145.62 45.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.09 . . . . 10.0 110.396 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.675 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 10.0 pt-20 -37.76 128.03 1.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 10.0 110.283 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.423 ' O ' ' HA ' ' A' ' 88' ' ' THR . . . 151.45 -128.93 2.7 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.499 1.124 . . . . 10.0 111.012 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.476 HD22 ' HB1' ' A' ' 123' ' ' ALA . 1.6 mp -96.42 177.29 5.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 0.759 . . . . 10.0 109.276 -179.954 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.96 ' CE1' HD22 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -153.33 113.96 4.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 10.0 109.619 179.954 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.506 ' N ' ' CE1' ' A' ' 120' ' ' HIS . . . -62.2 101.28 0.36 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.469 1.106 . . . . 10.0 110.976 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.411 ' O ' ' OD1' ' A' ' 83' ' ' ASP . 30.9 t80 -81.68 61.72 5.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 0.76 . . . . 10.0 110.999 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.464 ' O ' HG23 ' A' ' 47' ' ' VAL . 22.3 m170 -60.48 174.91 0.5 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.15 . . . . 10.0 109.548 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.708 ' O ' HG12 ' A' ' 47' ' ' VAL . 47.7 t -154.25 60.29 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 10.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.646 ' ND1' HG22 ' A' ' 116' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 10.0 109.604 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 N-CA-C 111.028 -0.829 . . . . 10.0 111.028 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.484 ' OD1' ' N ' ' A' ' 84' ' ' LEU . 17.5 t0 -48.85 159.48 0.24 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 0.741 . . . . 10.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.484 ' N ' ' OD1' ' A' ' 83' ' ' ASP . 0.3 OUTLIER -107.88 -75.01 0.64 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 10.0 109.34 -179.994 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -155.23 -114.96 0.52 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.53 1.143 . . . . 10.0 110.982 -179.993 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.429 ' N ' ' OD1' ' A' ' 86' ' ' ASN . 0.6 OUTLIER -146.26 157.7 43.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 0.735 . . . . 10.0 109.273 -179.964 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.588 HG12 ' H ' ' A' ' 88' ' ' THR . 9.8 t -111.22 173.17 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.095 . . . . 10.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.588 ' H ' HG12 ' A' ' 87' ' ' VAL . 1.6 m -120.04 137.2 54.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 10.0 110.439 179.953 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.675 ' HB3' ' HA ' ' A' ' 40' ' ' GLU . . . -86.94 175.82 7.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 10.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.454 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 14.2 t0 -82.55 -98.0 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 10.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.454 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 22.2 pttt -137.63 10.37 2.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 10.0 109.32 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -153.29 23.14 0.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 10.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.489 ' C ' ' HB1' ' A' ' 89' ' ' ALA . . . 93.21 -35.54 4.07 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.52 1.137 . . . . 10.0 111.007 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.518 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 20.4 t -39.89 104.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.476 0.75 . . . . 10.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -111.24 119.09 37.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 10.0 109.275 179.995 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.435 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 6.7 p-10 -112.08 149.58 31.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 10.0 109.311 179.962 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.421 HG13 ' N ' ' A' ' 98' ' ' SER . 0.8 OUTLIER -125.46 161.78 29.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 10.0 109.309 -179.973 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.421 ' N ' HG13 ' A' ' 97' ' ' VAL . 29.9 p -169.7 93.91 0.26 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 10.0 109.99 -179.982 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.42 HG22 ' OD1' ' A' ' 101' ' ' ASP . 1.3 mp -125.36 150.43 30.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 10.0 109.32 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.473 ' CG ' ' HG2' ' A' ' 30' ' ' LYS . 0.2 OUTLIER -124.96 86.42 2.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 10.0 110.291 -179.987 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.42 ' OD1' HG22 ' A' ' 99' ' ' ILE . 36.2 m-20 -105.7 144.71 32.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 10.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 89.1 p -118.78 -43.26 2.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 10.0 110.021 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 25.1 t -43.8 -48.49 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 10.0 109.313 179.951 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.763 HD12 ' C ' ' A' ' 104' ' ' ILE . 1.7 pp -63.55 177.23 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 10.0 109.255 -179.953 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.43 167.24 23.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 10.0 110.04 180.0 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 1.037 HD23 HD11 ' A' ' 113' ' ' ILE . 9.1 mp -95.06 -34.19 12.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 10.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -144.57 78.59 1.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 10.0 109.993 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -156.58 -105.06 0.22 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.552 1.157 . . . . 10.0 111.026 -179.99 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -109.15 -25.67 10.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 0.782 . . . . 10.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . 0.752 ' CD2' HG22 ' A' ' 104' ' ' ILE . 15.7 m80 -94.21 -55.99 3.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 10.0 109.613 -179.988 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 31.1 t 43.03 78.48 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 10.0 110.006 179.957 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -85.64 5.33 2.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 10.0 109.281 -179.948 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 1.037 HD11 HD23 ' A' ' 106' ' ' LEU . 7.5 mm -57.58 122.01 6.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 10.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . 0.442 ' O ' ' ND1' ' A' ' 48' ' ' HIS . . . 104.01 27.95 6.07 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.499 1.124 . . . . 10.0 110.994 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -85.78 60.51 6.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 0.772 . . . . 10.0 110.302 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.677 ' HB ' HG22 ' A' ' 148' ' ' VAL . 9.1 t -57.17 119.85 7.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 10.0 110.394 -179.96 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.462 ' CD2' HG13 ' A' ' 119' ' ' VAL . 1.4 tp -88.46 99.11 12.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 10.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 1.024 HG12 ' O ' ' A' ' 145' ' ' ALA . 12.3 m -102.14 65.52 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 10.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.462 HG13 ' CD2' ' A' ' 117' ' ' LEU . 17.2 m -49.47 152.85 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 10.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.722 ' HD2' ' HB1' ' A' ' 140' ' ' ALA . 0.3 OUTLIER -97.29 164.86 12.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 10.0 109.629 179.978 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -90.26 43.34 1.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 10.0 110.273 -179.97 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.54 ' O ' ' CE1' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -171.31 -165.11 0.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 10.0 109.315 179.992 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.476 ' HB1' HD22 ' A' ' 42' ' ' LEU . . . -111.87 -179.43 3.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 10.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.404 ' HA ' ' O ' ' A' ' 138' ' ' GLY . 0.3 OUTLIER -127.96 96.24 4.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 10.0 109.319 180.0 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.49 -9.82 58.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 10.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 9.0 mt 43.88 46.98 6.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 10.0 109.324 -179.989 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -136.63 -130.52 2.9 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.514 1.134 . . . . 10.0 110.991 -179.963 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 130' ' ' GLY . 2.8 mtmt -129.73 -84.09 0.55 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 0.769 . . . . 10.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 67.47 -58.17 0.3 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.519 1.137 . . . . 10.0 111.007 -179.99 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 128' ' ' LYS . . . -107.68 -149.87 15.48 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.996 -0.842 . . . . 10.0 110.996 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 -155.86 132.79 10.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 0.757 . . . . 10.0 109.335 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 76.92 18.06 1.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 10.0 110.292 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . 0.448 ' O ' ' HG3' ' A' ' 136' ' ' LYS . 0.0 OUTLIER -141.39 -68.29 0.39 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 10.0 110.357 179.99 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . 0.444 ' CB ' ' O ' ' A' ' 128' ' ' LYS . 0.9 OUTLIER -75.96 -14.36 60.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 10.0 110.006 179.993 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 75.8 p -79.76 -19.63 48.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 10.0 110.395 179.978 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' A' ' 133' ' ' GLN . 3.8 ptpt -112.26 -24.05 10.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.097 . . . . 10.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . 0.564 ' OG1' ' N ' ' A' ' 138' ' ' GLY . 31.0 p -121.97 -86.92 0.65 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 10.0 110.413 179.966 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . 0.564 ' N ' ' OG1' ' A' ' 137' ' ' THR . . . 146.91 44.14 0.04 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.484 1.115 . . . . 10.0 111.0 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 2.3 t30 69.83 12.1 7.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 0.795 . . . . 10.0 109.351 -179.957 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.722 ' HB1' ' HD2' ' A' ' 120' ' ' HIS . . . -41.84 -72.9 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 10.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 140.35 -115.04 1.02 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.545 1.153 . . . . 10.0 110.996 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.51 137.97 40.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 0.769 . . . . 10.0 109.998 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . 0.431 ' HG2' ' N ' ' A' ' 144' ' ' LEU . 2.6 ttp180 -67.95 135.57 52.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 10.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.431 ' N ' ' HG2' ' A' ' 143' ' ' ARG . 3.4 pp -153.09 171.89 17.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 10.0 109.302 -179.942 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . 1.024 ' O ' HG12 ' A' ' 118' ' ' VAL . . . 63.84 163.19 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 10.0 109.325 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 28.6 p -156.02 69.98 0.67 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 10.0 108.341 -179.995 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . 0.687 ' O ' ' HB1' ' A' ' 6' ' ' ALA . . . -83.27 55.71 5.04 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.556 1.16 . . . . 10.0 110.98 -179.973 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.677 HG22 ' HB ' ' A' ' 116' ' ' THR . 69.6 t -53.12 129.02 13.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 0.763 . . . . 10.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 149' ' ' ILE . . . . . 0.546 HD13 ' HB2' ' A' ' 6' ' ' ALA . 19.4 mm -83.58 107.52 15.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 10.0 109.261 -179.96 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -130.24 136.89 9.15 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.489 1.118 . . . . 10.0 111.028 179.99 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . 0.439 HD13 ' HA ' ' A' ' 151' ' ' ILE . 25.1 mm -51.86 146.02 2.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.552 0.795 . . . . 10.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . 0.423 ' HB3' HG23 ' A' ' 5' ' ' VAL . . . -139.28 173.33 11.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 10.0 109.289 -179.941 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.167 . . . . 10.0 110.281 -179.986 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.574 HG23 ' CD1' ' A' ' 151' ' ' ILE . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.421 -0.214 . . . . 10.0 110.421 . . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.9 tmmt? -102.34 106.12 16.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 10.0 109.288 179.994 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.962 ' HB3' ' HB2' ' A' ' 20' ' ' PHE . . . -84.18 175.23 9.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.123 . . . . 10.0 109.315 179.949 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.2 t -143.71 156.83 16.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 10.0 109.278 -180.0 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.845 ' HB3' HG13 ' A' ' 18' ' ' ILE . . . -153.02 93.7 1.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 10.0 109.336 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.752 HG23 HG12 ' A' ' 17' ' ' ILE . 8.2 p -82.39 91.92 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 10.0 109.297 -179.957 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.525 HD13 ' H ' ' A' ' 147' ' ' GLY . 2.2 mm? -39.57 126.45 1.86 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 10.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.29 -63.28 1.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 10.0 109.305 179.97 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 65.0 114.79 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.424 1.077 . . . . 10.0 111.013 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -50.07 -22.28 1.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 0.785 . . . . 10.0 109.332 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.498 ' N ' ' CD ' ' A' ' 13' ' ' PRO . . . 164.56 -50.99 0.29 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.48 1.113 . . . . 10.0 111.02 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.498 ' CD ' ' N ' ' A' ' 12' ' ' GLY . 18.3 Cg_endo -75.0 8.29 2.48 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.467 1.772 . . . . 10.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.2 t -138.14 151.3 25.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 10.0 109.311 -179.98 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.08 42.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 10.0 110.269 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.5 ' CA ' ' HA ' ' A' ' 35' ' ' ILE . . . -69.29 168.03 45.93 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.47 1.106 . . . . 10.0 111.043 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.752 HG12 HG23 ' A' ' 7' ' ' VAL . 57.6 mt -142.33 107.87 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.524 0.779 . . . . 10.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.845 HG13 ' HB3' ' A' ' 6' ' ' ALA . 0.7 OUTLIER -97.27 160.15 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 10.0 109.307 179.983 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.645 ' N ' HD12 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -142.69 121.44 12.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 10.0 109.281 179.994 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.962 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 1.9 m-30 -95.82 102.41 14.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 10.0 110.99 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -108.14 119.58 39.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 10.0 110.292 -179.984 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -117.11 79.39 1.33 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 10.0 110.285 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.2 mttm -74.07 60.24 0.77 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 10.0 109.265 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.498 ' O ' ' CB ' ' A' ' 25' ' ' SER . 0.0 OUTLIER -154.86 -54.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 10.0 110.287 179.97 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 2.6 t 84.92 -9.87 0.84 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 10.0 109.994 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -157.33 25.95 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 10.0 109.333 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -133.64 -150.47 6.29 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.489 1.118 . . . . 10.0 110.987 -179.997 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.5 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 18.2 Cg_endo -75.03 170.49 20.3 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.481 1.78 . . . . 10.0 110.971 -179.964 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 27.7 t -115.75 119.19 61.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 10.0 109.333 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.9 mttm -74.37 93.44 2.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 10.0 109.316 179.977 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.761 HG22 ' CE1' ' A' ' 20' ' ' PHE . 40.8 t -84.65 133.31 29.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 10.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.472 ' CD1' ' N ' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -167.03 162.68 15.65 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.015 -1.106 . . . . 10.0 108.015 -179.992 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.472 ' N ' ' CD1' ' A' ' 32' ' ' TRP . . . 173.86 -164.61 36.09 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.523 1.139 . . . . 10.0 111.002 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -155.87 121.93 5.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 0.743 . . . . 10.0 110.066 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.942 HG21 HD13 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -83.54 165.14 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 10.0 109.323 -179.971 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.489 ' N ' HG23 ' A' ' 35' ' ' ILE . 36.5 mttt -152.02 118.5 5.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 10.0 109.265 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.466 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 124.95 -38.98 2.19 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.525 1.141 . . . . 10.0 111.019 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.942 HD13 HG21 ' A' ' 35' ' ' ILE . 0.2 OUTLIER -52.8 -169.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 0.77 . . . . 10.0 109.295 179.995 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 27.6 p -137.32 149.91 47.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 10.0 110.401 179.965 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.837 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 0.2 OUTLIER -51.33 112.25 0.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 10.0 110.275 179.999 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.446 ' O ' ' NE2' ' A' ' 43' ' ' HIS . . . 160.17 167.67 21.06 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.492 1.12 . . . . 10.0 111.044 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.3 mt -71.44 151.42 44.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.445 0.732 . . . . 10.0 109.326 -179.992 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.549 ' HE1' ' HB2' ' A' ' 89' ' ' ALA . 5.5 m80 -138.01 168.96 18.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 10.0 109.551 -179.938 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.481 ' CA ' ' HB2' ' A' ' 120' ' ' HIS . . . -83.43 -172.65 49.0 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.554 1.159 . . . . 10.0 111.023 179.958 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -78.51 173.66 12.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 0.778 . . . . 10.0 111.01 -179.999 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.609 ' CE1' HD12 ' A' ' 117' ' ' LEU . 0.5 OUTLIER -145.78 66.63 1.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 10.0 109.593 -179.999 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 43.0 t -123.65 113.51 37.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 10.0 109.266 -179.994 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.547 ' ND1' ' CG1' ' A' ' 118' ' ' VAL . 17.9 m80 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 10.0 109.627 179.955 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.482 ' O ' ' C ' ' A' ' 83' ' ' ASP . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 110.999 -0.84 . . . . 10.0 110.999 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.482 ' C ' ' O ' ' A' ' 82' ' ' GLY . 1.1 m-20 -34.51 127.9 0.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 0.793 . . . . 10.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.3 tt -173.39 -50.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 10.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 118.43 163.53 12.63 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.499 1.124 . . . . 10.0 111.018 -179.997 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -85.24 130.08 34.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 0.729 . . . . 10.0 109.266 -179.939 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 16.4 m -98.53 144.46 11.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 10.0 109.28 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 59.9 m -123.94 152.77 42.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.095 . . . . 10.0 110.434 179.989 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.837 ' HB3' ' HA ' ' A' ' 40' ' ' GLU . . . -84.92 163.03 19.22 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.546 1.154 . . . . 10.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.435 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 11.0 t0 -79.03 -96.14 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 10.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.435 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 2.6 pttt -136.2 9.32 3.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 10.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -153.81 24.83 0.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 10.0 109.318 -179.975 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.603 ' CA ' ' HB1' ' A' ' 89' ' ' ALA . . . 91.32 -35.39 3.95 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.524 1.14 . . . . 10.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.482 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 21.5 t -39.76 98.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.487 0.757 . . . . 10.0 109.276 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.463 ' HB3' ' HB ' ' A' ' 35' ' ' ILE . . . -104.18 115.29 30.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 10.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -107.84 143.63 36.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 10.0 109.323 -179.997 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.552 ' CG1' HD12 ' A' ' 99' ' ' ILE . 38.6 t -115.34 164.58 11.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 10.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.462 ' N ' HG12 ' A' ' 97' ' ' VAL . 31.2 t -173.07 86.34 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 10.0 109.994 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.552 HD12 ' CG1' ' A' ' 97' ' ' VAL . 3.7 mt -133.21 166.35 29.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 10.0 109.262 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.521 ' N ' HG22 ' A' ' 99' ' ' ILE . 35.9 tt0 -134.7 98.24 4.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 10.0 110.271 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.5 ' O ' ' CB ' ' A' ' 28' ' ' PRO . 1.1 t70 -92.28 142.64 27.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 10.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 45.2 p -119.5 -41.66 2.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 10.0 109.964 -179.994 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 40.5 t -48.38 -24.33 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 10.0 109.327 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.997 HD13 HD13 ' A' ' 112' ' ' ILE . 1.9 pp -114.66 156.89 15.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 10.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 10.7 t -148.88 160.44 43.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 10.0 109.996 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.563 HD22 HD11 ' A' ' 113' ' ' ILE . 3.0 mt -68.07 -24.19 65.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 10.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -136.88 175.07 9.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 10.0 110.017 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 101.47 -142.4 15.69 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.547 1.154 . . . . 10.0 110.98 179.992 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -94.0 30.49 1.85 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 0.794 . . . . 10.0 109.257 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 70.1 m80 -131.5 -61.37 0.91 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.138 . . . . 10.0 109.588 179.969 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 15.1 t 52.56 84.96 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 10.0 110.005 179.986 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.997 HD13 HD13 ' A' ' 104' ' ' ILE . 12.7 pt -92.47 -4.46 10.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 10.0 109.341 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.563 HD11 HD22 ' A' ' 106' ' ' LEU . 18.4 mm -62.13 101.97 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 10.0 109.255 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 127.31 39.09 0.39 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.495 1.122 . . . . 10.0 110.989 179.983 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.608 ' O ' HD23 ' A' ' 117' ' ' LEU . 5.5 mtp180 -84.61 101.89 12.49 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.526 0.78 . . . . 10.0 110.301 179.996 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.654 HG23 ' HB3' ' A' ' 146' ' ' CYS . 93.9 m -71.16 62.78 0.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 10.0 110.373 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.609 HD12 ' CE1' ' A' ' 46' ' ' HIS . 0.7 OUTLIER -41.77 111.62 0.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.158 . . . . 10.0 109.311 179.962 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.547 ' CG1' ' ND1' ' A' ' 48' ' ' HIS . 2.8 p -128.24 105.03 12.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 10.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.636 HG11 HD11 ' A' ' 38' ' ' LEU . 20.8 t -56.54 147.71 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 10.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.481 ' HB2' ' CA ' ' A' ' 44' ' ' GLY . 0.5 OUTLIER -85.01 140.59 30.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 10.0 109.546 -179.936 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.7 -49.9 67.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.099 . . . . 10.0 110.293 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -124.4 -163.65 1.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 10.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -107.24 152.08 24.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 10.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -75.72 -4.52 40.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 10.0 109.296 180.0 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 13.2 t0 55.4 31.14 16.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 10.0 109.256 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 9.1 mt 53.61 20.52 2.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 10.0 109.291 179.982 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 100.18 119.96 4.44 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.533 1.146 . . . . 10.0 111.043 -179.94 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.35 -24.23 15.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 0.781 . . . . 10.0 109.347 179.983 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 89.63 38.36 6.61 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 10.0 110.981 179.973 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -83.05 -146.21 6.37 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.063 -0.815 . . . . 10.0 111.063 179.966 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 65.4 m-80 -151.06 134.5 16.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 0.751 . . . . 10.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 51.19 22.62 1.37 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.561 1.163 . . . . 10.0 110.311 179.989 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -138.09 -72.12 0.42 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 10.0 110.281 -180.0 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 10.8 m -78.67 -26.14 44.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 10.0 110.004 -179.986 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 71.6 p -72.48 -6.28 42.65 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.478 1.111 . . . . 10.0 110.384 -179.982 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 16.8 mtmt -120.09 -43.62 2.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 10.0 109.301 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 41.7 p -127.64 -92.37 0.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 10.0 110.377 -179.999 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 177.37 39.84 0.06 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.506 1.129 . . . . 10.0 110.995 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 44.84 34.94 1.31 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 0.771 . . . . 10.0 109.267 179.992 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -152.19 24.66 0.63 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 10.0 109.312 -179.979 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -83.51 94.75 1.82 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.472 1.108 . . . . 10.0 110.978 -179.979 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . 0.428 ' O ' HD23 ' A' ' 144' ' ' LEU . 0.6 OUTLIER -150.15 93.1 1.96 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 0.749 . . . . 10.0 110.044 179.952 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . 0.401 ' O ' ' O ' ' A' ' 142' ' ' SER . 0.5 OUTLIER -44.82 169.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 10.0 110.248 -179.941 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.602 HD11 ' HB ' ' A' ' 119' ' ' VAL . 0.4 OUTLIER -168.51 -58.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 10.0 109.302 179.978 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . 0.409 ' N ' HD12 ' A' ' 144' ' ' LEU . . . -107.1 168.57 9.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 10.0 109.339 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 146' ' ' CYS . . . . . 0.654 ' HB3' HG23 ' A' ' 116' ' ' THR . 68.5 m -155.17 66.47 0.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 10.0 108.29 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . 0.525 ' H ' HD13 ' A' ' 8' ' ' LEU . . . -45.98 -51.81 10.58 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.49 1.119 . . . . 10.0 111.001 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.463 HG23 HG23 ' A' ' 116' ' ' THR . 2.8 t 66.09 136.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.55 0.794 . . . . 10.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 149' ' ' ILE . . . . . 0.472 ' CG1' ' HB2' ' A' ' 115' ' ' ARG . 5.0 mm -81.24 136.74 22.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 10.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -144.29 99.46 0.22 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.514 1.134 . . . . 10.0 111.003 179.97 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . 0.574 ' CD1' HG23 ' A' ' 2' ' ' THR . 17.2 mm -40.05 138.3 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.471 0.747 . . . . 10.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -126.57 175.25 8.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 10.0 109.312 179.978 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.145 . . . . 10.0 110.292 -179.986 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.293 -0.632 . . . . 10.0 109.293 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.0 p -85.14 108.64 17.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 10.0 110.365 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.1 tttp -111.56 88.32 2.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 10.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.945 ' HB3' ' HB2' ' A' ' 20' ' ' PHE . . . -84.85 164.68 18.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 10.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.6 HG23 ' HB3' ' A' ' 152' ' ' ALA . 2.1 t -144.39 155.53 15.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 10.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.576 ' HB3' HG23 ' A' ' 18' ' ' ILE . . . -155.47 93.45 1.49 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 10.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 58.4 t -81.6 99.58 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 10.0 109.278 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.586 HD12 ' CB ' ' A' ' 145' ' ' ALA . 3.6 mm? -46.24 145.34 1.69 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 10.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 17.7 tttt -178.29 136.1 0.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 10.0 109.286 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 11' ' ' ASP . . . 171.55 -95.08 0.1 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.532 1.145 . . . . 10.0 110.964 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 10' ' ' GLY . 53.0 t0 -38.44 -46.04 1.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 0.73 . . . . 10.0 109.266 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 143.95 -60.96 0.51 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.535 1.147 . . . . 10.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -39.05 1.32 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.475 1.776 . . . . 10.0 111.009 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 40.2 t -60.04 92.78 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 10.0 109.276 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -120.5 35.57 4.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 10.0 110.28 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.517 ' CA ' ' HB2' ' A' ' 8' ' ' LEU . . . -45.55 168.93 0.03 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.546 1.153 . . . . 10.0 111.021 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 57.7 mt -142.16 103.6 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.435 0.726 . . . . 10.0 109.323 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 1.069 HD12 ' N ' ' A' ' 19' ' ' ASN . 0.0 OUTLIER -115.41 128.66 72.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 10.0 109.266 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 1.069 ' N ' HD12 ' A' ' 18' ' ' ILE . 0.1 OUTLIER -123.79 145.89 48.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 10.0 109.31 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.945 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 5.3 m-85 -114.73 111.86 21.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 10.0 110.975 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -115.11 140.23 49.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 10.0 110.332 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.645 ' HG3' HG22 ' A' ' 29' ' ' VAL . 2.2 tt0 -142.21 62.35 1.43 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 10.0 110.314 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.3 mttt -75.08 59.83 0.98 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 10.0 109.287 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -154.5 139.17 16.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 10.0 110.307 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.3 m -87.32 -12.25 47.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 10.0 109.965 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -152.97 34.31 0.48 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 10.0 109.28 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -123.26 167.9 15.5 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.479 1.112 . . . . 10.0 111.018 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.406 ' HB3' ' N ' ' A' ' 102' ' ' SER . 18.2 Cg_endo -74.98 168.92 23.76 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.516 1.798 . . . . 10.0 111.023 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.645 HG22 ' HG3' ' A' ' 22' ' ' GLN . 37.5 t -89.98 113.56 26.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 10.0 109.268 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.405 ' O ' ' CE3' ' A' ' 32' ' ' TRP . 0.1 OUTLIER -68.85 97.58 0.85 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 10.0 109.291 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.463 HG22 ' CD2' ' A' ' 20' ' ' PHE . 54.4 t -94.94 124.69 47.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 10.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.418 ' HA ' ' O ' ' A' ' 97' ' ' VAL . 8.0 p90 -159.06 143.2 15.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 10.0 107.982 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.419 ' O ' ' HA ' ' A' ' 96' ' ' ASP . . . -157.23 -168.81 20.3 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.513 1.133 . . . . 10.0 110.982 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 74.0 m -157.0 122.83 4.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 0.772 . . . . 10.0 109.989 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.508 HG21 HD13 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -83.0 164.8 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 10.0 109.313 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.488 ' N ' HG23 ' A' ' 35' ' ' ILE . 16.9 mttt -155.8 105.74 2.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 10.0 109.308 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.455 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 144.04 -45.51 0.87 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.535 1.147 . . . . 10.0 110.966 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.625 HD22 ' CG ' ' A' ' 43' ' ' HIS . 0.6 OUTLIER -52.67 -170.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 0.799 . . . . 10.0 109.32 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.461 ' O ' ' N ' ' A' ' 41' ' ' GLY . 12.1 p -139.57 144.21 37.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 10.0 110.357 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.662 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 10.0 tt0 -40.42 95.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 10.0 110.277 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 39' ' ' THR . . . -177.48 -160.34 24.03 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.507 1.129 . . . . 10.0 111.018 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.461 HD12 ' C ' ' A' ' 41' ' ' GLY . 5.4 mp -104.79 136.4 44.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 0.769 . . . . 10.0 109.322 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.677 ' NE2' HG23 ' A' ' 87' ' ' VAL . 1.5 p80 -139.46 125.71 20.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 10.0 109.582 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.429 ' HA3' ' CG ' ' A' ' 120' ' ' HIS . . . -37.83 153.99 0.02 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.481 1.113 . . . . 10.0 110.987 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.477 ' CE2' HG12 ' A' ' 87' ' ' VAL . 0.2 OUTLIER -83.68 157.36 22.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 0.724 . . . . 10.0 110.985 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.649 ' CG ' HG23 ' A' ' 47' ' ' VAL . 0.1 OUTLIER -59.76 173.2 0.6 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 10.0 109.602 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.649 HG23 ' CG ' ' A' ' 46' ' ' HIS . 57.3 t 65.24 77.63 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 10.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.436 ' ND1' ' O ' ' A' ' 45' ' ' PHE . 55.2 m80 -157.42 101.14 1.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 10.0 109.593 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -134.4 111.63 10.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 10.0 110.284 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -60.05 -62.56 1.78 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 10.0 110.263 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.482 ' O ' ' CB ' ' A' ' 52' ' ' ASP . 14.1 pt-20 -146.41 176.08 10.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 10.0 110.282 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.482 ' CB ' ' O ' ' A' ' 51' ' ' GLU . 0.5 OUTLIER 156.88 130.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 10.0 109.334 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -136.63 12.31 3.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 10.0 109.289 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.531 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 8.8 t -110.66 -33.09 6.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.16 . . . . 10.0 110.375 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.531 ' HB3' ' O ' ' A' ' 54' ' ' THR . . . 72.91 116.56 0.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 10.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -112.65 -30.35 2.85 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.524 1.14 . . . . 10.0 111.022 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 8.7 m -118.31 -72.33 0.69 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.318 -0.993 . . . . 10.0 108.318 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 68.9 p -114.72 -149.93 0.45 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 10.0 110.411 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.6 t -178.48 111.92 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 10.0 109.969 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -159.63 -56.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.15 . . . . 10.0 109.299 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -176.35 99.64 0.13 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.492 1.12 . . . . 10.0 111.012 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 56.57 4.29 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.483 1.781 . . . . 10.0 110.996 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -154.65 36.95 0.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 10.0 109.562 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.41 ' CD1' ' N ' ' A' ' 64' ' ' PHE . 2.1 m-85 67.82 -149.91 0.16 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 10.0 110.989 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.678 ' CG ' HG21 ' A' ' 81' ' ' VAL . 0.9 OUTLIER -131.23 149.29 73.26 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 10.0 109.314 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -0.53 10.09 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.494 1.787 . . . . 10.0 110.973 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -80.97 -39.76 25.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 10.0 109.288 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.885 ' HB3' HG12 ' A' ' 81' ' ' VAL . 88.2 p -93.07 -39.1 11.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 10.0 110.011 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.405 ' HB2' ' O ' ' A' ' 68' ' ' SER . 0.0 OUTLIER 70.51 -60.78 0.49 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 10.0 110.276 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 27.8 mttt -130.7 157.95 41.4 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.447 1.092 . . . . 10.0 109.324 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -40.19 -37.37 0.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 10.0 109.611 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 48.69 -177.18 0.02 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.462 1.101 . . . . 10.0 111.02 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 132.74 -84.98 0.29 Allowed Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.972 -0.851 . . . . 10.0 110.972 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -29.17 8.47 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.522 1.801 . . . . 10.0 110.988 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.39 -27.74 18.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 10.0 109.266 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 53.66 90.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 10.0 109.324 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -115.95 -16.7 11.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 10.0 110.297 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.495 ' O ' ' C ' ' A' ' 79' ' ' ARG . 0.9 OUTLIER 173.89 -68.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 10.0 110.316 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.495 ' C ' ' O ' ' A' ' 78' ' ' GLU . 0.0 OUTLIER 30.9 45.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 10.0 110.286 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -85.73 -13.33 48.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.135 . . . . 10.0 109.579 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.885 HG12 ' HB3' ' A' ' 68' ' ' SER . 0.6 OUTLIER -97.75 -157.79 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 10.0 109.301 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.765 ' N ' HG13 ' A' ' 81' ' ' VAL . . . -88.4 38.78 3.16 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.475 1.109 . . . . 10.0 111.005 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -123.74 89.06 3.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 0.791 . . . . 10.0 109.325 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -93.28 -73.09 0.57 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.105 . . . . 10.0 109.336 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -177.37 -87.62 0.07 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.476 1.11 . . . . 10.0 110.999 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -148.09 161.47 41.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 0.778 . . . . 10.0 109.325 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.677 HG23 ' NE2' ' A' ' 43' ' ' HIS . 5.1 m -117.58 -156.57 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 10.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.462 ' N ' HG23 ' A' ' 87' ' ' VAL . 0.7 OUTLIER -155.05 144.04 20.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.428 1.08 . . . . 10.0 110.392 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.662 ' HB3' ' HA ' ' A' ' 40' ' ' GLU . . . -85.37 175.11 9.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 10.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.431 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 9.1 t70 -82.96 -97.59 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 10.0 109.328 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.431 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 18.1 mtmt -136.25 9.61 3.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 10.0 109.362 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -153.41 23.2 0.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.165 . . . . 10.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.569 ' CA ' ' HB1' ' A' ' 89' ' ' ALA . . . 91.14 -34.29 4.35 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.428 1.08 . . . . 10.0 111.021 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.474 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 19.6 t -39.93 101.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.492 0.76 . . . . 10.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.495 ' HB3' ' HB ' ' A' ' 35' ' ' ILE . . . -104.49 116.4 32.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 10.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.419 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 1.3 t70 -105.09 150.26 25.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 10.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.418 ' O ' ' HA ' ' A' ' 32' ' ' TRP . 76.9 t -127.39 157.73 38.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 10.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 25.4 p -164.44 100.98 0.82 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 10.0 110.004 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.9 mt -144.11 165.52 13.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 10.0 109.307 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -133.5 107.31 7.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 10.0 110.292 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -103.55 128.1 50.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 10.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.406 ' N ' ' HB3' ' A' ' 28' ' ' PRO . 0.0 OUTLIER -111.89 -43.6 3.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 10.0 110.04 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 75.7 t -48.43 -42.14 11.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 10.0 109.345 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.788 HD12 ' C ' ' A' ' 104' ' ' ILE . 1.5 pp -77.8 174.92 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 10.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.42 140.43 15.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.421 1.076 . . . . 10.0 110.027 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.715 HD12 HD11 ' A' ' 113' ' ' ILE . 4.1 mm? -47.31 -45.73 24.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 10.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 12.3 p -143.61 153.18 42.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.429 1.081 . . . . 10.0 110.046 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 131.09 -130.72 6.16 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.486 1.116 . . . . 10.0 111.017 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.8 -42.65 49.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 0.774 . . . . 10.0 109.324 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 40.2 m80 -112.38 63.55 0.63 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 10.0 109.579 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 99.3 p -68.2 110.91 4.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 10.0 109.994 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.568 HD13 HD13 ' A' ' 104' ' ' ILE . 24.7 pt -88.39 -9.77 10.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 10.0 109.25 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.715 HD11 HD12 ' A' ' 106' ' ' LEU . 12.8 mm -64.14 100.38 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.502 1.126 . . . . 10.0 109.232 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 130.23 39.92 0.27 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.51 1.131 . . . . 10.0 110.988 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.432 ' O ' ' N ' ' A' ' 117' ' ' LEU . 14.8 mmm-85 -103.42 94.66 5.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 0.731 . . . . 10.0 110.317 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.814 HG23 ' SG ' ' A' ' 146' ' ' CYS . 57.9 m -58.72 85.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 10.0 110.414 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.541 HD22 HD21 ' A' ' 8' ' ' LEU . 0.7 OUTLIER -67.77 114.16 6.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 10.0 109.323 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.466 HG22 ' N ' ' A' ' 119' ' ' VAL . 2.0 p -135.78 164.59 32.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 10.0 109.304 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.466 ' N ' HG22 ' A' ' 118' ' ' VAL . 11.9 m -116.91 146.34 21.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 10.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.429 ' CG ' ' HA3' ' A' ' 44' ' ' GLY . 10.5 m170 -84.82 141.68 30.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 10.0 109.605 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.615 ' HB2' HD11 ' A' ' 144' ' ' LEU . 1.5 tt0 -94.51 67.89 3.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 10.0 110.35 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.694 ' HB2' ' HB1' ' A' ' 140' ' ' ALA . 0.1 OUTLIER 168.27 177.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 10.0 109.304 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -115.77 115.65 26.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 10.0 109.305 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -64.61 -12.2 43.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 10.0 109.303 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 55.55 32.81 19.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 10.0 109.266 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.8 mt 52.33 22.47 2.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 10.0 109.268 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 129.53 128.93 3.08 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.512 1.132 . . . . 10.0 110.992 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.34 -25.11 31.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 0.771 . . . . 10.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 115.61 -46.0 1.22 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.503 1.127 . . . . 10.0 111.008 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -68.18 -162.51 2.27 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 110.979 -0.848 . . . . 10.0 110.979 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . 0.526 ' O ' ' CB ' ' A' ' 132' ' ' GLU . 14.8 p30 -143.63 147.9 35.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 0.747 . . . . 10.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.526 ' CB ' ' O ' ' A' ' 131' ' ' ASN . 7.0 tt0 88.47 31.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 10.0 110.311 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -159.82 -64.64 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 10.0 110.344 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 2.2 p -82.76 -12.49 57.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 10.0 110.029 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 61.9 p -79.82 -21.27 44.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 10.0 110.368 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.39 -40.24 4.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 10.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 47.0 p -124.04 -105.39 0.36 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 10.0 110.367 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -171.83 40.81 0.17 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.566 1.167 . . . . 10.0 110.966 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . 0.459 ' O ' ' HB2' ' A' ' 140' ' ' ALA . 25.9 t30 44.19 64.08 1.42 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 0.764 . . . . 10.0 109.315 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.694 ' HB1' ' HB2' ' A' ' 122' ' ' LYS . . . 177.75 -61.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.117 . . . . 10.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 140' ' ' ALA . . . 35.73 90.08 0.01 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.509 1.131 . . . . 10.0 111.028 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . 0.459 ' CB ' ' HB3' ' A' ' 121' ' ' GLU . 0.6 OUTLIER -130.86 93.0 3.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 0.744 . . . . 10.0 110.012 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . 0.429 ' NH1' ' HB2' ' A' ' 143' ' ' ARG . 13.4 mtp-105 -71.83 138.51 48.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 10.0 110.307 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.615 HD11 ' HB2' ' A' ' 121' ' ' GLU . 9.6 mt -141.94 -70.44 0.35 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 10.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . 0.586 ' CB ' HD12 ' A' ' 8' ' ' LEU . . . -73.84 172.03 12.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 10.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' CYS . . . . . 0.814 ' SG ' HG23 ' A' ' 116' ' ' THR . 5.2 t -156.1 68.88 0.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.117 . . . . 10.0 108.286 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . 0.554 ' O ' ' HB1' ' A' ' 6' ' ' ALA . . . -80.05 68.18 3.31 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.482 1.114 . . . . 10.0 111.003 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.487 HG23 ' SG ' ' A' ' 146' ' ' CYS . 3.0 t -59.88 136.67 23.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.496 0.762 . . . . 10.0 109.319 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' ILE . . . . . 0.539 HG12 ' CD1' ' A' ' 20' ' ' PHE . 3.4 tp -88.46 113.06 24.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 10.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -131.86 148.22 18.97 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.461 1.101 . . . . 10.0 110.987 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 38.7 mm -59.84 144.01 13.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.479 0.753 . . . . 10.0 109.307 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . 0.6 ' HB3' HG23 ' A' ' 5' ' ' VAL . . . -146.19 169.18 19.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 10.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 10.0 110.259 -179.964 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.43 ' CB ' ' HG2' ' A' ' 23' ' ' LYS . . . . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.313 -0.625 . . . . 10.0 109.313 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.727 HG23 HD12 ' A' ' 151' ' ' ILE . 2.9 m -133.46 100.37 4.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 10.0 110.363 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 60.0 tttt -111.97 136.63 51.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.107 . . . . 10.0 109.293 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.996 ' HB3' ' HB2' ' A' ' 20' ' ' PHE . . . -111.93 158.0 20.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 10.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.685 HG13 HD22 ' A' ' 19' ' ' ASN . 2.0 t -138.01 151.3 25.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 10.0 109.318 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.718 ' HB1' ' O ' ' A' ' 147' ' ' GLY . . . -155.27 90.0 1.24 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.424 1.078 . . . . 10.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 7' ' ' VAL . 28.6 m -81.22 108.16 14.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 10.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.496 HD22 ' HA3' ' A' ' 147' ' ' GLY . 0.2 OUTLIER -52.12 138.96 24.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 10.0 109.346 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.9 tttt -173.0 117.26 0.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 10.0 109.269 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -171.32 -84.39 0.06 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.493 1.121 . . . . 10.0 111.034 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.522 ' HB3' HG12 ' A' ' 14' ' ' VAL . 18.1 t70 -40.39 -42.62 1.62 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 0.748 . . . . 10.0 109.342 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 135.95 -61.43 0.62 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.443 1.09 . . . . 10.0 111.052 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -51.04 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.553 1.817 . . . . 10.0 111.02 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.598 HG23 HD12 ' A' ' 38' ' ' LEU . 14.4 p -53.25 101.49 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 10.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.73 50.31 1.63 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 10.0 110.295 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.489 ' CA ' ' HA ' ' A' ' 35' ' ' ILE . . . -56.71 165.36 5.18 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.466 1.104 . . . . 10.0 110.968 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 30.7 mt -140.47 101.8 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 0.75 . . . . 10.0 109.29 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.798 ' C ' HD13 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -119.48 138.96 48.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 10.0 109.286 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.685 HD22 HG13 ' A' ' 5' ' ' VAL . 0.1 OUTLIER -128.43 169.05 14.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 10.0 109.335 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.996 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 1.8 m-85 -125.89 133.45 51.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 10.0 111.021 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -123.64 124.56 43.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 10.0 110.289 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.582 ' HG3' HG22 ' A' ' 29' ' ' VAL . 1.9 tt0 -155.15 81.04 1.06 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.108 . . . . 10.0 110.287 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.43 ' HG2' ' CB ' ' A' ' 1' ' ' ALA . 6.3 mtpt -85.53 48.82 1.65 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 10.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.417 ' HB3' ' N ' ' A' ' 27' ' ' GLY . 6.5 mm-40 -155.39 141.63 18.48 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.117 . . . . 10.0 110.279 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.81 -10.51 59.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 10.0 110.004 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 49.8 p30 -154.61 33.42 0.41 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 10.0 109.306 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.417 ' N ' ' HB3' ' A' ' 24' ' ' GLU . . . -111.43 -179.17 20.18 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.484 1.115 . . . . 10.0 111.027 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.462 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 18.2 Cg_endo -75.06 156.86 42.76 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.539 1.81 . . . . 10.0 110.989 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.669 ' O ' HG23 ' A' ' 31' ' ' VAL . 24.8 t -109.72 97.07 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 10.0 109.278 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 34.9 mttt -66.0 93.49 0.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 10.0 109.301 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 29' ' ' VAL . 13.0 t -92.62 138.17 20.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 10.0 109.286 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.421 ' HA ' ' O ' ' A' ' 97' ' ' VAL . 7.1 p90 -161.1 152.82 19.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 10.0 108.016 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.403 ' O ' ' HA ' ' A' ' 96' ' ' ASP . . . -169.3 -174.04 37.42 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.556 1.16 . . . . 10.0 110.996 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 25.6 p -157.53 124.97 5.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 0.756 . . . . 10.0 110.003 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.677 HG21 HD13 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -84.79 163.16 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 10.0 109.275 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.507 ' CG ' ' O ' ' A' ' 35' ' ' ILE . 26.4 mttm -157.13 106.59 2.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 10.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.406 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 141.19 -39.99 1.38 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.503 1.127 . . . . 10.0 110.941 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.702 HD11 HG11 ' A' ' 119' ' ' VAL . 0.3 OUTLIER -54.02 -170.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 0.759 . . . . 10.0 109.325 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.3 p -130.62 136.33 48.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 10.0 110.388 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.784 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -39.21 122.16 1.23 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 10.0 110.282 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.485 ' C ' HD13 ' A' ' 42' ' ' LEU . . . 155.1 -147.45 16.47 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.449 1.093 . . . . 10.0 111.002 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.485 HD13 ' C ' ' A' ' 41' ' ' GLY . 0.3 OUTLIER -102.81 150.7 23.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 0.782 . . . . 10.0 109.284 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.639 ' CG ' HD22 ' A' ' 38' ' ' LEU . 41.3 m-70 -151.28 115.95 5.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 10.0 109.594 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.538 ' CA ' ' HB2' ' A' ' 120' ' ' HIS . . . -71.28 78.23 0.56 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.53 1.144 . . . . 10.0 111.018 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.639 ' CZ ' ' CB ' ' A' ' 117' ' ' LEU . 1.0 OUTLIER -72.92 114.39 11.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.442 0.731 . . . . 10.0 110.981 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.535 ' NE2' ' CD2' ' A' ' 120' ' ' HIS . 13.0 p80 -175.93 176.14 1.85 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 10.0 109.594 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.506 HG22 ' O ' ' A' ' 116' ' ' THR . 9.5 t -77.91 160.19 4.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 10.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.603 ' CD2' ' O ' ' A' ' 142' ' ' SER . 0.0 OUTLIER -150.96 170.54 19.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 10.0 109.575 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.585 ' N ' ' CG ' ' A' ' 48' ' ' HIS . 0.1 OUTLIER 170.36 60.71 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.468 1.105 . . . . 10.0 110.282 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -105.73 138.74 41.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.165 . . . . 10.0 110.294 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.405 ' HG3' ' N ' ' A' ' 52' ' ' ASP . 9.3 pt-20 43.63 -153.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 10.0 110.284 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.405 ' N ' ' HG3' ' A' ' 51' ' ' GLU . 0.7 OUTLIER -160.25 114.16 2.18 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.47 1.106 . . . . 10.0 109.338 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 20.2 m-20 -179.38 60.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 10.0 109.312 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.609 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 0.9 OUTLIER -151.95 -51.58 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 10.0 110.429 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.609 ' HB2' ' O ' ' A' ' 54' ' ' THR . . . 169.5 -85.22 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 10.0 109.321 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 134.91 80.6 0.13 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.494 1.121 . . . . 10.0 111.02 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 22.1 p -105.3 20.61 18.58 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.272 -1.01 . . . . 10.0 108.272 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.438 ' O ' ' CB ' ' A' ' 59' ' ' SER . 43.4 p -116.82 -147.07 0.41 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 10.0 110.403 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.438 ' CB ' ' O ' ' A' ' 58' ' ' THR . 2.4 p 164.41 87.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 10.0 110.029 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -170.79 -66.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 10.0 109.299 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 164.49 145.39 4.38 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.477 1.11 . . . . 10.0 111.042 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 56.67 4.32 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.506 1.793 . . . . 10.0 111.03 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -154.4 41.09 0.47 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 10.0 109.573 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 45.72 -158.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 10.0 110.988 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.791 ' HB2' HG11 ' A' ' 81' ' ' VAL . 40.5 m-80 -88.44 157.24 50.3 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 10.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 66.63 6.01 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.511 1.795 . . . . 10.0 111.01 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -172.77 -40.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.1 . . . . 10.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.3 p -48.31 97.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.5 1.125 . . . . 10.0 109.963 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.403 ' O ' ' O ' ' A' ' 70' ' ' LYS . 3.9 mtp85 -84.01 18.97 1.88 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 10.0 110.276 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' A' ' 69' ' ' ARG . 32.7 mttp 56.8 163.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 10.0 109.324 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 25.1 m80 66.28 133.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 10.0 109.601 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 145.2 157.43 7.23 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.449 1.093 . . . . 10.0 110.996 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.409 ' HA3' ' HD3' ' A' ' 74' ' ' PRO . . . -173.31 -105.02 0.18 Allowed Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.975 -0.85 . . . . 10.0 110.975 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.409 ' HD3' ' HA3' ' A' ' 73' ' ' GLY . 18.3 Cg_endo -75.02 -64.07 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.445 1.76 . . . . 10.0 111.042 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.92 -29.65 67.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 10.0 109.299 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 54.14 92.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 10.0 109.354 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -114.25 -17.55 11.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 10.0 110.273 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -149.85 -173.82 4.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 10.0 110.296 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.6 HH11 ' N ' ' A' ' 83' ' ' ASP . 2.1 ttt-85 72.47 -75.66 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 10.0 110.313 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 66.74 -67.88 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 10.0 109.58 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.791 HG11 ' HB2' ' A' ' 65' ' ' ASN . 2.6 t -57.41 -72.1 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.12 . . . . 10.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.518 ' N ' HG12 ' A' ' 81' ' ' VAL . . . -57.41 -55.87 28.09 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.481 1.113 . . . . 10.0 111.042 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.6 ' N ' HH11 ' A' ' 79' ' ' ARG . 10.3 t0 -51.98 136.24 29.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 0.752 . . . . 10.0 109.27 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 14.3 tp -164.21 47.29 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 10.0 109.277 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 38.58 -157.48 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.496 1.123 . . . . 10.0 110.975 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.488 ' HB2' HD23 ' A' ' 126' ' ' LEU . 3.8 m-20 -127.65 175.71 8.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 0.745 . . . . 10.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 23.6 m -130.33 -164.54 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 10.0 109.331 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.438 ' HA ' ' O ' ' A' ' 41' ' ' GLY . 23.3 m -151.05 138.3 19.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 10.0 110.404 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.784 ' HB3' ' HA ' ' A' ' 40' ' ' GLU . . . -84.99 175.08 9.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 10.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.448 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 15.4 t0 -86.95 -98.63 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 10.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.448 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 19.9 pttt -136.9 9.75 3.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 10.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -146.59 18.58 1.32 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 10.0 109.269 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.452 ' CA ' ' HB1' ' A' ' 89' ' ' ALA . . . 90.04 -24.62 14.94 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.493 1.121 . . . . 10.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.524 HG13 ' O ' ' A' ' 35' ' ' ILE . 15.1 t -48.03 110.39 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.543 0.79 . . . . 10.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -118.15 121.39 40.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 10.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.403 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 3.8 p-10 -112.28 152.64 28.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 10.0 109.305 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.421 ' O ' ' HA ' ' A' ' 32' ' ' TRP . 55.7 t -134.37 159.76 41.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 10.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 93.2 p -164.48 99.42 0.81 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 10.0 109.968 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 4.3 mt -125.75 146.36 31.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 10.0 109.302 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -131.22 90.34 2.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 10.0 110.285 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.462 ' O ' ' CB ' ' A' ' 28' ' ' PRO . 0.4 OUTLIER -113.03 162.37 15.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 10.0 109.268 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 26.8 p -134.06 31.18 3.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 10.0 110.04 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -105.84 -42.12 6.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 10.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.424 ' HA ' ' CG ' ' A' ' 110' ' ' HIS . 0.0 OUTLIER -70.34 177.31 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 10.0 109.303 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.606 ' O ' HG23 ' A' ' 112' ' ' ILE . 3.2 m -150.97 146.99 26.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 10.0 109.962 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.543 HD22 HD11 ' A' ' 113' ' ' ILE . 12.7 mt -62.74 -53.8 48.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 10.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 5.5 t -144.99 68.67 1.24 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 10.0 110.002 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -141.58 -144.28 4.37 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.448 1.092 . . . . 10.0 111.012 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -55.82 -32.13 63.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 0.768 . . . . 10.0 109.292 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.424 ' CG ' ' HA ' ' A' ' 104' ' ' ILE . 10.9 m80 -94.37 -55.8 3.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 10.0 109.607 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 4.5 t 53.39 99.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 10.0 109.97 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.775 HD13 ' CE2' ' A' ' 20' ' ' PHE . 1.3 pp -89.96 -26.16 5.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 10.0 109.328 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.543 HD11 HD22 ' A' ' 106' ' ' LEU . 18.0 mm -50.25 122.57 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 10.0 109.351 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 107.17 8.02 31.95 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.557 1.16 . . . . 10.0 110.976 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.939 ' O ' HD12 ' A' ' 149' ' ' ILE . 18.4 mtt180 -98.13 148.8 23.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 0.801 . . . . 10.0 110.284 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.543 HG23 ' CG2' ' A' ' 118' ' ' VAL . 8.1 t -142.22 134.72 28.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 10.0 110.392 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.639 ' CB ' ' CZ ' ' A' ' 45' ' ' PHE . 0.3 OUTLIER -90.73 76.55 6.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 10.0 109.332 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 1.02 HG13 ' O ' ' A' ' 145' ' ' ALA . 2.7 t -72.3 99.61 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 10.0 109.279 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.702 HG11 HD11 ' A' ' 38' ' ' LEU . 21.1 m -41.61 146.66 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 10.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.538 ' HB2' ' CA ' ' A' ' 44' ' ' GLY . 0.3 OUTLIER -84.52 115.68 22.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 10.0 109.588 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.591 ' HA ' HD11 ' A' ' 144' ' ' LEU . 3.5 tm-20 -38.57 -28.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 10.0 110.342 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 120' ' ' HIS . 1.6 ttmt -151.78 155.53 38.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 10.0 109.301 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -50.26 176.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 10.0 109.278 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.408 ' CG ' ' O ' ' A' ' 127' ' ' GLY . 57.0 t0 -138.61 44.9 2.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 10.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 47.11 27.79 0.84 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 10.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.488 HD23 ' HB2' ' A' ' 86' ' ' ASN . 25.6 mt 54.86 19.6 2.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 10.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . 0.408 ' O ' ' CG ' ' A' ' 124' ' ' ASP . . . -175.28 -109.07 0.23 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.506 1.129 . . . . 10.0 111.02 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 44.8 mtmt -123.11 -77.2 0.59 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 0.754 . . . . 10.0 109.264 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 86.13 -38.41 3.07 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.485 1.116 . . . . 10.0 111.011 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -106.32 -155.24 21.05 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.008 -0.837 . . . . 10.0 111.008 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -149.32 143.96 26.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 0.749 . . . . 10.0 109.266 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 51.97 28.14 4.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 10.0 110.292 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -153.29 -78.81 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 10.0 110.328 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . 0.47 ' HA ' ' CA ' ' A' ' 138' ' ' GLY . 39.8 m -62.65 -22.61 66.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 10.0 110.008 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 23.5 p -68.24 -34.8 76.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 10.0 110.389 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.46 ' O ' ' NH2' ' A' ' 79' ' ' ARG . 16.7 pttt -96.58 -24.44 16.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 10.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . 0.428 ' OG1' ' N ' ' A' ' 138' ' ' GLY . 81.1 p -136.36 -100.84 0.21 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 10.0 110.416 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . 0.47 ' CA ' ' HA ' ' A' ' 134' ' ' SER . . . 174.24 36.93 0.04 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.54 1.15 . . . . 10.0 110.96 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . 0.422 ' C ' ' O ' ' A' ' 138' ' ' GLY . 51.4 t30 37.41 32.89 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 0.764 . . . . 10.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 138' ' ' GLY . . . -115.26 -63.15 1.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 10.0 109.334 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 116.71 68.91 0.41 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.474 1.108 . . . . 10.0 111.001 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . 0.603 ' O ' ' CD2' ' A' ' 48' ' ' HIS . 68.8 p -58.07 101.38 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 0.756 . . . . 10.0 110.017 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . 0.686 ' C ' HD12 ' A' ' 144' ' ' LEU . 6.4 mtt85 -165.19 93.71 0.61 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 10.0 110.271 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.686 HD12 ' C ' ' A' ' 143' ' ' ARG . 5.6 mp -152.94 -103.18 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 10.0 109.27 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . 1.02 ' O ' HG13 ' A' ' 118' ' ' VAL . . . -77.14 175.56 9.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 10.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -153.48 68.44 0.79 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 10.0 108.309 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . 0.718 ' O ' ' HB1' ' A' ' 6' ' ' ALA . . . -68.27 60.83 0.41 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.498 1.124 . . . . 10.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.448 ' CG2' ' HB ' ' A' ' 116' ' ' THR . 2.9 t -57.41 104.6 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.52 0.776 . . . . 10.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' ILE . . . . . 0.939 HD12 ' O ' ' A' ' 115' ' ' ARG . 4.2 mp -56.31 122.47 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 10.0 109.267 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -142.72 137.5 7.78 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.514 1.133 . . . . 10.0 110.968 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . 0.727 HD12 HG23 ' A' ' 2' ' ' THR . 27.4 mm -52.6 146.87 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.463 0.743 . . . . 10.0 109.312 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . 0.637 ' HB3' HG23 ' A' ' 5' ' ' VAL . . . -150.22 174.81 12.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 10.0 109.279 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 10.0 110.322 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.412 ' N ' ' HA ' ' A' ' 23' ' ' LYS . . . . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.29 -0.633 . . . . 10.0 109.29 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.788 ' HB ' HD22 ' A' ' 106' ' ' LEU . 54.0 m -149.94 166.28 30.1 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.107 . . . . 10.0 110.371 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.415 ' N ' HG22 ' A' ' 2' ' ' THR . 0.5 OUTLIER -115.3 99.24 7.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 10.0 109.304 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.96 ' HB3' ' HB2' ' A' ' 20' ' ' PHE . . . -84.82 169.32 14.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 10.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.425 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -148.08 145.34 18.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 10.0 109.358 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.888 ' HB3' ' CG1' ' A' ' 18' ' ' ILE . . . -138.3 104.72 5.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 10.0 109.306 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 70.2 t -84.3 88.14 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 10.0 109.266 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.586 HD22 ' HA3' ' A' ' 147' ' ' GLY . 2.2 mm? -40.7 146.93 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 10.0 109.273 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.44 129.06 0.2 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 10.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.434 ' O ' ' C ' ' A' ' 11' ' ' ASP . . . -178.62 -91.92 0.08 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.485 1.115 . . . . 10.0 111.034 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 10' ' ' GLY . 33.9 t0 -38.11 -36.16 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 0.762 . . . . 10.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 137.04 -64.55 0.57 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.515 1.135 . . . . 10.0 110.983 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.469 ' O ' ' N ' ' A' ' 15' ' ' GLN . 18.3 Cg_endo -75.0 -37.08 2.18 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.5 1.789 . . . . 10.0 110.965 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.733 ' O ' HG12 ' A' ' 14' ' ' VAL . 1.9 t -54.9 88.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 10.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 13' ' ' PRO . 0.2 OUTLIER -113.5 35.28 4.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 10.0 110.32 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.53 ' CA ' ' HB2' ' A' ' 8' ' ' LEU . . . -47.29 163.17 0.22 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.46 1.1 . . . . 10.0 110.994 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.405 HG13 ' C ' ' A' ' 16' ' ' GLY . 64.4 mt -142.5 105.98 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.538 0.787 . . . . 10.0 109.25 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.888 ' CG1' ' HB3' ' A' ' 6' ' ' ALA . 0.6 OUTLIER -99.3 159.45 3.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 10.0 109.283 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.584 ' N ' HD12 ' A' ' 18' ' ' ILE . 0.1 OUTLIER -144.05 116.76 8.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 10.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.96 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 1.9 m-30 -95.07 96.45 9.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 10.0 111.014 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -107.61 122.99 47.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 10.0 110.299 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.652 ' HB2' HG13 ' A' ' 29' ' ' VAL . 9.0 tt0 -135.39 59.26 1.73 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 10.0 110.276 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.412 ' HA ' ' N ' ' A' ' 1' ' ' ALA . 8.7 mttt -73.0 63.07 0.64 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 10.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.461 ' O ' ' CB ' ' A' ' 25' ' ' SER . 31.2 mm-40 -132.69 -52.49 0.93 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 10.0 110.339 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.461 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 0.2 OUTLIER 83.39 -10.03 1.01 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 10.0 110.028 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -157.35 26.0 0.3 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 10.0 109.325 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -133.93 -174.43 13.52 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.506 1.129 . . . . 10.0 110.972 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.458 ' HA ' ' O ' ' A' ' 101' ' ' ASP . 18.2 Cg_endo -75.03 157.4 42.67 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.535 1.808 . . . . 10.0 110.979 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.652 HG13 ' HB2' ' A' ' 22' ' ' GLN . 24.3 t -88.51 120.64 37.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 10.0 109.343 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.0 tttt -69.79 91.22 0.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 10.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.579 HG13 ' CE1' ' A' ' 20' ' ' PHE . 92.6 t -88.58 119.23 35.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 10.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -159.67 160.42 34.16 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.03 -1.1 . . . . 10.0 108.03 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.421 ' O ' ' HA ' ' A' ' 96' ' ' ASP . . . 179.43 -162.84 29.86 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.488 1.117 . . . . 10.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.9 p -156.58 124.17 5.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 0.785 . . . . 10.0 110.043 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.497 HG23 ' N ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -84.26 166.06 2.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.111 . . . . 10.0 109.293 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.497 ' N ' HG23 ' A' ' 35' ' ' ILE . 12.0 mttt -152.05 96.36 2.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 10.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.448 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 148.77 -34.14 1.14 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.456 1.098 . . . . 10.0 111.015 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.679 HD12 ' CG ' ' A' ' 43' ' ' HIS . 0.2 OUTLIER -53.04 -170.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 0.742 . . . . 10.0 109.319 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.416 ' O ' ' N ' ' A' ' 41' ' ' GLY . 20.4 p -137.43 142.82 41.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 10.0 110.425 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.452 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 8.0 tm-20 -39.04 98.22 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.142 . . . . 10.0 110.348 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 39' ' ' THR . . . 161.76 176.59 34.01 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.484 1.115 . . . . 10.0 110.972 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.401 ' HA ' ' O ' ' A' ' 87' ' ' VAL . 1.0 OUTLIER -74.72 146.45 42.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 0.775 . . . . 10.0 109.322 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.679 ' CG ' HD12 ' A' ' 38' ' ' LEU . 7.5 p80 -153.25 151.14 29.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.401 1.063 . . . . 10.0 109.61 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -82.25 159.45 39.16 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.528 1.142 . . . . 10.0 111.021 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.58 ' CZ ' ' HB3' ' A' ' 117' ' ' LEU . 58.3 t80 -169.03 97.45 0.36 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.428 0.722 . . . . 10.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.457 ' CE1' ' HB3' ' A' ' 48' ' ' HIS . 7.6 p80 -167.42 175.56 7.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 10.0 109.566 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.838 HG12 ' CG ' ' A' ' 64' ' ' PHE . 3.5 t -95.11 109.58 22.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 10.0 109.299 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.459 ' ND1' ' O ' ' A' ' 48' ' ' HIS . 0.0 OUTLIER -151.94 105.22 3.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 10.0 109.575 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -149.22 109.34 4.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 10.0 110.258 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.409 ' O ' ' O ' ' A' ' 62' ' ' PRO . 0.1 OUTLIER -55.91 -87.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 10.0 110.267 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -113.8 -82.87 0.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 10.0 110.287 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 59.34 79.85 0.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 10.0 109.289 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -111.38 62.77 0.61 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 10.0 109.247 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.67 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 2.6 t -144.22 -45.58 0.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 10.0 110.393 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.67 ' HB2' ' O ' ' A' ' 54' ' ' THR . . . 165.6 118.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 10.0 109.346 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.403 ' C ' ' SG ' ' A' ' 57' ' ' CYS . . . -155.69 56.9 0.4 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.516 1.135 . . . . 10.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.403 ' SG ' ' C ' ' A' ' 56' ' ' GLY . 0.8 OUTLIER 74.17 -65.65 0.34 Allowed 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.304 -0.998 . . . . 10.0 108.304 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 34.8 p -144.7 -147.15 0.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 10.0 110.42 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -145.67 -67.96 0.29 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.12 . . . . 10.0 110.001 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . 63.26 -80.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 10.0 109.31 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 59' ' ' SER . . . -153.81 111.12 0.48 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.544 1.153 . . . . 10.0 111.011 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.409 ' O ' ' O ' ' A' ' 50' ' ' GLU . 18.3 Cg_endo -74.95 69.35 5.53 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.525 1.803 . . . . 10.0 111.041 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.413 ' O ' ' OD1' ' A' ' 65' ' ' ASN . 0.6 OUTLIER -155.4 -63.88 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 10.0 109.618 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.838 ' CG ' HG12 ' A' ' 47' ' ' VAL . 22.6 m-85 40.06 56.05 2.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 10.0 110.972 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.645 ' OD1' HG23 ' A' ' 81' ' ' VAL . 75.1 m-20 -131.18 67.87 81.05 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 10.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.463 ' O ' ' CB ' ' A' ' 67' ' ' LEU . 18.4 Cg_endo -74.99 86.54 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.463 1.77 . . . . 10.0 111.029 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.49 ' CD2' ' HD2' ' A' ' 69' ' ' ARG . 0.2 OUTLIER 85.14 -47.75 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 10.0 109.25 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.46 ' O ' ' CB ' ' A' ' 69' ' ' ARG . 37.9 m 58.21 -102.87 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 10.0 109.978 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.49 ' HD2' ' CD2' ' A' ' 67' ' ' LEU . 0.0 OUTLIER 82.19 -43.61 0.15 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 10.0 110.308 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.401 ' HB3' ' O ' ' A' ' 69' ' ' ARG . 5.9 ttpp 67.97 146.65 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 10.0 109.286 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.538 ' CG ' ' O ' ' A' ' 71' ' ' HIS . 0.1 OUTLIER 58.45 90.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 10.0 109.622 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -108.35 -78.68 1.1 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.532 1.145 . . . . 10.0 111.015 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -163.16 -117.51 0.42 Allowed Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.999 -0.84 . . . . 10.0 110.999 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -68.74 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.509 1.794 . . . . 10.0 111.014 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 11.6 mtpt -102.34 -46.66 4.73 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.118 . . . . 10.0 109.321 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.439 ' N ' ' OD1' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -177.69 94.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 10.0 109.27 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -85.43 -14.88 44.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 10.0 110.3 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -121.81 -83.08 0.66 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 10.0 110.289 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.44 ' O ' ' C ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER 170.6 39.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.108 . . . . 10.0 110.273 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.458 ' O ' ' C ' ' A' ' 81' ' ' VAL . 20.7 p80 -37.08 134.88 0.51 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 10.0 109.576 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.645 HG23 ' OD1' ' A' ' 65' ' ' ASN . 7.2 p -36.18 98.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 10.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 80' ' ' HIS . . . 131.97 -24.32 4.05 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.571 1.169 . . . . 10.0 110.958 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.799 ' O ' HD12 ' A' ' 84' ' ' LEU . 9.1 p-10 36.59 82.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 0.784 . . . . 10.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.799 HD12 ' O ' ' A' ' 83' ' ' ASP . 0.0 OUTLIER 172.18 114.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 10.0 109.312 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -54.4 -167.16 0.03 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.493 1.121 . . . . 10.0 110.982 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 64.6 m-20 -94.02 163.32 13.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 0.774 . . . . 10.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.429 HG12 ' H ' ' A' ' 88' ' ' THR . 2.5 t -127.63 167.93 21.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 10.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.429 ' H ' HG12 ' A' ' 87' ' ' VAL . 92.7 m -139.96 150.67 44.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 10.0 110.408 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.581 ' HB1' ' CA ' ' A' ' 93' ' ' GLY . . . -87.6 164.43 16.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 10.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.437 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 5.6 t70 -79.65 -94.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 10.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.513 ' CG ' ' O ' ' A' ' 91' ' ' LYS . 11.9 tttt -139.47 12.99 2.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 10.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -152.84 22.9 0.58 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.085 . . . . 10.0 109.269 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.581 ' CA ' ' HB1' ' A' ' 89' ' ' ALA . . . 93.1 -35.57 4.05 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.48 1.112 . . . . 10.0 111.033 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.452 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 55.6 t -41.55 108.74 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 0.766 . . . . 10.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -114.53 118.36 33.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.116 . . . . 10.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.421 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 4.1 p-10 -102.06 146.21 28.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.138 . . . . 10.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.429 HG12 ' N ' ' A' ' 98' ' ' SER . 30.6 t -114.5 163.58 11.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 10.0 109.345 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.429 ' N ' HG12 ' A' ' 97' ' ' VAL . 90.6 p -168.34 96.06 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 10.0 110.02 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.8 mt -143.56 159.25 16.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.497 1.123 . . . . 10.0 109.304 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -122.0 105.18 10.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.136 . . . . 10.0 110.259 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.458 ' O ' ' HA ' ' A' ' 28' ' ' PRO . 1.5 m-20 -84.35 109.46 17.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.453 1.095 . . . . 10.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 62.9 p -92.82 -7.08 47.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 10.0 109.95 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 77.1 t -86.48 -84.03 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 10.0 109.311 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.747 HD12 ' C ' ' A' ' 104' ' ' ILE . 1.7 pp -57.58 173.91 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 10.0 109.269 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 20.2 p 179.98 179.86 0.51 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.559 1.162 . . . . 10.0 110.004 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.788 HD22 ' HB ' ' A' ' 2' ' ' THR . 0.9 OUTLIER -99.01 48.76 0.96 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 10.0 109.274 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.465 ' O ' ' N ' ' A' ' 109' ' ' ASP . 0.3 OUTLIER -105.68 60.97 0.66 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 10.0 109.992 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.473 ' O ' ' CB ' ' A' ' 111' ' ' SER . . . 52.52 -87.52 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.511 1.132 . . . . 10.0 111.0 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 107' ' ' SER . 0.3 OUTLIER -55.43 -34.63 64.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 0.745 . . . . 10.0 109.333 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.464 ' O ' ' C ' ' A' ' 111' ' ' SER . 12.4 m80 -84.53 -16.76 41.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 10.0 109.572 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.473 ' CB ' ' O ' ' A' ' 108' ' ' GLY . 76.3 p -33.52 116.96 0.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 10.0 110.008 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.686 HG21 HD13 ' A' ' 104' ' ' ILE . 0.1 OUTLIER -85.97 -12.81 11.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 10.0 109.304 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.524 HD13 HG22 ' A' ' 149' ' ' ILE . 34.8 mm -40.07 113.77 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 10.0 109.327 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 116.63 20.66 4.94 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.556 1.16 . . . . 10.0 111.019 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.814 ' HB3' HD13 ' A' ' 149' ' ' ILE . 0.0 OUTLIER -84.72 106.95 16.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 0.78 . . . . 10.0 110.261 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.645 ' C ' HG22 ' A' ' 47' ' ' VAL . 5.4 m -89.98 83.0 6.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 10.0 110.419 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.58 ' HB3' ' CZ ' ' A' ' 45' ' ' PHE . 2.7 mm? -71.09 76.6 0.68 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 10.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.551 HG13 ' O ' ' A' ' 145' ' ' ALA . 2.7 t -66.97 139.47 21.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 10.0 109.271 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.548 HG12 ' HD1' ' A' ' 45' ' ' PHE . 1.9 m -99.64 133.17 43.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 10.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.416 ' ND1' ' HA2' ' A' ' 141' ' ' GLY . 10.6 m-70 -91.3 140.71 29.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 10.0 109.613 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -46.87 -25.99 0.88 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 10.0 110.278 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 3.1 tttp -145.29 -171.89 3.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 10.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.466 ' HB2' ' N ' ' A' ' 43' ' ' HIS . . . -111.82 -166.07 1.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 10.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.415 ' C ' ' N ' ' A' ' 126' ' ' LEU . 4.9 t70 -101.16 5.1 42.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 10.0 109.262 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 48.12 24.06 0.6 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 10.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.415 ' N ' ' C ' ' A' ' 124' ' ' ASP . 7.5 mt 59.89 15.8 5.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.117 . . . . 10.0 109.295 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 172.32 -46.75 0.17 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.483 1.115 . . . . 10.0 111.03 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 129' ' ' GLY . 0.0 OUTLIER 49.48 23.64 0.94 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 0.799 . . . . 10.0 109.278 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.426 ' C ' ' O ' ' A' ' 128' ' ' LYS . . . 35.73 45.32 0.76 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.492 1.12 . . . . 10.0 110.972 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . 0.497 ' O ' HG23 ' A' ' 135' ' ' THR . . . -133.89 160.63 24.14 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.047 -0.821 . . . . 10.0 111.047 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -138.55 134.09 33.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 0.777 . . . . 10.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 73.05 7.66 5.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.567 1.167 . . . . 10.0 110.292 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -132.7 -66.66 0.67 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 10.0 110.285 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . 0.442 ' HA ' ' CA ' ' A' ' 138' ' ' GLY . 95.0 p -83.98 -23.57 30.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 10.0 110.007 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . 0.497 HG23 ' O ' ' A' ' 130' ' ' GLY . 1.2 p -66.65 -16.4 64.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 10.0 110.391 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.502 ' HG3' HG23 ' A' ' 137' ' ' THR . 3.0 pttt -109.06 -46.08 3.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 10.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . 0.502 HG23 ' HG3' ' A' ' 136' ' ' LYS . 19.5 p -117.88 -82.05 0.63 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 10.0 110.408 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . 0.442 ' CA ' ' HA ' ' A' ' 134' ' ' SER . . . 160.85 42.68 0.02 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.498 1.124 . . . . 10.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 39.45 33.07 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 0.766 . . . . 10.0 109.334 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.4 ' N ' ' C ' ' A' ' 138' ' ' GLY . . . -154.49 24.89 0.46 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 10.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . 0.416 ' HA2' ' ND1' ' A' ' 120' ' ' HIS . . . -80.52 81.34 1.58 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.498 1.124 . . . . 10.0 111.027 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . 0.409 ' O ' ' O ' ' A' ' 143' ' ' ARG . 4.9 t -111.3 -14.82 13.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 0.786 . . . . 10.0 109.964 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . 0.409 ' HB3' HG11 ' A' ' 118' ' ' VAL . 6.5 mtm180 60.69 132.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 10.0 110.288 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.639 ' O ' ' HB2' ' A' ' 145' ' ' ALA . 0.4 OUTLIER -170.08 58.44 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 10.0 109.329 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . 0.639 ' HB2' ' O ' ' A' ' 144' ' ' LEU . . . 166.57 149.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 10.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' CYS . . . . . 0.534 ' HB3' HG23 ' A' ' 116' ' ' THR . 9.0 m -155.01 60.51 0.65 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.095 . . . . 10.0 108.304 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . 0.586 ' HA3' HD22 ' A' ' 8' ' ' LEU . . . -43.89 -51.14 7.18 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.483 1.115 . . . . 10.0 111.0 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 2.3 t 65.56 123.88 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.487 0.757 . . . . 10.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' ILE . . . . . 0.943 HG23 ' HB1' ' A' ' 4' ' ' ALA . 1.8 mp -79.01 129.46 37.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 10.0 109.256 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -132.83 152.44 20.31 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.512 1.132 . . . . 10.0 110.941 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . 0.574 HD12 HG21 ' A' ' 2' ' ' THR . 45.3 mm -69.45 133.21 32.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.541 0.789 . . . . 10.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -90.88 174.62 7.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.109 . . . . 10.0 109.315 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 3.7 pp0? . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 10.0 110.243 -179.972 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 22' ' ' GLN . . . . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.329 -0.619 . . . . 10.0 109.329 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.736 HG21 HD12 ' A' ' 151' ' ' ILE . 94.4 m -101.73 112.54 25.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 10.0 110.356 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.749 ' O ' ' HB3' ' A' ' 152' ' ' ALA . 4.6 tttt -87.61 110.35 20.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 10.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.866 ' HB3' ' HB2' ' A' ' 20' ' ' PHE . . . -93.09 167.61 11.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 10.0 109.345 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.639 HG22 ' HB2' ' A' ' 152' ' ' ALA . 0.0 OUTLIER -144.59 141.43 23.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 10.0 109.3 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.955 ' HB3' ' CG1' ' A' ' 18' ' ' ILE . . . -134.56 105.76 6.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 10.0 109.286 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.55 ' O ' HG13 ' A' ' 7' ' ' VAL . 9.3 p -83.59 96.96 4.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 10.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.497 HD13 ' O ' ' A' ' 117' ' ' LEU . 0.3 OUTLIER -43.21 145.24 0.56 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.113 . . . . 10.0 109.238 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 29.2 tttt -166.31 117.51 1.0 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.084 . . . . 10.0 109.346 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 11' ' ' ASP . . . -154.1 -107.55 0.3 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.492 1.12 . . . . 10.0 110.95 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.426 ' C ' ' OD1' ' A' ' 11' ' ' ASP . 3.8 t0 -38.87 -59.19 0.99 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 0.747 . . . . 10.0 109.332 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.483 ' N ' ' CD ' ' A' ' 13' ' ' PRO . . . 165.53 -52.3 0.27 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.45 1.093 . . . . 10.0 111.05 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.483 ' CD ' ' N ' ' A' ' 12' ' ' GLY . 18.4 Cg_endo -74.99 -26.43 10.94 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.498 1.789 . . . . 10.0 111.022 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.634 HG11 ' HB2' ' A' ' 145' ' ' ALA . 34.8 t -66.4 89.07 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 10.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -116.82 31.21 6.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 10.0 110.322 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.482 ' N ' ' HB2' ' A' ' 8' ' ' LEU . . . -46.66 162.54 0.18 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.448 1.092 . . . . 10.0 110.97 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 36.5 mt -140.64 102.87 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 0.769 . . . . 10.0 109.321 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.955 ' CG1' ' HB3' ' A' ' 6' ' ' ALA . 0.8 OUTLIER -96.5 162.02 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 10.0 109.278 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.507 ' N ' HD12 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -142.01 119.46 11.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 10.0 109.288 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.866 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 1.6 m-85 -95.0 108.52 20.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 10.0 111.037 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.09 121.36 44.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.1 . . . . 10.0 110.332 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.428 ' O ' ' N ' ' A' ' 1' ' ' ALA . 5.3 tt0 -123.05 71.92 1.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 10.0 110.323 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.7 mttt -72.12 61.46 0.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.107 . . . . 10.0 109.266 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.504 ' O ' ' CB ' ' A' ' 25' ' ' SER . 0.6 OUTLIER -155.87 -47.03 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 10.0 110.316 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 2.6 t 85.15 -12.52 0.7 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 10.0 110.014 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 41.6 p30 -159.22 26.89 0.2 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 10.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -125.47 -150.67 7.79 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.521 1.138 . . . . 10.0 111.013 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.475 ' HB3' ' CA ' ' A' ' 102' ' ' SER . 18.1 Cg_endo -75.0 165.23 31.75 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.51 1.795 . . . . 10.0 110.984 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.754 ' O ' HG23 ' A' ' 31' ' ' VAL . 43.4 t -113.11 99.18 8.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 10.0 109.273 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.4 mttt -52.62 92.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 10.0 109.277 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.754 HG23 ' O ' ' A' ' 29' ' ' VAL . 97.2 t -84.87 127.07 40.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 10.0 109.299 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.482 ' CD1' ' N ' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -162.46 163.35 27.63 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.979 -1.119 . . . . 10.0 107.979 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.482 ' N ' ' CD1' ' A' ' 32' ' ' TRP . . . 168.74 -164.59 38.19 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.523 1.139 . . . . 10.0 111.006 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 88.0 p -157.2 120.21 4.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 0.776 . . . . 10.0 109.991 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.997 HG21 HD13 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -83.97 167.93 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 10.0 109.286 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.542 ' N ' HG23 ' A' ' 35' ' ' ILE . 15.5 mttt -153.92 115.85 4.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 10.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.472 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 127.23 -39.52 1.93 Allowed Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.543 1.152 . . . . 10.0 111.03 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.997 HD13 HG21 ' A' ' 35' ' ' ILE . 1.0 OUTLIER -52.63 -169.22 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 0.742 . . . . 10.0 109.301 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 70.2 p -128.15 150.61 49.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 10.0 110.435 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.729 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 7.4 pt-20 -57.07 117.59 4.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 10.0 110.31 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 145.9 158.36 7.69 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.452 1.095 . . . . 10.0 111.002 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.837 HD23 ' OG1' ' A' ' 88' ' ' THR . 6.6 mt -51.33 161.34 0.46 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 0.793 . . . . 10.0 109.331 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.471 ' HB2' ' CG2' ' A' ' 87' ' ' VAL . 80.2 m-70 -142.6 175.28 9.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.137 . . . . 10.0 109.605 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.447 ' C ' ' CD1' ' A' ' 45' ' ' PHE . . . -70.34 -131.83 0.08 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.501 1.126 . . . . 10.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.566 ' N ' ' CD1' ' A' ' 45' ' ' PHE . 1.1 m-85 -139.55 174.37 10.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 0.788 . . . . 10.0 111.008 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.605 ' HB2' HD13 ' A' ' 117' ' ' LEU . 0.0 OUTLIER -107.92 174.31 5.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 10.0 109.589 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.448 ' CG1' ' HB3' ' A' ' 64' ' ' PHE . 15.0 t 71.61 126.79 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 10.0 109.309 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.547 ' CG ' ' O ' ' A' ' 48' ' ' HIS . 14.2 p-80 -171.51 97.5 0.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 10.0 109.599 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.428 ' HB3' ' N ' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -37.49 96.65 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.526 1.141 . . . . 10.0 110.36 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 48' ' ' HIS . 0.3 OUTLIER -59.84 141.83 54.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 10.0 110.301 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.49 -50.7 28.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 10.0 110.289 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.6 t70 51.71 98.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.433 1.083 . . . . 10.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -110.53 -8.32 14.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 10.0 109.305 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.674 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 1.4 t -151.75 -49.57 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 10.0 110.354 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.674 ' HB2' ' O ' ' A' ' 54' ' ' THR . . . 163.96 118.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 10.0 109.3 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -176.9 61.12 0.1 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.481 1.113 . . . . 10.0 111.02 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 77.02 122.05 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.272 -1.01 . . . . 10.0 108.272 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 73.3 p -127.9 -157.0 0.78 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 10.0 110.398 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.3 p -170.63 32.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 10.0 109.978 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . 57.52 17.56 3.99 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.121 . . . . 10.0 109.329 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 138.82 77.23 0.06 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.476 1.11 . . . . 10.0 110.994 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 103.77 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.554 1.818 . . . . 10.0 110.959 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.512 ' O ' ' CG ' ' A' ' 63' ' ' HIS . 16.5 t-80 -148.45 33.04 0.79 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 10.0 109.602 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.509 ' CD1' ' HD3' ' A' ' 115' ' ' ARG . 38.3 m-85 -71.86 60.7 0.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 10.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.769 ' HB2' HG23 ' A' ' 81' ' ' VAL . 2.5 t30 -126.67 89.69 51.54 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 10.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.431 ' O ' ' HB2' ' A' ' 67' ' ' LEU . 18.4 Cg_endo -74.94 74.93 3.82 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.507 1.793 . . . . 10.0 110.998 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.431 ' HB2' ' O ' ' A' ' 66' ' ' PRO . 0.3 OUTLIER 79.38 -49.55 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 10.0 109.308 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.49 ' CB ' ' OD1' ' A' ' 65' ' ' ASN . 33.0 t 47.64 -102.17 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 10.0 109.946 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.419 ' CG ' ' O ' ' A' ' 67' ' ' LEU . 1.4 mtt180 73.59 -61.82 0.49 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.135 . . . . 10.0 110.34 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.454 ' CB ' ' HG2' ' A' ' 78' ' ' GLU . 0.0 OUTLIER -128.95 154.37 46.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.573 1.171 . . . . 10.0 109.238 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.465 ' CE1' ' O ' ' A' ' 72' ' ' GLY . 5.4 t60 -39.1 -88.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 10.0 109.617 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.465 ' O ' ' CE1' ' A' ' 71' ' ' HIS . . . 85.7 -163.16 36.6 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.523 1.139 . . . . 10.0 110.978 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 147.04 -103.57 0.27 Allowed Glycine 0 CA--C 1.531 1.036 0 N-CA-C 110.977 -0.849 . . . . 10.0 110.977 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -27.55 9.91 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.536 1.808 . . . . 10.0 111.004 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -63.9 -31.68 72.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 10.0 109.255 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 64.26 11.17 6.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.103 . . . . 10.0 109.29 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -87.8 6.18 36.51 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.495 1.122 . . . . 10.0 110.272 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.454 ' HG2' ' CB ' ' A' ' 70' ' ' LYS . 0.4 OUTLIER -169.63 -168.98 0.85 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 10.0 110.299 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.44 ' O ' ' HA ' ' A' ' 68' ' ' SER . 3.9 mpt_? -139.92 142.77 36.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 10.0 110.28 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.565 ' O ' HG12 ' A' ' 81' ' ' VAL . 70.2 t60 -95.13 47.91 1.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 10.0 109.574 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.769 HG23 ' HB2' ' A' ' 65' ' ' ASN . 14.5 p 47.19 35.42 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 10.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -171.46 -38.44 0.03 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.466 1.103 . . . . 10.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 10.7 t70 49.88 96.07 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 0.757 . . . . 10.0 109.311 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -159.53 -81.61 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 10.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 161.54 168.75 23.88 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.507 1.129 . . . . 10.0 110.997 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.561 ' OD1' ' CE2' ' A' ' 45' ' ' PHE . 0.7 OUTLIER -86.88 148.34 25.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.398 0.705 . . . . 10.0 109.286 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.595 HG11 ' CE1' ' A' ' 46' ' ' HIS . 4.0 m -109.21 177.3 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 10.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.837 ' OG1' HD23 ' A' ' 42' ' ' LEU . 85.7 m -149.9 157.25 42.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 10.0 110.42 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.729 ' HB3' ' HA ' ' A' ' 40' ' ' GLU . . . -99.44 161.03 13.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 10.0 109.267 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.451 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 13.0 t0 -73.74 -97.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 10.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.451 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 8.7 ptmt -138.82 12.63 2.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 10.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -151.08 21.95 0.76 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 10.0 109.257 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.552 ' CA ' ' HB1' ' A' ' 89' ' ' ALA . . . 91.06 -32.11 5.32 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.506 1.129 . . . . 10.0 110.978 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.456 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 57.9 t -44.54 95.09 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.541 0.789 . . . . 10.0 109.344 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.473 ' N ' ' O ' ' A' ' 93' ' ' GLY . . . -98.61 117.89 34.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 10.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.429 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 3.8 p-10 -108.61 146.08 33.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 10.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.461 HG12 ' N ' ' A' ' 98' ' ' SER . 33.3 t -115.17 165.32 10.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 10.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.461 ' N ' HG12 ' A' ' 97' ' ' VAL . 6.4 p 179.66 75.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 10.0 109.996 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.539 HG22 ' N ' ' A' ' 100' ' ' GLU . 8.7 mt -129.21 168.31 22.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 10.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.539 ' N ' HG22 ' A' ' 99' ' ' ILE . 10.7 mp0 -133.06 102.71 5.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 10.0 110.308 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.464 ' O ' ' HA ' ' A' ' 28' ' ' PRO . 11.0 t0 -99.97 111.72 24.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 10.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.475 ' CA ' ' HB3' ' A' ' 28' ' ' PRO . 11.0 p -97.83 61.7 1.58 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 10.0 109.995 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 53.1 t -138.2 -47.41 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 10.0 109.223 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -82.97 -170.96 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 10.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.7 p 179.9 151.25 0.4 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 10.0 109.977 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.77 ' N ' HD23 ' A' ' 106' ' ' LEU . 0.1 OUTLIER -99.9 36.77 1.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 10.0 109.318 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -120.28 176.55 5.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 10.0 110.046 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.58 88.03 0.05 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.466 1.104 . . . . 10.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 165.95 -73.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 0.768 . . . . 10.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 29.4 m80 -108.1 20.35 18.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 10.0 109.568 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 26.2 p -39.02 101.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 10.0 109.983 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.415 ' H ' ' CD1' ' A' ' 112' ' ' ILE . 0.1 OUTLIER -85.32 -8.12 11.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 10.0 109.291 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.4 ' C ' ' O ' ' A' ' 112' ' ' ILE . 40.1 mm -39.81 105.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 10.0 109.337 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 118.13 30.0 1.85 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.509 1.13 . . . . 10.0 110.997 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.509 ' HD3' ' CD1' ' A' ' 64' ' ' PHE . 2.9 mmt-85 -85.07 119.38 25.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 0.746 . . . . 10.0 110.324 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.456 HG23 ' HA ' ' A' ' 146' ' ' CYS . 1.9 m -80.18 95.02 6.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 10.0 110.343 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.605 HD13 ' HB2' ' A' ' 46' ' ' HIS . 2.9 mm? -75.28 94.79 3.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 10.0 109.263 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 145' ' ' ALA . 12.3 p -113.07 171.14 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 10.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.788 HG21 HD11 ' A' ' 38' ' ' LEU . 18.4 m -130.0 -167.62 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 10.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -134.76 154.52 51.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 10.0 109.58 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -57.51 -39.64 76.95 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.526 1.141 . . . . 10.0 110.269 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.56 ' C ' ' HB1' ' A' ' 140' ' ' ALA . 0.0 OUTLIER -130.34 -168.62 2.0 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 10.0 109.289 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.635 ' HB2' ' C ' ' A' ' 42' ' ' LEU . . . -99.31 157.71 16.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 10.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.453 ' OD2' ' NE2' ' A' ' 71' ' ' HIS . 0.4 OUTLIER -83.55 -10.61 58.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 10.0 109.313 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.0 t70 64.81 24.68 12.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.11 . . . . 10.0 109.301 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 13.4 mt 65.21 11.84 7.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.455 1.097 . . . . 10.0 109.334 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 105.7 124.27 5.32 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.493 1.121 . . . . 10.0 111.05 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.478 ' CE ' ' HB3' ' A' ' 139' ' ' ASN . 0.1 OUTLIER -97.87 -38.31 9.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 0.773 . . . . 10.0 109.256 -179.916 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 100.2 11.43 42.37 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.474 1.109 . . . . 10.0 110.928 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -59.18 -150.19 0.01 OUTLIER Glycine 0 CA--C 1.531 1.049 0 N-CA-C 110.977 -0.849 . . . . 10.0 110.977 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . 0.408 ' HA ' HG21 ' A' ' 135' ' ' THR . 7.8 m-80 -145.04 139.8 27.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 0.798 . . . . 10.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 50.29 22.13 0.93 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 10.0 110.345 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -140.71 -75.14 0.33 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 10.0 110.357 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.55 -13.36 59.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 10.0 109.971 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . 0.408 HG21 ' HA ' ' A' ' 131' ' ' ASN . 30.6 p -81.14 -19.93 42.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 10.0 110.385 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.06 -33.08 6.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 10.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 76.9 p -134.0 -97.58 0.27 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 10.0 110.373 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . 0.432 ' C ' ' N ' ' A' ' 140' ' ' ALA . . . -178.72 35.3 0.08 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.496 1.123 . . . . 10.0 111.022 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . 0.478 ' HB3' ' CE ' ' A' ' 128' ' ' LYS . 7.3 t-20 43.54 27.54 0.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 0.762 . . . . 10.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.56 ' HB1' ' C ' ' A' ' 122' ' ' LYS . . . -83.84 -62.53 1.55 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 10.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 176.32 -96.96 0.11 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.487 1.117 . . . . 10.0 110.971 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 6.6 t -173.4 172.98 3.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 0.775 . . . . 10.0 110.007 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . 0.472 ' HB3' HG21 ' A' ' 118' ' ' VAL . 1.6 mpp_? -64.58 159.73 21.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 10.0 110.327 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.466 ' O ' ' HB2' ' A' ' 145' ' ' ALA . 0.7 OUTLIER -170.97 46.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 10.0 109.299 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . 0.634 ' HB2' HG11 ' A' ' 14' ' ' VAL . . . 177.55 155.04 0.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 10.0 109.339 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' CYS . . . . . 0.633 ' SG ' HG23 ' A' ' 148' ' ' VAL . 5.4 t -157.61 61.75 0.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 10.0 108.303 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -49.59 -50.68 30.1 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.523 1.139 . . . . 10.0 110.986 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.633 HG23 ' SG ' ' A' ' 146' ' ' CYS . 3.5 t 64.46 129.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.436 0.727 . . . . 10.0 109.314 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' ILE . . . . . 0.549 HD13 ' HB2' ' A' ' 6' ' ' ALA . 19.4 mm -66.98 140.1 19.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 10.0 109.31 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 151' ' ' ILE . . . -141.14 102.55 0.31 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.48 1.113 . . . . 10.0 110.997 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . 0.736 HD12 HG21 ' A' ' 2' ' ' THR . 17.4 mm -38.82 123.84 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 0.774 . . . . 10.0 109.23 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . 0.749 ' HB3' ' O ' ' A' ' 3' ' ' LYS . . . -84.89 175.37 9.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 10.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 10.0 110.27 -179.956 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' A' ' 22' ' ' GLN . . . . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.333 -0.617 . . . . 10.0 109.333 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.733 HG21 HD12 ' A' ' 151' ' ' ILE . 2.2 m -98.44 111.1 23.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 10.0 110.424 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.971 ' O ' ' HB3' ' A' ' 152' ' ' ALA . 0.1 OUTLIER -86.2 105.03 16.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 10.0 109.3 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.504 ' HB1' HG22 ' A' ' 149' ' ' ILE . . . -89.04 158.27 18.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 10.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.801 HG23 ' HB2' ' A' ' 152' ' ' ALA . 1.8 t -128.7 151.54 35.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 10.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.631 ' HB2' HD13 ' A' ' 149' ' ' ILE . . . -149.29 90.17 1.71 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 10.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.666 HG12 HG23 ' A' ' 17' ' ' ILE . 33.8 m -83.89 108.02 15.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 10.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.683 HD11 ' O ' ' A' ' 117' ' ' LEU . 4.3 mm? -53.87 140.85 29.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 10.0 109.359 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 39.3 pttt -177.12 130.38 0.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 10.0 109.326 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 171.18 -85.2 0.08 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.462 1.101 . . . . 10.0 111.01 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -41.2 -40.93 1.7 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 0.778 . . . . 10.0 109.334 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.402 ' N ' ' CD ' ' A' ' 13' ' ' PRO . . . 126.29 -56.89 0.71 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.508 1.13 . . . . 10.0 111.008 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.402 ' CD ' ' N ' ' A' ' 12' ' ' GLY . 18.3 Cg_endo -74.98 -27.31 10.17 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.441 1.758 . . . . 10.0 110.989 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.444 ' CG1' ' HB2' ' A' ' 145' ' ' ALA . 24.1 t -81.73 109.17 15.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.128 . . . . 10.0 109.349 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -128.65 37.48 4.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.421 1.076 . . . . 10.0 110.315 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.479 ' CA ' ' HB2' ' A' ' 8' ' ' LEU . . . -53.27 167.15 1.36 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.448 1.092 . . . . 10.0 111.004 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.666 HG23 HG12 ' A' ' 7' ' ' VAL . 8.9 mt -145.11 109.72 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.465 0.744 . . . . 10.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.478 HD11 ' CE1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -130.59 142.27 44.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 10.0 109.273 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -122.71 164.57 18.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 10.0 109.302 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.804 ' CD1' HD12 ' A' ' 149' ' ' ILE . 1.7 m-85 -130.3 104.97 7.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 10.0 110.982 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 30' ' ' LYS . 15.9 tt0 -115.67 133.92 55.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 10.0 110.284 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.645 ' OE1' HG22 ' A' ' 29' ' ' VAL . 31.7 tt0 -128.51 59.5 1.53 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 10.0 110.273 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.76 66.31 0.35 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 10.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.518 ' O ' ' CB ' ' A' ' 25' ' ' SER . 0.7 OUTLIER -144.75 -57.0 0.35 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.558 1.161 . . . . 10.0 110.32 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.518 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 2.6 t 86.23 -14.45 0.52 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 10.0 110.013 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 12.1 m-20 -154.09 24.1 0.49 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 10.0 109.292 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -134.0 -171.13 12.5 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.509 1.131 . . . . 10.0 110.989 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.469 ' HA ' ' O ' ' A' ' 101' ' ' ASP . 18.3 Cg_endo -74.98 157.95 42.55 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.547 1.814 . . . . 10.0 110.987 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.645 HG22 ' OE1' ' A' ' 22' ' ' GLN . 47.7 t -87.54 126.85 41.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.102 . . . . 10.0 109.282 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 21' ' ' GLU . 35.0 mttt -78.11 94.77 4.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 10.0 109.306 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.56 HG13 ' CE1' ' A' ' 20' ' ' PHE . 7.9 t -95.84 127.32 48.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.525 1.14 . . . . 10.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.403 ' HA ' ' C ' ' A' ' 97' ' ' VAL . 0.5 OUTLIER -157.31 156.48 32.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 10.0 108.001 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.424 ' O ' ' HA ' ' A' ' 96' ' ' ASP . . . 177.73 -167.69 38.76 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.557 1.161 . . . . 10.0 110.994 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 64.0 p -156.78 121.15 4.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 0.753 . . . . 10.0 109.969 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.689 HG21 HD13 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -84.4 165.37 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 10.0 109.299 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.495 ' CG ' ' O ' ' A' ' 35' ' ' ILE . 18.8 mttt -156.27 114.92 3.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 10.0 109.318 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.44 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 135.91 -48.53 0.92 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.49 1.119 . . . . 10.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.837 HD11 HG21 ' A' ' 119' ' ' VAL . 1.1 mp -53.87 -169.21 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.542 0.789 . . . . 10.0 109.295 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.435 ' O ' ' C ' ' A' ' 40' ' ' GLU . 53.4 p -137.52 145.74 43.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 10.0 110.416 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.757 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -35.83 125.43 0.71 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 10.0 110.292 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 135.04 179.87 16.96 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.551 1.157 . . . . 10.0 110.993 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.57 HD22 HD11 ' A' ' 126' ' ' LEU . 6.9 mp -80.62 155.82 26.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 0.748 . . . . 10.0 109.352 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.703 ' CD2' HD22 ' A' ' 38' ' ' LEU . 90.4 m-70 -150.27 75.8 1.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.098 . . . . 10.0 109.564 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.519 ' HA3' ' CG ' ' A' ' 120' ' ' HIS . . . 35.06 -143.31 0.08 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.51 1.131 . . . . 10.0 111.018 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -152.58 159.56 43.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 0.764 . . . . 10.0 111.003 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.712 ' C ' HG23 ' A' ' 47' ' ' VAL . 2.0 p80 -62.58 174.75 0.92 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 10.0 109.648 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.794 HG12 HG22 ' A' ' 81' ' ' VAL . 1.9 t 77.06 71.89 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 10.0 109.274 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.515 ' CE1' ' NE2' ' A' ' 120' ' ' HIS . 41.7 m80 -146.09 131.66 18.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 10.0 109.589 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -48.58 102.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 10.0 110.279 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -69.7 -39.7 76.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 10.0 110.291 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.496 ' O ' ' CB ' ' A' ' 52' ' ' ASP . 2.2 pt-20 39.0 -97.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 10.0 110.251 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.511 ' OD1' HG22 ' A' ' 54' ' ' THR . 1.2 t0 81.3 146.86 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 10.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 44.1 m-20 -100.77 43.77 1.04 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 10.0 109.251 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.628 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 9.2 t -142.98 -45.79 0.3 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 10.0 110.439 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.628 ' HB2' ' O ' ' A' ' 54' ' ' THR . . . 168.36 -61.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 10.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 128.01 -100.79 0.54 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.482 1.114 . . . . 10.0 111.015 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -172.28 -66.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.296 -1.002 . . . . 10.0 108.296 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.612 HG22 ' N ' ' A' ' 59' ' ' SER . 0.6 OUTLIER -103.79 -65.23 1.03 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 10.0 110.426 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.612 ' N ' HG22 ' A' ' 58' ' ' THR . 1.0 OUTLIER 81.93 88.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 10.0 110.025 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -117.81 -68.73 0.9 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 10.0 109.3 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -143.45 68.12 0.44 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.502 1.127 . . . . 10.0 111.022 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 79.96 2.54 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.517 1.798 . . . . 10.0 111.017 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -140.84 23.21 2.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 10.0 109.584 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.479 ' HB3' HG21 ' A' ' 81' ' ' VAL . 6.2 m-85 -83.2 105.17 13.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 10.0 111.001 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 25.1 m-80 -105.76 153.77 39.77 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 10.0 109.298 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -7.62 19.35 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.51 1.795 . . . . 10.0 110.971 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.541 ' C ' HD12 ' A' ' 67' ' ' LEU . 0.5 OUTLIER -64.42 -23.98 67.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 10.0 109.348 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.434 ' HB3' ' N ' ' A' ' 80' ' ' HIS . 0.8 OUTLIER -66.75 -49.23 66.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 10.0 110.031 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.412 ' HD2' ' CB ' ' A' ' 83' ' ' ASP . 0.2 OUTLIER -90.79 61.29 4.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 10.0 110.273 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.493 ' HG2' ' CB ' ' A' ' 78' ' ' GLU . 0.8 OUTLIER -71.79 104.57 3.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 10.0 109.294 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.567 ' CG ' ' O ' ' A' ' 71' ' ' HIS . 1.3 p-80 55.83 107.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 10.0 109.608 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -161.63 -145.82 4.44 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.521 1.138 . . . . 10.0 111.023 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 113.26 -120.26 5.12 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.009 -0.836 . . . . 10.0 111.009 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 59.04 5.1 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.455 1.766 . . . . 10.0 110.97 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 180.0 -38.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 10.0 109.303 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 62.74 92.52 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 10.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.405 ' HG2' ' NE2' ' A' ' 71' ' ' HIS . 5.2 tp10 -115.52 -14.39 11.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 10.0 110.331 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.554 ' O ' ' CB ' ' A' ' 79' ' ' ARG . 0.3 OUTLIER -166.44 156.47 11.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 10.0 110.303 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.554 ' CB ' ' O ' ' A' ' 78' ' ' GLU . 0.4 OUTLIER 154.38 60.95 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 10.0 110.337 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.434 ' N ' ' HB3' ' A' ' 68' ' ' SER . 0.1 OUTLIER -57.73 -16.56 11.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 10.0 109.611 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.794 HG22 HG12 ' A' ' 47' ' ' VAL . 3.9 p -75.93 -36.28 31.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.15 . . . . 10.0 109.347 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 118.36 11.5 8.04 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.475 1.109 . . . . 10.0 111.033 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.412 ' CB ' ' HD2' ' A' ' 69' ' ' ARG . 0.4 OUTLIER -72.37 103.6 3.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 0.752 . . . . 10.0 109.335 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.97 -77.88 0.07 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 10.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.405 ' O ' ' OD1' ' A' ' 86' ' ' ASN . . . -141.25 -113.85 1.05 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.484 1.115 . . . . 10.0 110.954 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.405 ' OD1' ' O ' ' A' ' 85' ' ' GLY . 4.5 m-20 -146.09 166.64 25.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 0.784 . . . . 10.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' A' ' 42' ' ' LEU . 6.2 m -107.63 -176.74 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 10.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.9 m -151.84 142.65 22.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 10.0 110.422 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.757 ' HB3' ' HA ' ' A' ' 40' ' ' GLU . . . -85.3 162.49 19.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 10.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.439 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 12.2 t0 -71.17 -96.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 10.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.439 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -136.16 8.85 3.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 10.0 109.276 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -157.47 26.31 0.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 10.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.66 ' CA ' ' HB1' ' A' ' 89' ' ' ALA . . . 97.89 -43.85 1.89 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.546 1.154 . . . . 10.0 110.986 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.481 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 20.5 t -38.37 102.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.468 0.746 . . . . 10.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.516 ' HB3' ' HB ' ' A' ' 35' ' ' ILE . . . -103.79 117.1 33.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 10.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.424 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 4.8 p-10 -98.07 150.45 21.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 10.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.403 ' C ' ' HA ' ' A' ' 32' ' ' TRP . 80.2 t -120.52 155.67 23.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 10.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.6 t -179.74 78.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 10.0 110.008 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.519 HG22 ' H ' ' A' ' 100' ' ' GLU . 9.6 mt -136.01 170.59 18.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.418 1.074 . . . . 10.0 109.35 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.519 ' H ' HG22 ' A' ' 99' ' ' ILE . 0.1 OUTLIER -127.15 104.89 8.21 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 10.0 110.278 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.469 ' O ' ' HA ' ' A' ' 28' ' ' PRO . 5.2 m-20 -84.95 111.0 19.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 10.0 109.275 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 83.6 p -91.46 9.88 30.03 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.532 1.145 . . . . 10.0 110.012 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.458 HG12 ' N ' ' A' ' 104' ' ' ILE . 25.4 t -104.41 -80.88 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.093 . . . . 10.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.458 ' N ' HG12 ' A' ' 103' ' ' VAL . 2.8 pp -53.99 164.31 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 10.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.656 ' O ' HG23 ' A' ' 112' ' ' ILE . 0.3 OUTLIER -170.49 172.34 6.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 10.0 110.044 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.581 HD22 ' HB ' ' A' ' 2' ' ' THR . 3.5 mp -97.8 40.73 1.15 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 10.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 25.2 m -111.22 169.67 8.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 10.0 110.015 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -78.05 52.98 3.73 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.511 1.132 . . . . 10.0 110.983 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -153.12 -51.91 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 0.765 . . . . 10.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.404 ' O ' ' O ' ' A' ' 111' ' ' SER . 25.4 m80 -95.6 -52.43 4.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 10.0 109.574 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.404 ' O ' ' O ' ' A' ' 110' ' ' HIS . 1.0 OUTLIER 54.74 106.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 10.0 110.021 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.786 HD12 ' CD2' ' A' ' 20' ' ' PHE . 0.6 OUTLIER -86.16 -34.64 8.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.163 . . . . 10.0 109.3 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 22.6 mm -41.17 130.9 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 10.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 93.96 -0.2 66.72 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.512 1.133 . . . . 10.0 110.976 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 2.6 mmm180 -92.11 59.26 3.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 0.745 . . . . 10.0 110.353 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.649 HG23 HG13 ' A' ' 118' ' ' VAL . 5.8 t -46.0 152.13 0.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 10.0 110.379 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.683 ' O ' HD11 ' A' ' 8' ' ' LEU . 0.7 OUTLIER -104.6 61.59 0.71 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 10.0 109.339 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.649 HG13 HG23 ' A' ' 116' ' ' THR . 22.0 m -71.32 171.7 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 10.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.837 HG21 HD11 ' A' ' 38' ' ' LEU . 5.5 m -141.43 158.51 22.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 10.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.519 ' CG ' ' HA3' ' A' ' 44' ' ' GLY . 7.6 m170 -84.97 169.8 13.67 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.465 1.103 . . . . 10.0 109.606 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.462 ' HA ' HD11 ' A' ' 144' ' ' LEU . 0.2 OUTLIER -81.65 -22.6 37.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 10.0 110.299 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.507 ' HB3' ' HB1' ' A' ' 140' ' ' ALA . 3.3 tmtt? -155.48 163.47 39.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 10.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -49.96 169.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 10.0 109.283 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.486 ' CB ' ' HA3' ' A' ' 138' ' ' GLY . 4.7 p-10 169.7 82.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 10.0 109.239 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 126' ' ' LEU . 0.2 OUTLIER 179.1 -41.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 10.0 109.321 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.57 HD11 HD22 ' A' ' 42' ' ' LEU . 0.3 OUTLIER -38.76 -54.75 1.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 10.0 109.302 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 117.76 74.1 0.48 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.516 1.135 . . . . 10.0 111.042 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 1.4 pttm -55.17 -23.57 22.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 0.779 . . . . 10.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 161.26 -28.67 0.3 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.51 1.131 . . . . 10.0 110.992 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 102.03 111.6 3.5 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.976 -0.85 . . . . 10.0 110.976 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . 0.545 ' O ' ' N ' ' A' ' 135' ' ' THR . 0.7 OUTLIER -145.88 151.26 37.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 0.754 . . . . 10.0 109.357 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -38.64 -29.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 10.0 110.347 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 131' ' ' ASN . 0.0 OUTLIER -90.01 -52.0 5.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 10.0 110.308 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . 0.425 ' HA ' ' N ' ' A' ' 138' ' ' GLY . 2.3 t -64.13 -51.15 65.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 10.0 109.963 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . 0.545 ' N ' ' O ' ' A' ' 131' ' ' ASN . 0.6 OUTLIER -45.16 -24.86 0.29 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 10.0 110.443 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.403 ' N ' ' C ' ' A' ' 134' ' ' SER . 0.6 OUTLIER -103.16 -30.26 10.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 10.0 109.306 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . 0.415 ' N ' ' O ' ' A' ' 134' ' ' SER . 75.9 p -137.41 -100.47 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 10.0 110.34 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . 0.486 ' HA3' ' CB ' ' A' ' 124' ' ' ASP . . . 173.17 39.64 0.04 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.511 1.132 . . . . 10.0 111.011 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 34.0 t-20 57.88 18.55 5.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 0.793 . . . . 10.0 109.274 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.507 ' HB1' ' HB3' ' A' ' 122' ' ' LYS . . . -155.14 68.83 0.7 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.429 1.08 . . . . 10.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -108.79 94.14 0.83 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.481 1.113 . . . . 10.0 111.023 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -151.5 78.39 1.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 0.785 . . . . 10.0 110.015 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . 0.62 ' O ' HD23 ' A' ' 144' ' ' LEU . 0.0 OUTLIER -44.99 157.76 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 10.0 110.33 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.62 HD23 ' O ' ' A' ' 143' ' ' ARG . 17.4 mt -144.75 154.0 42.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 10.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . 0.517 ' O ' HG12 ' A' ' 118' ' ' VAL . . . 54.88 168.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 10.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' CYS . . . . . 0.503 ' HA ' HG12 ' A' ' 118' ' ' VAL . 32.0 p -155.48 71.21 0.76 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.49 1.119 . . . . 10.0 108.254 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . 0.433 ' H ' HD13 ' A' ' 8' ' ' LEU . . . -51.59 -54.41 24.7 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.471 1.107 . . . . 10.0 110.986 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.531 HG22 ' HB ' ' A' ' 116' ' ' THR . 45.0 t 66.08 129.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.574 0.808 . . . . 10.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' ILE . . . . . 0.804 HD12 ' CD1' ' A' ' 20' ' ' PHE . 8.4 mm -78.73 120.44 29.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.119 . . . . 10.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -123.92 126.1 6.06 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.496 1.123 . . . . 10.0 110.995 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . 0.733 HD12 HG21 ' A' ' 2' ' ' THR . 19.2 mm -47.62 141.11 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.531 0.783 . . . . 10.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . 0.971 ' HB3' ' O ' ' A' ' 3' ' ' LYS . . . -138.31 170.81 15.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.159 . . . . 10.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 10.0 110.33 -179.997 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.252 -0.648 . . . . 10.0 109.252 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.428 ' CG2' HD22 ' A' ' 106' ' ' LEU . 8.5 m -95.8 96.25 8.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 10.0 110.371 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.405 ' HA ' ' O ' ' A' ' 20' ' ' PHE . 5.9 ttmt -103.8 110.78 23.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 10.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.638 ' HB1' HG22 ' A' ' 149' ' ' ILE . . . -114.78 170.3 8.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 10.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.633 HG22 ' HB2' ' A' ' 152' ' ' ALA . 0.0 OUTLIER -149.86 164.18 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 10.0 109.292 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.637 ' HB1' ' C ' ' A' ' 147' ' ' GLY . . . -150.89 106.29 3.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 10.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 73.2 t -84.36 91.04 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.122 . . . . 10.0 109.271 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.511 HD21 ' CG2' ' A' ' 18' ' ' ILE . 0.2 OUTLIER -42.11 138.37 1.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 10.0 109.242 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.8 tttt -178.17 127.41 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.113 . . . . 10.0 109.296 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 175.07 -92.56 0.09 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.473 1.108 . . . . 10.0 111.013 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -41.29 -56.73 2.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 0.734 . . . . 10.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.429 ' N ' ' CD ' ' A' ' 13' ' ' PRO . . . 151.69 -54.84 0.46 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.511 1.132 . . . . 10.0 111.034 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.461 ' O ' ' N ' ' A' ' 15' ' ' GLN . 18.3 Cg_endo -75.0 -56.1 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.479 1.779 . . . . 10.0 111.016 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 57.9 t -56.04 87.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 10.0 109.352 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' A' ' 13' ' ' PRO . 0.0 OUTLIER -132.09 52.51 2.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 10.0 110.325 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.424 ' N ' ' HB2' ' A' ' 8' ' ' LEU . . . -82.92 -168.45 42.9 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.52 1.137 . . . . 10.0 111.03 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.419 HG13 ' C ' ' A' ' 16' ' ' GLY . 71.4 mt -141.86 117.57 6.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 0.772 . . . . 10.0 109.255 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.979 HD12 ' N ' ' A' ' 19' ' ' ASN . 0.1 OUTLIER -113.0 129.56 68.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 10.0 109.31 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.979 ' N ' HD12 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -111.99 141.85 45.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 10.0 109.272 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.787 ' CZ ' HG11 ' A' ' 31' ' ' VAL . 1.9 m-85 -118.45 109.69 16.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.084 . . . . 10.0 110.985 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.479 ' HB2' ' CH2' ' A' ' 32' ' ' TRP . 1.7 tt0 -113.29 143.1 45.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 10.0 110.283 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.629 ' HG3' HG22 ' A' ' 29' ' ' VAL . 7.2 tt0 -155.65 77.78 0.98 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 10.0 110.311 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.0 mtpt -72.82 59.28 0.48 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 10.0 109.303 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.484 ' O ' ' CB ' ' A' ' 25' ' ' SER . 0.0 OUTLIER -155.62 -50.1 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 10.0 110.297 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.484 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 0.6 OUTLIER 84.35 -9.73 0.91 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.157 . . . . 10.0 110.037 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -161.09 28.05 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 10.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -131.94 -146.28 5.69 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.527 1.142 . . . . 10.0 110.993 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 136.01 19.81 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.519 1.799 . . . . 10.0 110.993 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.629 HG22 ' HG3' ' A' ' 22' ' ' GLN . 94.3 t -102.33 113.62 39.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 10.0 109.247 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 21' ' ' GLU . 15.2 mttt -79.52 95.11 5.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 10.0 109.258 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.787 HG11 ' CZ ' ' A' ' 20' ' ' PHE . 0.9 OUTLIER -101.39 132.58 46.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.565 1.166 . . . . 10.0 109.313 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.479 ' CH2' ' HB2' ' A' ' 21' ' ' GLU . 23.8 p90 -156.53 148.0 22.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 10.0 107.957 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.407 ' O ' ' HA ' ' A' ' 96' ' ' ASP . . . -166.61 -168.92 29.52 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.523 1.139 . . . . 10.0 110.978 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 65.7 p -155.89 120.19 4.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 0.739 . . . . 10.0 109.974 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.471 ' HB ' ' HB3' ' A' ' 95' ' ' ALA . 1.3 mp -87.78 159.86 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.143 . . . . 10.0 109.278 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.42 ' O ' ' O ' ' A' ' 13' ' ' PRO . 14.9 mttt -143.07 109.51 5.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 10.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.44 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 130.47 -26.12 4.16 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.484 1.115 . . . . 10.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.557 HD22 ' CD2' ' A' ' 43' ' ' HIS . 3.1 mt -55.21 -164.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 0.765 . . . . 10.0 109.279 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 41' ' ' GLY . 2.3 p -149.32 142.99 25.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 10.0 110.373 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.555 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 28.0 tt0 -43.44 95.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 10.0 110.31 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 39' ' ' THR . . . 165.48 177.93 38.18 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.44 1.088 . . . . 10.0 110.985 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.828 ' O ' ' HB2' ' A' ' 123' ' ' ALA . 2.1 mp -89.27 146.77 24.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 0.784 . . . . 10.0 109.345 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.557 ' CD2' HD22 ' A' ' 38' ' ' LEU . 2.7 m-70 -155.37 130.94 9.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 10.0 109.619 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.425 ' N ' ' HB2' ' A' ' 120' ' ' HIS . . . -42.36 154.96 0.13 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.474 1.109 . . . . 10.0 111.036 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.604 ' HB3' ' CD2' ' A' ' 46' ' ' HIS . 0.0 OUTLIER -164.36 144.23 7.72 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 0.769 . . . . 10.0 111.03 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.737 ' CE1' HD13 ' A' ' 117' ' ' LEU . 0.2 OUTLIER 56.94 159.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 10.0 109.637 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.571 HG23 ' C ' ' A' ' 46' ' ' HIS . 0.0 OUTLIER 49.91 176.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.54 1.15 . . . . 10.0 109.292 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.557 ' CG ' ' O ' ' A' ' 47' ' ' VAL . 4.6 m170 90.98 84.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 10.0 109.558 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.46 ' HA ' ' CG ' ' A' ' 62' ' ' PRO . 5.0 tt0 -43.11 106.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 10.0 110.288 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.23 -168.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 10.0 110.276 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.16 -59.99 2.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 10.0 110.3 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.03 -179.67 5.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 10.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -121.85 24.09 9.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 10.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.516 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 6.9 t -142.59 -47.78 0.33 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.157 . . . . 10.0 110.392 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.516 ' HB3' ' O ' ' A' ' 54' ' ' THR . . . 72.04 -58.23 0.59 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 10.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 100.03 63.96 0.81 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.478 1.111 . . . . 10.0 110.97 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 9.9 p -167.0 -52.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.277 -1.009 . . . . 10.0 108.277 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -150.63 -167.35 2.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 10.0 110.397 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.539 ' HB2' HG11 ' A' ' 148' ' ' VAL . 1.1 m -69.67 64.34 0.19 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 10.0 109.979 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.78 89.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 10.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -139.47 112.06 0.81 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.495 1.122 . . . . 10.0 110.987 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.46 ' CG ' ' HA ' ' A' ' 49' ' ' GLU . 18.2 Cg_endo -74.99 179.1 6.41 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.476 1.777 . . . . 10.0 111.011 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.544 ' O ' ' CG ' ' A' ' 64' ' ' PHE . 81.7 t60 -83.64 -59.48 2.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 10.0 109.619 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.544 ' CG ' ' O ' ' A' ' 63' ' ' HIS . 0.3 OUTLIER 160.27 -167.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 10.0 111.016 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.895 ' HB3' HG23 ' A' ' 81' ' ' VAL . 6.6 p-10 -132.83 88.88 36.35 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.147 . . . . 10.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.415 ' O ' ' HB2' ' A' ' 67' ' ' LEU . 18.3 Cg_endo -75.07 90.13 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.474 1.776 . . . . 10.0 110.966 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.593 HD12 ' CD ' ' A' ' 69' ' ' ARG . 0.2 OUTLIER 79.9 -50.8 0.38 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.141 . . . . 10.0 109.301 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.448 ' O ' ' CB ' ' A' ' 69' ' ' ARG . 8.0 p 53.28 -91.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 10.0 110.028 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.593 ' CD ' HD12 ' A' ' 67' ' ' LEU . 3.9 mtp180 80.93 -51.48 0.31 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 10.0 110.283 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.501 ' CB ' ' O ' ' A' ' 69' ' ' ARG . 7.5 pttt 88.75 168.37 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 10.0 109.319 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.514 ' O ' ' CD2' ' A' ' 71' ' ' HIS . 0.0 OUTLIER 78.97 6.3 2.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 10.0 109.615 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.445 ' N ' ' OE1' ' A' ' 78' ' ' GLU . . . -71.16 -168.96 8.92 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.512 1.132 . . . . 10.0 111.049 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.634 ' C ' HD13 ' A' ' 126' ' ' LEU . . . -115.05 -127.39 4.29 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.023 -0.831 . . . . 10.0 111.023 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.458 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 18.1 Cg_endo -75.02 -52.98 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.537 1.809 . . . . 10.0 110.977 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.462 ' O ' ' CD ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER 167.11 88.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 10.0 109.328 -179.938 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 168.18 -40.78 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 10.0 109.319 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -86.64 1.38 52.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 10.0 110.305 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.445 ' OE1' ' N ' ' A' ' 72' ' ' GLY . 0.5 OUTLIER -176.14 -170.11 0.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 10.0 110.298 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.494 ' O ' ' CA ' ' A' ' 83' ' ' ASP . 13.1 mmt-85 -115.21 -37.24 4.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 10.0 110.263 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.697 ' O ' ' C ' ' A' ' 81' ' ' VAL . 1.2 t-80 48.25 98.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 10.0 109.568 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.895 HG23 ' HB3' ' A' ' 65' ' ' ASN . 7.3 p -9.06 89.4 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 10.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 80' ' ' HIS . . . 92.65 62.96 1.12 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.537 1.148 . . . . 10.0 111.029 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.494 ' CA ' ' O ' ' A' ' 79' ' ' ARG . 0.0 OUTLIER -62.81 140.68 58.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 0.768 . . . . 10.0 109.252 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.405 ' HG ' ' N ' ' A' ' 85' ' ' GLY . 38.2 tp -177.98 -92.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 10.0 109.331 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.405 ' N ' ' HG ' ' A' ' 84' ' ' LEU . . . 176.51 -154.95 17.71 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.518 1.137 . . . . 10.0 111.0 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -143.18 171.78 13.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 0.772 . . . . 10.0 109.294 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.431 ' C ' ' HG1' ' A' ' 88' ' ' THR . 3.0 m -118.2 -166.22 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 10.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.431 ' HG1' ' C ' ' A' ' 87' ' ' VAL . 42.1 m -155.23 145.01 21.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 10.0 110.416 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.555 ' HB3' ' HA ' ' A' ' 40' ' ' GLU . . . -85.08 164.94 17.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.56 1.162 . . . . 10.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.437 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 16.0 t0 -74.57 -98.64 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.456 1.098 . . . . 10.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.437 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 0.5 OUTLIER -137.49 10.04 2.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 10.0 109.296 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -148.6 19.91 1.04 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 10.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.546 ' CA ' ' HB1' ' A' ' 89' ' ' ALA . . . 95.29 -35.52 4.24 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.512 1.133 . . . . 10.0 111.04 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.464 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 25.6 t -41.39 103.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.52 0.776 . . . . 10.0 109.331 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.471 ' HB3' ' HB ' ' A' ' 35' ' ' ILE . . . -103.45 113.45 26.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 10.0 109.305 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.407 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 3.6 p-10 -110.02 148.42 31.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 10.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.419 ' CG1' HD12 ' A' ' 99' ' ' ILE . 36.3 t -117.29 161.26 16.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.09 . . . . 10.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.402 ' H ' HD12 ' A' ' 99' ' ' ILE . 0.3 OUTLIER -177.24 75.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 10.0 109.973 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.478 HG22 ' N ' ' A' ' 100' ' ' GLU . 3.6 mp -130.38 164.3 33.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 10.0 109.34 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.478 ' N ' HG22 ' A' ' 99' ' ' ILE . 1.4 mt-10 -122.48 94.58 4.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 10.0 110.306 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -85.84 122.74 30.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 10.0 109.259 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 71.2 p -103.33 -41.02 6.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.102 . . . . 10.0 110.003 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 65.0 t -42.97 -75.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 10.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.702 HD12 ' C ' ' A' ' 104' ' ' ILE . 1.8 pp -52.21 -179.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.107 . . . . 10.0 109.327 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -171.04 157.67 5.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 10.0 110.018 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.91 HD23 HG12 ' A' ' 113' ' ' ILE . 1.8 mp -99.07 46.07 0.99 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 10.0 109.36 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 109' ' ' ASP . 0.6 OUTLIER -143.19 179.08 7.28 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 10.0 109.935 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.03 80.6 0.02 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.44 1.088 . . . . 10.0 111.044 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 107' ' ' SER . 2.9 m-20 -179.07 -67.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 0.745 . . . . 10.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.411 ' CB ' ' HA ' ' A' ' 104' ' ' ILE . 11.8 m80 -127.29 37.2 4.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 10.0 109.619 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 87.3 p -39.22 106.51 0.05 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 10.0 110.022 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.481 HG23 ' HB ' ' A' ' 104' ' ' ILE . 6.3 pt -84.95 -35.38 9.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 10.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.91 HG12 HD23 ' A' ' 106' ' ' LEU . 3.0 mm -41.73 112.32 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 10.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 122.43 4.84 8.86 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.494 1.121 . . . . 10.0 111.005 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.512 ' O ' ' CD2' ' A' ' 117' ' ' LEU . 4.2 mmm-85 -86.24 72.28 10.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 0.787 . . . . 10.0 110.295 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.636 HG23 HG13 ' A' ' 118' ' ' VAL . 14.5 t -38.06 148.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 10.0 110.392 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.737 HD13 ' CE1' ' A' ' 46' ' ' HIS . 0.1 OUTLIER -103.52 75.8 1.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 10.0 109.295 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 1.056 HG12 ' O ' ' A' ' 145' ' ' ALA . 33.8 m -93.88 125.75 46.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 10.0 109.303 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.579 HG22 ' CZ ' ' A' ' 45' ' ' PHE . 4.3 t -89.6 168.36 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 10.0 109.313 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.435 ' H ' HG12 ' A' ' 119' ' ' VAL . 1.0 OUTLIER -113.25 142.92 45.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 10.0 109.556 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.413 ' CB ' ' HA3' ' A' ' 141' ' ' GLY . 1.6 tt0 -50.84 -29.01 10.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 10.0 110.316 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -156.84 -176.62 6.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.138 . . . . 10.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.828 ' HB2' ' O ' ' A' ' 42' ' ' LEU . . . -81.72 173.13 12.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 10.0 109.292 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -117.3 94.47 4.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 10.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -52.23 -22.59 4.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 10.0 109.306 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.634 HD13 ' C ' ' A' ' 73' ' ' GLY . 9.5 mt 60.5 14.78 5.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 10.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -93.05 -127.45 4.48 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.475 1.109 . . . . 10.0 110.995 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -142.95 43.13 1.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 0.746 . . . . 10.0 109.265 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -80.13 49.89 3.85 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.499 1.124 . . . . 10.0 110.986 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 152.69 -156.13 26.53 Favored Glycine 0 CA--C 1.531 1.04 0 N-CA-C 110.977 -0.849 . . . . 10.0 110.977 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -151.36 126.22 9.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 0.779 . . . . 10.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 69.75 6.74 5.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 10.0 110.265 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -130.27 -67.37 0.74 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.159 . . . . 10.0 110.291 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 58.4 m -73.94 -20.15 60.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 10.0 110.011 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 82.8 p -70.82 -20.52 62.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 10.0 110.419 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.87 ' HG3' HG23 ' A' ' 137' ' ' THR . 2.2 pttt -106.92 -34.05 7.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 10.0 109.265 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . 0.87 HG23 ' HG3' ' A' ' 136' ' ' LYS . 31.7 p -122.97 -89.31 0.6 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 10.0 110.432 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 156.5 46.27 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.429 1.081 . . . . 10.0 110.983 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 64.24 14.28 8.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 0.768 . . . . 10.0 109.286 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -47.1 -68.99 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 10.0 109.343 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . 0.413 ' HA3' ' CB ' ' A' ' 121' ' ' GLU . . . 148.28 -96.27 0.17 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.507 1.129 . . . . 10.0 111.006 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . 0.577 ' O ' HD23 ' A' ' 144' ' ' LEU . 1.1 t -163.6 161.83 24.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 0.768 . . . . 10.0 109.998 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.81 123.2 25.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 10.0 110.308 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.693 ' O ' ' HB3' ' A' ' 145' ' ' ALA . 0.4 OUTLIER -123.6 148.39 46.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.45 1.094 . . . . 10.0 109.283 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . 1.056 ' O ' HG12 ' A' ' 118' ' ' VAL . . . 83.77 168.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 10.0 109.349 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' CYS . . . . . 0.409 ' HA ' ' OG1' ' A' ' 116' ' ' THR . 26.1 p -155.86 71.34 0.74 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 10.0 108.344 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . 0.637 ' C ' ' HB1' ' A' ' 6' ' ' ALA . . . -83.62 64.61 4.27 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.515 1.134 . . . . 10.0 111.036 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.539 HG11 ' HB2' ' A' ' 59' ' ' SER . 41.6 t -62.46 121.31 10.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.517 0.775 . . . . 10.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' ILE . . . . . 0.697 ' H ' HD12 ' A' ' 149' ' ' ILE . 3.8 mp -68.91 114.68 6.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 10.0 109.292 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -122.69 138.55 11.91 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.537 1.148 . . . . 10.0 110.993 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 25.3 mm -46.99 137.29 2.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.522 0.778 . . . . 10.0 109.283 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . 0.633 ' HB2' HG22 ' A' ' 5' ' ' VAL . . . -96.1 168.79 10.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 10.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 10.0 110.294 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.734 ' HB3' ' HA ' ' A' ' 23' ' ' LYS . . . . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.283 -0.636 . . . . 10.0 109.283 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.549 HG23 ' CD1' ' A' ' 151' ' ' ILE . 2.2 m -126.93 136.52 52.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 10.0 110.391 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.7 ttmt -156.05 89.98 1.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 10.0 109.325 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.852 ' HB3' ' HB2' ' A' ' 20' ' ' PHE . . . -84.48 161.76 20.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 10.0 109.274 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.6 t -146.29 158.87 11.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 10.0 109.242 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.809 ' HB1' ' O ' ' A' ' 147' ' ' GLY . . . -155.12 92.67 1.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 10.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 7' ' ' VAL . 27.3 m -82.88 107.58 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 10.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.548 HD22 ' HA3' ' A' ' 147' ' ' GLY . 1.6 mm? -53.11 159.92 1.14 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 10.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.494 ' CB ' ' O ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER 163.93 106.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 10.0 109.274 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -156.38 -89.58 0.07 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.469 1.106 . . . . 10.0 110.976 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.907 ' HB2' HD12 ' A' ' 144' ' ' LEU . 31.7 t0 -43.23 -65.5 0.48 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 0.78 . . . . 10.0 109.257 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 170.17 -62.79 0.17 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.484 1.115 . . . . 10.0 111.03 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.456 ' O ' ' N ' ' A' ' 15' ' ' GLN . 18.1 Cg_endo -75.03 -40.64 0.83 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.478 1.778 . . . . 10.0 110.981 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.638 ' O ' HG12 ' A' ' 14' ' ' VAL . 2.2 t -53.62 90.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 10.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 13' ' ' PRO . 0.0 OUTLIER -119.82 45.29 2.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 10.0 110.278 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.492 ' N ' ' HB2' ' A' ' 8' ' ' LEU . . . -56.6 164.34 5.6 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.515 1.134 . . . . 10.0 111.02 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 55.0 mt -141.37 101.35 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.488 0.758 . . . . 10.0 109.313 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.991 HD12 ' N ' ' A' ' 19' ' ' ASN . 0.1 OUTLIER -110.62 130.79 63.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 10.0 109.331 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.991 ' N ' HD12 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -122.17 146.77 46.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 10.0 109.329 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.852 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 2.8 m-85 -113.62 134.09 54.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 10.0 110.987 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.407 ' O ' ' HA ' ' A' ' 29' ' ' VAL . 12.6 mm-40 -124.91 128.97 49.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 10.0 110.261 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.528 ' OE1' HG21 ' A' ' 2' ' ' THR . 1.3 tt0 -155.13 60.0 0.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 10.0 110.325 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.734 ' HA ' ' HB3' ' A' ' 1' ' ' ALA . 10.0 mttt -76.94 65.71 2.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 10.0 109.307 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.512 ' O ' ' CB ' ' A' ' 25' ' ' SER . 0.0 OUTLIER -152.59 -45.28 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 10.0 110.313 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.512 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 1.6 t 85.77 -14.18 0.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 10.0 110.019 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 17.4 p30 -154.79 24.18 0.45 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 10.0 109.32 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -118.74 -159.24 11.03 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.498 1.124 . . . . 10.0 111.006 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.434 ' HA ' ' O ' ' A' ' 101' ' ' ASP . 18.2 Cg_endo -75.02 166.37 29.33 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.481 1.779 . . . . 10.0 111.003 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.462 ' O ' HG23 ' A' ' 31' ' ' VAL . 13.2 t -123.47 89.51 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 10.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.5 mttt -60.53 93.32 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 10.0 109.253 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 29' ' ' VAL . 55.2 t -96.6 128.93 47.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 10.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 3.2 p90 -157.18 144.02 18.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 10.0 107.999 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -158.79 -171.63 24.86 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.501 1.126 . . . . 10.0 111.027 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.4 p -156.94 122.29 4.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 0.748 . . . . 10.0 109.979 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.691 ' HB ' ' HB3' ' A' ' 95' ' ' ALA . 1.1 mp -85.11 160.38 3.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 10.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.449 ' HG2' ' O ' ' A' ' 35' ' ' ILE . 22.1 mttt -147.37 92.87 2.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 10.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.44 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 153.4 -36.54 0.75 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.473 1.108 . . . . 10.0 110.991 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.561 ' CD2' HG22 ' A' ' 14' ' ' VAL . 0.4 OUTLIER -53.63 -168.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 0.739 . . . . 10.0 109.31 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 40' ' ' GLU . 4.8 p -144.34 131.51 20.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 10.0 110.403 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.739 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 5.3 pt-20 -37.45 110.12 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 10.0 110.341 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 153.05 161.14 10.11 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.489 1.118 . . . . 10.0 111.007 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.76 164.04 0.62 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 0.763 . . . . 10.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.401 ' N ' ' O ' ' A' ' 87' ' ' VAL . 95.6 m-70 -149.37 155.77 41.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 10.0 109.573 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.481 ' CA ' ' HB2' ' A' ' 120' ' ' HIS . . . -59.31 -152.63 0.01 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.469 1.105 . . . . 10.0 110.962 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.597 ' CE2' ' OD1' ' A' ' 86' ' ' ASN . 4.5 m-85 -107.74 161.14 15.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 0.775 . . . . 10.0 111.0 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.736 ' C ' HG23 ' A' ' 47' ' ' VAL . 0.2 OUTLIER -106.2 176.36 5.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 10.0 109.558 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.736 HG23 ' C ' ' A' ' 46' ' ' HIS . 2.6 t 84.35 126.37 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 10.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.981 ' CD2' HG21 ' A' ' 118' ' ' VAL . 0.3 OUTLIER -163.29 135.73 5.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 10.0 109.573 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.553 ' HA ' ' CG ' ' A' ' 64' ' ' PHE . 5.3 tt0 63.03 90.34 0.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 10.0 110.336 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -44.51 117.14 1.19 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 10.0 110.319 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 69.77 -77.88 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 10.0 110.298 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.606 ' OD2' ' HB2' ' A' ' 55' ' ' ALA . 4.4 t0 72.84 151.17 0.11 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 10.0 109.276 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -113.73 -10.02 13.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 10.0 109.313 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.519 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 9.6 t -155.25 -49.63 0.08 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.102 . . . . 10.0 110.419 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.606 ' HB2' ' OD2' ' A' ' 52' ' ' ASP . . . 72.18 -58.49 0.59 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 10.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 104.59 -40.01 2.62 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.524 1.14 . . . . 10.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 1.349 ' SG ' ' SG ' ' A' ' 146' ' ' CYS . 1.6 m 59.52 53.82 4.9 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.298 -1.001 . . . . 10.0 108.298 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 55.7 p -114.12 -140.37 0.38 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 10.0 110.389 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.81 92.54 2.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 10.0 110.015 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -135.43 -70.4 0.49 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 10.0 109.269 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 139.16 88.99 0.18 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.501 1.125 . . . . 10.0 110.988 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 137.41 21.67 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.536 1.808 . . . . 10.0 110.994 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -119.51 68.66 0.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 10.0 109.615 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.553 ' CG ' ' HA ' ' A' ' 49' ' ' GLU . 5.1 m-85 -113.41 46.09 1.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 10.0 110.987 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.528 ' HA ' HG12 ' A' ' 81' ' ' VAL . 2.2 p-10 -155.61 77.19 4.77 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 10.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.471 ' HD2' HG11 ' A' ' 81' ' ' VAL . 18.3 Cg_endo -74.97 -48.64 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.525 1.803 . . . . 10.0 111.031 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.676 ' HB2' HG21 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -52.71 -40.76 63.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 10.0 109.296 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.445 ' O ' ' HB2' ' A' ' 69' ' ' ARG . 27.5 t -61.4 -27.83 68.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 10.0 109.974 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.526 ' O ' ' CG ' ' A' ' 70' ' ' LYS . 20.3 mtp180 68.74 -62.58 0.38 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 10.0 110.296 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.526 ' CG ' ' O ' ' A' ' 69' ' ' ARG . 3.6 mttt 177.83 -98.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 10.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.43 ' CD2' ' C ' ' A' ' 71' ' ' HIS . 2.1 t60 -49.56 121.62 5.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 10.0 109.602 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -173.55 147.45 9.51 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.528 1.142 . . . . 10.0 110.99 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.45 ' O ' ' NH2' ' A' ' 79' ' ' ARG . . . 145.77 -95.28 0.17 Allowed Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.971 -0.852 . . . . 10.0 110.971 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -59.2 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.515 1.797 . . . . 10.0 110.989 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.9 mtpt -62.84 -26.82 68.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 10.0 109.281 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.453 ' OD1' ' NH2' ' A' ' 79' ' ' ARG . 0.0 OUTLIER 49.73 89.72 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.135 . . . . 10.0 109.287 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -115.53 -18.33 10.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 10.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.459 ' HG3' ' CG ' ' A' ' 69' ' ' ARG . 64.3 mm-40 -154.25 -91.58 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.486 1.116 . . . . 10.0 110.278 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.49 ' O ' ' CB ' ' A' ' 80' ' ' HIS . 0.6 OUTLIER 38.93 -158.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 10.0 110.295 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.49 ' CB ' ' O ' ' A' ' 79' ' ' ARG . 1.2 t-160 87.58 -8.68 0.59 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 10.0 109.562 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.676 HG21 ' HB2' ' A' ' 67' ' ' LEU . 4.5 t -139.83 90.68 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 10.0 109.256 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 101.71 -77.24 0.36 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.468 1.105 . . . . 10.0 110.999 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -50.05 160.9 0.3 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 0.775 . . . . 10.0 109.306 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.514 HD13 ' N ' ' A' ' 85' ' ' GLY . 3.3 tm? -142.85 -82.96 0.18 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.514 1.134 . . . . 10.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.514 ' N ' HD13 ' A' ' 84' ' ' LEU . . . -163.21 171.79 39.03 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.507 1.129 . . . . 10.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.597 ' OD1' ' CE2' ' A' ' 45' ' ' PHE . 48.8 m-20 -92.64 129.83 38.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 0.753 . . . . 10.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.741 HG21 HG12 ' A' ' 119' ' ' VAL . 14.0 m -98.24 169.41 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 10.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 3.8 m -139.1 148.05 42.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 10.0 110.376 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.739 ' HB3' ' HA ' ' A' ' 40' ' ' GLU . . . -84.63 170.68 13.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 10.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.455 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 13.3 t0 -74.11 -97.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 10.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.455 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 37.3 pttt -136.83 8.12 3.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 10.0 109.322 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -156.06 24.4 0.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 10.0 109.337 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.591 ' CA ' ' HB1' ' A' ' 89' ' ' ALA . . . 98.89 -43.88 1.79 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.494 1.121 . . . . 10.0 110.994 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.461 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 32.1 t -39.41 103.24 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.485 0.756 . . . . 10.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.691 ' HB3' ' HB ' ' A' ' 35' ' ' ILE . . . -98.55 112.63 24.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 10.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -96.21 148.33 22.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 10.0 109.339 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 21.6 t -120.1 149.99 22.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 10.0 109.262 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 42.2 p -168.34 95.59 0.39 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.457 1.098 . . . . 10.0 109.972 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -139.33 119.49 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 10.0 109.359 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -112.51 81.97 1.57 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 10.0 110.325 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.434 ' O ' ' HA ' ' A' ' 28' ' ' PRO . 1.0 OUTLIER -91.32 152.74 20.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.412 1.07 . . . . 10.0 109.262 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 24.6 p -131.9 65.1 1.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 10.0 110.012 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 80.5 t -150.89 -46.71 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.096 . . . . 10.0 109.327 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.654 HG13 HG21 ' A' ' 112' ' ' ILE . 0.2 OUTLIER -68.28 177.51 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 10.0 109.313 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.7 m -167.41 119.6 0.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 10.0 109.99 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.667 ' HG ' HD11 ' A' ' 112' ' ' ILE . 3.2 mp -49.79 -37.27 29.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 10.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.3 m -125.55 140.65 52.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 10.0 109.994 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 132.54 -89.71 0.27 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.499 1.124 . . . . 10.0 110.95 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -138.47 -47.33 0.51 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 0.78 . . . . 10.0 109.275 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 3.2 m80 -85.4 55.84 3.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 10.0 109.608 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 96.2 p -60.5 111.48 1.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 10.0 109.984 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.667 HD11 ' HG ' ' A' ' 106' ' ' LEU . 8.6 pt -84.74 -21.88 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 10.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 3.7 mt -58.68 141.39 15.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.54 1.15 . . . . 10.0 109.25 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 112.26 -7.39 26.83 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.511 1.132 . . . . 10.0 111.03 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.905 ' O ' HD12 ' A' ' 149' ' ' ILE . 11.5 mmt180 -87.02 164.98 16.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 0.776 . . . . 10.0 110.275 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.86 HG23 HG23 ' A' ' 118' ' ' VAL . 2.2 t -153.94 126.62 8.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 10.0 110.418 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.865 HD12 HG13 ' A' ' 119' ' ' VAL . 0.1 OUTLIER -72.7 74.12 1.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 10.0 109.278 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.981 HG21 ' CD2' ' A' ' 48' ' ' HIS . 19.6 t -84.13 70.84 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 10.0 109.304 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.865 HG13 HD12 ' A' ' 117' ' ' LEU . 1.2 m -50.05 133.98 9.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 10.0 109.344 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.527 ' CE1' ' CA ' ' A' ' 141' ' ' GLY . 4.0 m170 -84.48 134.96 34.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 10.0 109.581 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -46.4 -64.75 0.68 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 10.0 110.33 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 3.7 mttt -100.98 -178.27 3.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 10.0 109.339 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -89.76 -178.26 5.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 10.0 109.295 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.433 ' OD2' ' CE1' ' A' ' 45' ' ' PHE . 1.4 m-20 -133.86 95.85 3.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 10.0 109.267 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.26 -21.27 5.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 10.0 109.337 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.567 HD11 ' HZ ' ' A' ' 45' ' ' PHE . 7.6 mt 61.36 19.3 10.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 10.0 109.338 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 178.61 91.97 0.08 OUTLIER Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.505 1.128 . . . . 10.0 111.006 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -121.3 -42.79 2.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 0.743 . . . . 10.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -178.68 36.63 0.08 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.448 1.093 . . . . 10.0 111.004 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 41.7 92.21 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.033 -0.827 . . . . 10.0 111.033 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . 0.615 ' C ' HG23 ' A' ' 135' ' ' THR . 2.4 t30 -141.51 148.43 39.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 0.753 . . . . 10.0 109.275 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 131' ' ' ASN . 0.9 OUTLIER -37.81 -29.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 10.0 110.259 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . 0.478 ' N ' ' O ' ' A' ' 131' ' ' ASN . 0.0 OUTLIER -91.71 -43.47 9.56 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.554 1.159 . . . . 10.0 110.313 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 131' ' ' ASN . 0.0 OUTLIER -70.7 -50.73 33.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 10.0 110.039 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . 0.615 HG23 ' C ' ' A' ' 131' ' ' ASN . 41.0 p -35.6 -36.27 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 10.0 110.423 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 134' ' ' SER . 32.3 pttt -101.9 -41.43 6.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 10.0 109.29 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . 0.428 ' C ' ' HA ' ' A' ' 134' ' ' SER . 61.9 p -133.68 -106.61 0.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 10.0 110.409 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . 0.434 ' CA ' ' HA ' ' A' ' 134' ' ' SER . . . -144.82 -66.41 0.02 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.513 1.133 . . . . 10.0 110.977 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 10.1 p-10 169.84 42.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 0.792 . . . . 10.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 142' ' ' SER . . . -146.12 -52.47 0.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 10.0 109.29 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . 0.527 ' CA ' ' CE1' ' A' ' 120' ' ' HIS . . . -40.57 94.75 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.512 1.133 . . . . 10.0 110.976 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 140' ' ' ALA . 0.4 OUTLIER -127.68 11.79 6.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 0.729 . . . . 10.0 109.999 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . 0.711 ' O ' HD22 ' A' ' 144' ' ' LEU . 2.1 mpt_? 62.02 138.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 10.0 110.331 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.907 HD12 ' HB2' ' A' ' 11' ' ' ASP . 1.8 mm? -127.97 -96.79 0.4 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 10.0 109.345 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . 0.907 ' O ' HG13 ' A' ' 118' ' ' VAL . . . -64.99 175.1 1.65 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.103 . . . . 10.0 109.323 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' CYS . . . . . 1.349 ' SG ' ' SG ' ' A' ' 57' ' ' CYS . 0.8 OUTLIER -154.32 69.74 0.78 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 10.0 108.273 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . 0.809 ' O ' ' HB1' ' A' ' 6' ' ' ALA . . . -79.3 68.3 3.16 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.496 1.123 . . . . 10.0 111.009 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.473 ' CG2' ' HB ' ' A' ' 116' ' ' THR . 2.3 t -59.1 127.11 17.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.491 0.759 . . . . 10.0 109.348 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' ILE . . . . . 0.905 HD12 ' O ' ' A' ' 115' ' ' ARG . 1.0 OUTLIER -81.22 123.64 37.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 10.0 109.291 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -140.75 139.37 9.61 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.515 1.135 . . . . 10.0 111.02 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . 0.549 ' CD1' HG23 ' A' ' 2' ' ' THR . 13.8 mm -46.46 145.05 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.543 0.79 . . . . 10.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -136.42 172.14 13.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 10.0 109.294 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 10.0 110.267 -179.968 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.316 -0.624 . . . . 10.0 109.316 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.884 HG22 HD12 ' A' ' 151' ' ' ILE . 1.4 m -91.66 124.54 35.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 10.0 110.405 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -99.92 128.65 45.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 10.0 109.344 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.83 ' HB3' ' HB2' ' A' ' 20' ' ' PHE . . . -107.88 162.08 14.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 10.0 109.337 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.785 HG22 ' HB2' ' A' ' 152' ' ' ALA . 0.0 OUTLIER -140.12 141.91 32.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 10.0 109.306 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.82 ' HB3' HG23 ' A' ' 18' ' ' ILE . . . -137.07 106.63 6.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 10.0 109.266 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 7' ' ' VAL . 19.5 m -82.48 90.35 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 10.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.783 HD22 ' HA3' ' A' ' 147' ' ' GLY . 1.5 mm? -37.79 135.43 0.63 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.578 1.174 . . . . 10.0 109.345 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.27 -54.57 6.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 10.0 109.268 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.407 ' HA3' ' O ' ' A' ' 14' ' ' VAL . . . 76.9 120.29 0.18 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.44 1.088 . . . . 10.0 111.029 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -57.8 -20.9 38.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 0.763 . . . . 10.0 109.259 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -176.43 -67.34 0.06 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.49 1.118 . . . . 10.0 111.035 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.435 ' HB2' ' CA ' ' A' ' 37' ' ' GLY . 18.4 Cg_endo -74.97 -60.97 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.487 1.782 . . . . 10.0 111.038 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.71 HG11 ' HB2' ' A' ' 145' ' ' ALA . 21.8 t -38.73 145.11 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.47 1.106 . . . . 10.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 171.85 65.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 10.0 110.328 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.478 ' C ' ' CG1' ' A' ' 17' ' ' ILE . . . -107.46 -153.0 18.27 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.434 1.084 . . . . 10.0 110.986 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.478 ' CG1' ' C ' ' A' ' 16' ' ' GLY . 1.0 OUTLIER -153.25 126.13 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 0.768 . . . . 10.0 109.307 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.898 HG21 HD13 ' A' ' 117' ' ' LEU . 0.0 OUTLIER -123.26 126.52 73.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.15 . . . . 10.0 109.276 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.441 ' HA ' ' O ' ' A' ' 4' ' ' ALA . 0.1 OUTLIER -111.04 158.11 19.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 10.0 109.337 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.83 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 1.7 m-85 -130.88 91.14 3.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 10.0 111.02 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 30' ' ' LYS . 16.6 tt0 -105.81 141.77 36.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 10.0 110.286 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.449 ' HB2' HG13 ' A' ' 29' ' ' VAL . 0.1 OUTLIER -131.95 59.55 1.7 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 10.0 110.283 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.96 63.54 0.48 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 10.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -144.25 169.77 17.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 10.0 110.307 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.1 m -71.28 56.75 0.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 10.0 109.996 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 65.27 26.05 12.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 10.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -84.05 -138.39 3.75 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.505 1.128 . . . . 10.0 110.992 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.4 ' HA ' ' HA ' ' A' ' 102' ' ' SER . 18.2 Cg_endo -74.97 151.34 39.55 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.472 1.775 . . . . 10.0 110.99 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.739 ' HB ' HD11 ' A' ' 104' ' ' ILE . 41.8 t -92.59 133.7 33.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 10.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 21' ' ' GLU . 6.7 mttt -77.85 95.51 4.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 10.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.806 HG22 ' CE2' ' A' ' 20' ' ' PHE . 89.7 t -89.53 119.82 37.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 10.0 109.33 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -159.02 148.52 18.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 10.0 108.044 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.443 ' HA3' ' HA ' ' A' ' 18' ' ' ILE . . . -173.95 -159.49 20.48 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.521 1.138 . . . . 10.0 110.969 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.422 ' O ' ' HA3' ' A' ' 16' ' ' GLY . 0.1 OUTLIER -152.93 150.71 29.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 0.786 . . . . 10.0 109.998 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.951 HG21 HG11 ' A' ' 119' ' ' VAL . 1.2 mt -143.83 99.83 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 10.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.908 ' CB ' HG22 ' A' ' 94' ' ' VAL . 3.5 ptpt -105.13 120.29 41.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 10.0 109.313 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.435 ' CA ' ' HB2' ' A' ' 13' ' ' PRO . . . 164.32 -39.66 0.31 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.47 1.106 . . . . 10.0 110.998 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.64 HD11 HG21 ' A' ' 119' ' ' VAL . 3.4 mp -68.76 -130.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 0.773 . . . . 10.0 109.252 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.613 HG23 ' O ' ' A' ' 38' ' ' LEU . 3.0 p -157.55 141.19 15.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 10.0 110.405 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.881 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -40.24 110.17 0.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 10.0 110.304 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 168.95 -176.06 43.22 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.522 1.139 . . . . 10.0 110.992 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.636 HD23 HD11 ' A' ' 126' ' ' LEU . 9.5 mp -77.7 152.17 33.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.551 0.795 . . . . 10.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.501 ' HB2' HG23 ' A' ' 87' ' ' VAL . 23.1 m-70 -148.47 146.9 28.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 10.0 109.599 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -60.39 -161.91 0.11 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.485 1.115 . . . . 10.0 111.045 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -105.73 167.68 9.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 0.768 . . . . 10.0 111.039 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.489 ' CB ' ' HG ' ' A' ' 117' ' ' LEU . 7.2 p80 -99.27 77.89 2.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 10.0 109.588 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 4.7 t -149.81 134.11 9.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 10.0 109.285 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -168.42 129.89 1.33 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 10.0 109.592 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 44.37 77.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.1 . . . . 10.0 110.292 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -60.91 126.97 29.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 10.0 110.266 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 64.95 150.82 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 10.0 110.352 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 177.53 146.87 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 10.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -133.92 57.29 1.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 10.0 109.268 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.594 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 0.7 OUTLIER -154.16 -46.26 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 10.0 110.399 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.594 ' HB2' ' O ' ' A' ' 54' ' ' THR . . . 170.49 118.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 10.0 109.28 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -99.98 -47.61 1.72 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.527 1.142 . . . . 10.0 110.973 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 1.165 ' SG ' ' SG ' ' A' ' 146' ' ' CYS . 0.1 OUTLIER -87.52 53.28 2.74 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.289 -1.004 . . . . 10.0 108.289 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -117.44 -33.08 4.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 10.0 110.381 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 84.3 p 43.89 78.93 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 10.0 109.995 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -148.39 19.05 1.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 10.0 109.265 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 137.28 92.92 0.31 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.438 1.086 . . . . 10.0 111.059 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.432 ' HB2' ' CE2' ' A' ' 64' ' ' PHE . 18.2 Cg_endo -75.03 128.55 11.55 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.453 1.765 . . . . 10.0 111.016 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -106.42 55.02 0.67 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 10.0 109.578 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.432 ' CE2' ' HB2' ' A' ' 62' ' ' PRO . 54.9 m-85 -37.64 154.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 10.0 111.014 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.866 ' ND2' HD13 ' A' ' 67' ' ' LEU . 5.2 t30 -85.83 141.86 36.23 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 10.0 109.29 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 55.97 4.11 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.494 1.786 . . . . 10.0 110.966 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.866 HD13 ' ND2' ' A' ' 65' ' ' ASN . 1.6 mp -116.51 -42.25 3.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 10.0 109.299 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.472 ' O ' ' HB2' ' A' ' 69' ' ' ARG . 0.5 OUTLIER -44.89 -27.11 0.49 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 10.0 110.011 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.472 ' HB2' ' O ' ' A' ' 68' ' ' SER . 16.6 mtt180 67.97 -63.11 0.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 10.0 110.257 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 68' ' ' SER . 3.9 mttt 177.58 -178.58 0.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 10.0 109.346 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.409 ' HA ' ' CZ ' ' A' ' 79' ' ' ARG . 1.4 t-80 -47.2 140.22 5.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 10.0 109.592 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.494 ' H ' ' NE ' ' A' ' 79' ' ' ARG . . . -162.95 -143.31 3.65 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.505 1.128 . . . . 10.0 110.993 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -148.97 -131.39 1.99 Allowed Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.982 -0.847 . . . . 10.0 110.982 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -32.17 5.62 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.418 1.746 . . . . 10.0 111.02 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -173.58 105.78 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 10.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -178.44 -37.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 10.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.525 ' O ' ' CB ' ' A' ' 78' ' ' GLU . 1.2 tp10 -123.85 10.59 8.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 10.0 110.306 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.525 ' CB ' ' O ' ' A' ' 77' ' ' GLU . 2.5 tm-20 88.24 -72.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 10.0 110.318 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.494 ' NE ' ' H ' ' A' ' 72' ' ' GLY . 0.0 OUTLIER 39.72 88.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 10.0 110.317 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.649 ' HA ' HD12 ' A' ' 84' ' ' LEU . 8.5 t-160 -148.39 27.83 0.91 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 10.0 109.621 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.58 HG21 ' HB3' ' A' ' 65' ' ' ASN . 24.1 t -140.79 -71.77 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 10.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -62.42 -45.37 96.04 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.54 1.15 . . . . 10.0 110.983 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.408 ' OD1' ' CZ ' ' A' ' 79' ' ' ARG . 0.0 OUTLIER -151.67 -167.64 2.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 0.756 . . . . 10.0 109.333 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.649 HD12 ' HA ' ' A' ' 80' ' ' HIS . 1.0 OUTLIER -171.01 -59.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 10.0 109.31 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.42 ' C ' ' OD1' ' A' ' 86' ' ' ASN . . . -122.05 -162.58 11.64 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.528 1.142 . . . . 10.0 110.983 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.42 ' OD1' ' C ' ' A' ' 85' ' ' GLY . 2.5 m-20 -140.02 132.5 28.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 0.759 . . . . 10.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.501 HG23 ' HB2' ' A' ' 43' ' ' HIS . 14.4 m -108.16 135.55 46.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 10.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 98.8 m -107.8 144.59 34.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 10.0 110.344 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.881 ' HB3' ' HA ' ' A' ' 40' ' ' GLU . . . -84.99 168.19 15.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 10.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.441 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 9.0 t0 -83.13 -95.48 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 10.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.441 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 15.2 pttt -138.15 12.42 2.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 10.0 109.319 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -153.54 24.33 0.52 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.455 1.097 . . . . 10.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.544 ' CA ' ' HB1' ' A' ' 89' ' ' ALA . . . 87.26 -17.17 44.48 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.45 1.094 . . . . 10.0 110.973 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.908 HG22 ' CB ' ' A' ' 36' ' ' LYS . 21.3 t -53.63 90.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 0.768 . . . . 10.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 93' ' ' GLY . . . -95.25 119.6 34.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.163 . . . . 10.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.406 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 1.5 p30 -113.2 151.13 31.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 10.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.71 ' CG1' HD12 ' A' ' 99' ' ' ILE . 21.5 t -118.96 170.95 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 10.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.536 ' N ' HG12 ' A' ' 97' ' ' VAL . 52.8 p -176.97 83.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.574 1.171 . . . . 10.0 109.974 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.71 HD12 ' CG1' ' A' ' 97' ' ' VAL . 2.9 mt -135.93 167.67 24.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 10.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.532 ' N ' HG22 ' A' ' 99' ' ' ILE . 0.3 OUTLIER -123.59 95.8 4.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 10.0 110.316 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.444 ' HB2' ' CG1' ' A' ' 104' ' ' ILE . 8.2 m-20 -85.76 134.03 33.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 10.0 109.263 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.4 ' HA ' ' HA ' ' A' ' 28' ' ' PRO . 9.3 p -110.01 -21.76 12.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 10.0 110.03 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 50.9 t -72.8 -7.72 10.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 10.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.892 HD13 HG21 ' A' ' 112' ' ' ILE . 2.3 pp -118.48 166.46 12.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 10.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.745 ' O ' HG23 ' A' ' 112' ' ' ILE . 8.2 t -160.39 162.82 33.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 10.0 110.008 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.977 HD12 HD11 ' A' ' 151' ' ' ILE . 2.2 mm? -71.82 -42.17 67.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 10.0 109.327 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -144.04 159.61 42.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 10.0 109.984 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 130.77 -100.33 0.46 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.486 1.116 . . . . 10.0 110.98 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.91 -43.59 2.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 0.781 . . . . 10.0 109.342 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 22.5 m80 -104.11 66.92 0.84 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 10.0 109.599 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 82.6 p -66.22 137.0 56.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 10.0 110.014 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.892 HG21 HD13 ' A' ' 104' ' ' ILE . 2.1 pp -85.15 -17.4 9.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 10.0 109.298 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.486 HD11 HG12 ' A' ' 151' ' ' ILE . 9.6 mm -67.58 107.98 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 10.0 109.272 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 123.48 -0.58 9.48 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.453 1.096 . . . . 10.0 110.995 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 9.7 mmm180 -84.92 67.25 10.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 0.781 . . . . 10.0 110.27 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.587 HG22 ' O ' ' A' ' 116' ' ' THR . 0.3 OUTLIER -39.35 104.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 10.0 110.405 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.898 HD13 HG21 ' A' ' 18' ' ' ILE . 5.1 tt -78.81 116.46 19.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 10.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.427 ' HB ' ' O ' ' A' ' 145' ' ' ALA . 0.9 OUTLIER -135.71 128.31 46.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 10.0 109.302 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.951 HG11 HG21 ' A' ' 35' ' ' ILE . 4.9 m -75.53 150.39 6.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 10.0 109.356 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.546 ' CG ' ' OD2' ' A' ' 124' ' ' ASP . 2.5 m-70 -84.56 127.67 34.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 10.0 109.656 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -38.46 -52.84 1.57 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 10.0 110.341 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.462 ' HB3' ' CB ' ' A' ' 140' ' ' ALA . 6.8 tmtt? -139.73 161.8 36.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 10.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -47.4 142.7 3.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 10.0 109.273 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.546 ' OD2' ' CG ' ' A' ' 120' ' ' HIS . 0.6 OUTLIER -153.38 87.31 1.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 10.0 109.301 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 126' ' ' LEU . 0.1 OUTLIER 177.02 -39.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 10.0 109.262 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.636 HD11 HD23 ' A' ' 42' ' ' LEU . 0.3 OUTLIER -39.13 -54.4 1.75 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 10.0 109.271 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 110.12 63.13 0.52 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.472 1.108 . . . . 10.0 111.038 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.422 ' HE2' ' ND2' ' A' ' 139' ' ' ASN . 2.8 pttp -54.31 -20.43 7.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 0.752 . . . . 10.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 155.67 -23.3 0.55 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.523 1.14 . . . . 10.0 110.983 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . 0.463 ' HA2' ' CB ' ' A' ' 134' ' ' SER . . . 57.85 96.68 0.01 OUTLIER Glycine 0 CA--C 1.531 1.036 0 N-CA-C 111.008 -0.837 . . . . 10.0 111.008 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . 0.462 ' O ' ' N ' ' A' ' 133' ' ' GLN . 38.6 m-80 -155.44 104.8 2.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 0.792 . . . . 10.0 109.339 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 131' ' ' ASN . 1.6 mp0 37.26 31.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 10.0 110.289 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 131' ' ' ASN . 0.1 OUTLIER -160.9 -61.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 10.0 110.281 -179.939 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . 0.463 ' CB ' ' HA2' ' A' ' 130' ' ' GLY . 1.6 m -91.3 -21.21 21.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 10.0 110.039 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . 0.454 ' N ' ' HA2' ' A' ' 130' ' ' GLY . 6.6 t -65.27 -23.99 67.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 10.0 110.382 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 7.9 mttt -107.48 -32.9 7.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 10.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . 0.439 ' O ' ' NH2' ' A' ' 79' ' ' ARG . 81.3 p -137.34 -100.5 0.19 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 10.0 110.408 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . 0.481 ' HA3' ' CB ' ' A' ' 124' ' ' ASP . . . -174.71 43.89 0.13 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.523 1.139 . . . . 10.0 111.008 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . 0.422 ' ND2' ' HE2' ' A' ' 128' ' ' LYS . 54.3 t30 43.03 30.16 0.24 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 0.765 . . . . 10.0 109.309 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.462 ' CB ' ' HB3' ' A' ' 122' ' ' LYS . . . -159.53 42.31 0.22 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 10.0 109.287 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . 0.458 ' HA2' ' CE1' ' A' ' 120' ' ' HIS . . . -107.27 104.24 2.1 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.553 1.158 . . . . 10.0 111.005 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 1.8 t -162.31 94.6 0.9 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 0.774 . . . . 10.0 110.005 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.19 128.81 6.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 10.0 110.25 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.1 mp -120.51 -67.75 0.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 10.0 109.301 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . 0.71 ' HB2' HG11 ' A' ' 14' ' ' VAL . . . -77.42 175.64 9.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 10.0 109.265 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' CYS . . . . . 1.165 ' SG ' ' SG ' ' A' ' 57' ' ' CYS . 2.1 t -157.77 72.83 0.67 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 10.0 108.32 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . 0.783 ' HA3' HD22 ' A' ' 8' ' ' LEU . . . -89.48 69.74 2.49 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.521 1.138 . . . . 10.0 110.969 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.522 HG23 ' OG1' ' A' ' 116' ' ' THR . 2.7 t -57.86 118.36 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.517 0.775 . . . . 10.0 109.262 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' ILE . . . . . 0.674 HG21 ' CD1' ' A' ' 20' ' ' PHE . 2.2 mp -70.88 133.7 31.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 10.0 109.272 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -148.88 130.42 3.38 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.492 1.12 . . . . 10.0 110.972 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . 0.977 HD11 HD12 ' A' ' 106' ' ' LEU . 22.7 mm -42.95 155.92 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.521 0.777 . . . . 10.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . 0.785 ' HB2' HG22 ' A' ' 5' ' ' VAL . . . -113.34 175.94 5.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 10.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 10.0 110.298 -179.996 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 22' ' ' GLN . . . . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.249 -0.648 . . . . 10.0 109.249 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.724 HG21 HG23 ' A' ' 151' ' ' ILE . 82.4 m -112.88 173.95 6.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 10.0 110.405 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.501 ' H ' HG22 ' A' ' 2' ' ' THR . 5.9 tmtt? -112.83 94.83 5.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 10.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.599 ' HB1' HG23 ' A' ' 149' ' ' ILE . . . -84.4 154.92 22.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 10.0 109.273 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.615 HG23 ' CB ' ' A' ' 152' ' ' ALA . 11.1 t -131.06 155.68 42.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 10.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.738 ' HB1' ' O ' ' A' ' 147' ' ' GLY . . . -155.47 89.14 1.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 10.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.439 ' O ' HG13 ' A' ' 7' ' ' VAL . 7.4 p -84.31 108.79 16.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 10.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.55 HD22 ' HA3' ' A' ' 147' ' ' GLY . 0.2 OUTLIER -54.89 137.57 45.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 10.0 109.304 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.2 tttt -173.29 116.46 0.27 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 10.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -172.3 -84.43 0.06 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.527 1.142 . . . . 10.0 111.001 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -42.46 -41.98 3.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.438 0.728 . . . . 10.0 109.301 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 132.27 -58.85 0.69 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.468 1.105 . . . . 10.0 111.012 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -32.63 5.21 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.477 1.777 . . . . 10.0 110.973 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.47 ' O ' HG12 ' A' ' 14' ' ' VAL . 2.5 t -71.34 99.02 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 10.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -122.26 41.63 3.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 10.0 110.289 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.469 ' CA ' ' HA ' ' A' ' 35' ' ' ILE . . . -56.71 163.41 6.26 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.526 1.141 . . . . 10.0 111.026 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.439 HG12 HG23 ' A' ' 7' ' ' VAL . 59.2 mt -139.15 101.09 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.499 0.764 . . . . 10.0 109.261 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.768 HD11 ' CE1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -125.45 136.7 60.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.543 1.152 . . . . 10.0 109.31 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.41 ' ND2' HG13 ' A' ' 5' ' ' VAL . 0.1 OUTLIER -123.61 169.71 11.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 10.0 109.309 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.768 ' CE1' HD11 ' A' ' 18' ' ' ILE . 4.2 m-85 -138.39 98.5 3.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.418 1.074 . . . . 10.0 110.973 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 30' ' ' LYS . 44.9 tt0 -117.5 135.86 53.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 10.0 110.341 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.679 ' HB2' HG22 ' A' ' 29' ' ' VAL . 3.6 tt0 -137.22 59.38 1.68 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 10.0 110.278 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -76.47 66.15 2.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 10.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.507 ' O ' ' CB ' ' A' ' 25' ' ' SER . 20.7 mm-40 -127.92 -53.18 1.32 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.142 . . . . 10.0 110.287 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.507 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 0.7 OUTLIER 85.69 -16.93 0.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 10.0 110.03 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 51.5 p30 -154.48 23.64 0.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 10.0 109.279 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -133.52 -175.9 14.15 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.464 1.103 . . . . 10.0 111.013 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.442 ' HA ' ' HA ' ' A' ' 102' ' ' SER . 18.3 Cg_endo -75.0 170.07 21.23 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.503 1.791 . . . . 10.0 111.003 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.679 HG22 ' HB2' ' A' ' 22' ' ' GLN . 84.1 t -93.84 130.39 42.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 10.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 21' ' ' GLU . 8.2 mttt -75.72 98.0 3.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 10.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.626 HG22 ' CE2' ' A' ' 20' ' ' PHE . 95.1 t -101.8 115.41 43.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 10.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.416 ' HA ' ' O ' ' A' ' 97' ' ' VAL . 1.2 p90 -152.08 155.15 37.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 10.0 107.999 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.43 ' O ' ' HA ' ' A' ' 96' ' ' ASP . . . -176.84 -173.92 42.84 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.456 1.097 . . . . 10.0 110.952 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 59.8 p -156.7 120.3 4.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 0.779 . . . . 10.0 110.036 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.665 HG21 HD13 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -83.25 163.83 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 10.0 109.252 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.504 ' CG ' ' O ' ' A' ' 35' ' ' ILE . 8.0 mttt -157.32 106.33 2.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 10.0 109.277 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 144.81 -45.31 0.85 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.525 1.141 . . . . 10.0 110.98 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.84 HD11 HG11 ' A' ' 119' ' ' VAL . 0.5 OUTLIER -53.06 -171.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 0.776 . . . . 10.0 109.303 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.524 ' O ' ' CE1' ' A' ' 43' ' ' HIS . 1.9 p -132.01 134.61 45.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 10.0 110.413 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.861 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 15.2 pt-20 -37.57 123.01 0.97 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 10.0 110.291 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 147.27 -157.91 27.55 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.474 1.109 . . . . 10.0 111.031 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.785 HD23 ' ND2' ' A' ' 86' ' ' ASN . 9.5 mp -77.19 147.41 36.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 0.786 . . . . 10.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.642 ' CG ' HD22 ' A' ' 38' ' ' LEU . 55.6 m-70 -147.15 114.61 6.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 10.0 109.581 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.443 ' CA ' ' HB2' ' A' ' 120' ' ' HIS . . . -54.52 148.68 20.92 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.471 1.107 . . . . 10.0 111.002 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -118.01 109.33 16.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 0.773 . . . . 10.0 111.026 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.665 ' O ' HG23 ' A' ' 47' ' ' VAL . 54.7 m170 -90.35 173.22 8.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 10.0 109.601 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.665 HG23 ' O ' ' A' ' 46' ' ' HIS . 32.4 t -159.44 76.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 10.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.5 ' CG ' ' HB ' ' A' ' 116' ' ' THR . 0.1 OUTLIER -40.75 149.25 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.553 1.158 . . . . 10.0 109.57 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -83.08 99.62 9.98 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 10.0 110.337 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -39.48 102.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 10.0 110.287 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -156.05 -161.86 1.2 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.526 1.141 . . . . 10.0 110.304 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.72 98.1 0.5 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 10.0 109.257 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -140.17 66.33 1.39 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 10.0 109.304 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.58 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 0.3 OUTLIER -121.24 117.52 27.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 10.0 110.38 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.58 ' HB2' ' O ' ' A' ' 54' ' ' THR . . . 170.54 -62.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 10.0 109.268 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 155.49 64.21 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.529 1.143 . . . . 10.0 111.022 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 2.8 m 43.28 85.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.344 -0.984 . . . . 10.0 108.344 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -90.74 -42.39 10.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 10.0 110.38 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.4 m 50.83 96.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 10.0 109.996 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -122.63 -61.07 1.49 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.53 1.144 . . . . 10.0 109.271 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -137.45 81.33 0.28 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.462 1.101 . . . . 10.0 111.022 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -172.77 1.35 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.503 1.791 . . . . 10.0 111.047 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -154.54 -46.81 0.09 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.114 . . . . 10.0 109.564 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 47.46 50.0 15.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 10.0 111.008 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.472 ' N ' ' HD3' ' A' ' 66' ' ' PRO . 54.3 t30 -136.3 61.77 40.6 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 10.0 109.26 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.499 ' O ' ' CB ' ' A' ' 67' ' ' LEU . 18.4 Cg_endo -75.05 56.58 4.33 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.519 1.799 . . . . 10.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.594 ' HB3' HG11 ' A' ' 81' ' ' VAL . 0.3 OUTLIER 87.82 -17.94 0.29 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 10.0 109.314 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.532 ' C ' ' H ' ' A' ' 70' ' ' LYS . 96.1 p -54.22 -29.18 45.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 10.0 110.019 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.511 ' HB2' ' O ' ' A' ' 68' ' ' SER . 0.1 OUTLIER 74.54 -33.47 0.25 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 10.0 110.298 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.532 ' H ' ' C ' ' A' ' 68' ' ' SER . 32.6 mtmt 69.19 -178.19 0.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 10.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 8.8 m80 68.18 29.92 5.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 10.0 109.62 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -111.72 -160.79 16.16 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.467 1.104 . . . . 10.0 110.987 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 98.41 -104.64 2.97 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.039 -0.824 . . . . 10.0 111.039 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 52.76 3.15 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.495 1.787 . . . . 10.0 110.993 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.22 -37.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.447 1.092 . . . . 10.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 69.87 92.11 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 10.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.478 ' O ' ' CB ' ' A' ' 78' ' ' GLU . 6.0 tp10 -114.27 -17.53 11.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 10.0 110.294 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.516 ' CG ' ' N ' ' A' ' 79' ' ' ARG . 2.8 tt0 162.46 -87.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 10.0 110.28 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.516 ' N ' ' CG ' ' A' ' 78' ' ' GLU . 2.1 ptt85 41.49 -163.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 10.0 110.336 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.417 ' CB ' ' O ' ' A' ' 79' ' ' ARG . 2.9 t-160 81.32 11.74 0.78 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 10.0 109.645 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.594 HG11 ' HB3' ' A' ' 67' ' ' LEU . 1.3 t -126.62 5.78 3.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 10.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -177.94 -59.74 0.07 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.504 1.127 . . . . 10.0 111.039 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.95 142.18 38.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 0.734 . . . . 10.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -133.09 14.97 4.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 10.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 82.54 -99.21 2.06 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.501 1.126 . . . . 10.0 110.974 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.785 ' ND2' HD23 ' A' ' 42' ' ' LEU . 21.5 p30 -151.48 152.24 32.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 0.788 . . . . 10.0 109.345 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.571 HG23 ' N ' ' A' ' 88' ' ' THR . 9.8 m -99.64 -147.17 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 10.0 109.28 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.571 ' N ' HG23 ' A' ' 87' ' ' VAL . 42.6 m -155.35 128.86 8.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 10.0 110.397 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.861 ' HB3' ' HA ' ' A' ' 40' ' ' GLU . . . -84.2 175.37 9.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 10.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.449 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 13.2 t0 -80.85 -97.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 10.0 109.342 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.449 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 9.7 pttt -138.05 10.7 2.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 10.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -154.26 23.56 0.48 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 10.0 109.237 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.471 ' CA ' ' HB1' ' A' ' 89' ' ' ALA . . . 90.47 -32.04 5.19 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.508 1.13 . . . . 10.0 111.025 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.51 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 21.1 t -41.77 103.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.49 0.759 . . . . 10.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.441 ' HB3' ' HB ' ' A' ' 35' ' ' ILE . . . -105.93 117.37 33.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 10.0 109.298 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.43 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 2.0 p-10 -103.38 153.35 20.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 10.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 32' ' ' TRP . 57.4 t -133.39 155.87 41.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 10.0 109.279 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.412 ' C ' ' CG1' ' A' ' 99' ' ' ILE . 92.0 p -172.53 97.02 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 10.0 109.986 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.412 ' CG1' ' C ' ' A' ' 98' ' ' SER . 0.8 OUTLIER -149.03 170.92 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 10.0 109.262 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.439 ' HB3' ' CG ' ' A' ' 28' ' ' PRO . 0.6 OUTLIER -124.01 94.82 4.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 10.0 110.289 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -96.38 117.82 31.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 10.0 109.28 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.45 ' C ' ' N ' ' A' ' 104' ' ' ILE . 80.7 p -98.4 -32.09 11.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 10.0 110.012 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 53.4 t -41.1 -28.95 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 10.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.7 ' HB ' HG21 ' A' ' 112' ' ' ILE . 2.6 pp -121.26 170.35 11.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.103 . . . . 10.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.863 ' C ' HD23 ' A' ' 106' ' ' LEU . 27.9 p -170.8 -179.81 2.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 10.0 109.997 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.863 HD23 ' C ' ' A' ' 105' ' ' SER . 0.2 OUTLIER -108.93 39.69 1.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 10.0 109.34 179.939 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -106.3 159.69 15.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 10.0 109.964 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -66.23 77.39 0.12 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.487 1.117 . . . . 10.0 110.999 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 172.09 -51.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 0.754 . . . . 10.0 109.271 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.722 ' O ' HG23 ' A' ' 112' ' ' ILE . 11.3 m80 -115.12 11.69 16.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 10.0 109.565 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 43.5 p -40.69 111.92 0.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 10.0 109.968 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.722 HG23 ' O ' ' A' ' 110' ' ' HIS . 1.2 pt -103.6 20.24 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 10.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.545 HG22 ' O ' ' A' ' 113' ' ' ILE . 17.5 mm -70.6 70.49 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.432 1.083 . . . . 10.0 109.267 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 170.87 39.23 0.03 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.495 1.122 . . . . 10.0 111.016 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.948 ' HB2' HD13 ' A' ' 149' ' ' ILE . 16.7 mtt180 -100.12 88.6 3.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 0.755 . . . . 10.0 110.296 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.763 HG23 HG23 ' A' ' 148' ' ' VAL . 14.2 m -68.94 61.21 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 10.0 110.427 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.402 ' N ' ' O ' ' A' ' 115' ' ' ARG . 1.7 tp -45.63 110.02 0.22 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 10.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.839 HG12 ' O ' ' A' ' 145' ' ' ALA . 0.0 OUTLIER -116.55 97.52 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 10.0 109.32 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.84 HG11 HD11 ' A' ' 38' ' ' LEU . 17.6 t -46.28 171.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.121 . . . . 10.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.538 ' H ' HG12 ' A' ' 119' ' ' VAL . 1.0 OUTLIER -99.42 123.45 43.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 10.0 109.586 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -44.7 -34.36 2.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 10.0 110.329 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.46 ' N ' ' HB1' ' A' ' 140' ' ' ALA . 0.0 OUTLIER -148.41 175.12 11.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 10.0 109.281 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.31 -166.1 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.089 . . . . 10.0 109.277 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -154.47 93.9 1.64 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 10.0 109.286 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.61 -25.24 67.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 10.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.561 HD23 ' O ' ' A' ' 134' ' ' SER . 3.5 mt 56.65 18.28 3.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 10.0 109.255 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -178.4 62.07 0.08 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.446 1.091 . . . . 10.0 111.0 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.2 -77.19 0.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 0.774 . . . . 10.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -163.99 29.79 0.24 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.499 1.124 . . . . 10.0 111.024 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -152.04 -173.75 22.0 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.973 -0.851 . . . . 10.0 110.973 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . 0.524 ' O ' ' CB ' ' A' ' 132' ' ' GLU . 35.2 m-20 -153.54 149.7 27.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 0.749 . . . . 10.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.524 ' CB ' ' O ' ' A' ' 131' ' ' ASN . 7.9 tt0 88.14 11.81 0.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 10.0 110.283 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -134.98 -81.7 0.43 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 10.0 110.318 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . 0.561 ' O ' HD23 ' A' ' 126' ' ' LEU . 4.8 m -58.19 -26.04 62.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.165 . . . . 10.0 110.004 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 31.8 p -63.41 -35.02 79.05 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.436 1.085 . . . . 10.0 110.378 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 9.2 pttt -94.19 -32.92 13.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 10.0 109.289 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 32.8 p -125.77 -98.2 0.41 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.155 . . . . 10.0 110.367 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . 0.452 ' N ' ' HA ' ' A' ' 134' ' ' SER . . . 166.14 40.83 0.02 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.514 1.133 . . . . 10.0 110.993 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 48.5 24.74 0.79 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 0.783 . . . . 10.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.46 ' HB1' ' N ' ' A' ' 122' ' ' LYS . . . -145.32 21.92 1.52 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 10.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -75.79 85.52 0.87 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.475 1.11 . . . . 10.0 110.96 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.38 1.06 11.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 0.746 . . . . 10.0 110.007 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . 0.431 ' HG2' HG21 ' A' ' 118' ' ' VAL . 0.1 OUTLIER 65.63 -84.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 10.0 110.31 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.404 ' O ' ' O ' ' A' ' 143' ' ' ARG . 16.2 mt 61.63 143.78 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 10.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . 0.839 ' O ' HG12 ' A' ' 118' ' ' VAL . . . 56.07 168.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 10.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' CYS . . . . . 0.428 ' O ' ' N ' ' A' ' 148' ' ' VAL . 11.0 p -155.56 68.17 0.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 10.0 108.321 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . 0.738 ' O ' ' HB1' ' A' ' 6' ' ' ALA . . . -67.98 60.52 0.37 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.547 1.155 . . . . 10.0 111.018 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.763 HG23 HG23 ' A' ' 116' ' ' THR . 3.3 t -61.28 131.77 26.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 0.77 . . . . 10.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' ILE . . . . . 0.948 HD13 ' HB2' ' A' ' 115' ' ' ARG . 4.6 mp -86.15 112.84 23.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 10.0 109.292 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . 0.407 ' O ' ' HA ' ' A' ' 4' ' ' ALA . . . -126.78 154.2 19.16 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.531 1.145 . . . . 10.0 110.976 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . 0.724 HG23 HG21 ' A' ' 2' ' ' THR . 18.9 mm -57.72 138.53 18.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.547 0.792 . . . . 10.0 109.328 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . 0.615 ' CB ' HG23 ' A' ' 5' ' ' VAL . . . -141.13 157.5 45.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.155 . . . . 10.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 1.6 pm0 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 10.0 110.32 179.975 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.287 -0.634 . . . . 10.0 109.287 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.954 ' CG2' HD12 ' A' ' 151' ' ' ILE . 41.4 m -124.09 154.06 40.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 10.0 110.406 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.4 tmtt? -138.98 110.79 7.17 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.485 1.115 . . . . 10.0 109.288 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.929 ' HB3' ' HB2' ' A' ' 20' ' ' PHE . . . -84.54 159.91 20.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.415 1.072 . . . . 10.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.459 HG23 ' HB3' ' A' ' 152' ' ' ALA . 1.9 t -143.45 155.35 16.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 10.0 109.326 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.967 ' HB3' HG23 ' A' ' 18' ' ' ILE . . . -146.8 91.76 2.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 10.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.495 ' O ' HG13 ' A' ' 7' ' ' VAL . 7.7 p -83.7 92.87 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 10.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.678 HD12 ' HB3' ' A' ' 145' ' ' ALA . 3.3 mm? -44.04 131.93 5.66 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 10.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.9 tttm -168.01 102.58 0.46 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 10.0 109.314 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 11' ' ' ASP . . . -163.26 -93.28 0.09 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.472 1.107 . . . . 10.0 110.97 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 10' ' ' GLY . 24.9 t70 -38.59 -65.46 0.35 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 0.791 . . . . 10.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 155.02 -59.36 0.38 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.501 1.126 . . . . 10.0 111.022 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.407 ' O ' ' O ' ' A' ' 36' ' ' LYS . 18.0 Cg_endo -75.05 -34.51 3.72 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.478 1.778 . . . . 10.0 110.962 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.97 HG21 HD13 ' A' ' 144' ' ' LEU . 31.2 t -71.21 94.75 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 10.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -120.85 47.13 1.87 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 10.0 110.281 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.491 ' N ' ' HB2' ' A' ' 8' ' ' LEU . . . -59.52 166.7 8.87 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.544 1.152 . . . . 10.0 110.987 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 22.0 mt -139.39 99.35 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.499 0.764 . . . . 10.0 109.272 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.993 HD12 ' N ' ' A' ' 19' ' ' ASN . 0.1 OUTLIER -108.34 135.2 47.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 10.0 109.341 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.993 ' N ' HD12 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -131.23 145.32 51.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 10.0 109.291 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.929 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 5.5 m-85 -115.62 135.75 53.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 10.0 110.948 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.467 ' HB2' ' CH2' ' A' ' 32' ' ' TRP . 4.3 tp10 -130.49 128.1 40.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 10.0 110.29 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.906 ' HB2' HG13 ' A' ' 29' ' ' VAL . 1.6 tt0 -145.27 64.62 1.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.426 1.079 . . . . 10.0 110.295 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 22.3 mtmt -72.78 63.95 0.64 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.562 1.164 . . . . 10.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.51 ' O ' ' CB ' ' A' ' 25' ' ' SER . 0.2 OUTLIER -153.72 -49.41 0.09 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.451 1.094 . . . . 10.0 110.307 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.51 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 0.3 OUTLIER 85.65 -13.44 0.61 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 10.0 109.971 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -156.21 24.65 0.36 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.137 . . . . 10.0 109.345 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -124.17 -159.5 10.46 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.537 1.148 . . . . 10.0 110.997 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.43 ' HA ' ' O ' ' A' ' 101' ' ' ASP . 18.2 Cg_endo -75.05 142.52 27.8 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.469 1.773 . . . . 10.0 110.999 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.906 HG13 ' HB2' ' A' ' 22' ' ' GLN . 10.9 t -101.48 103.0 14.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.424 1.077 . . . . 10.0 109.271 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.511 ' O ' ' CZ3' ' A' ' 32' ' ' TRP . 59.6 mttt -73.23 100.11 3.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 10.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.615 HG13 ' CD1' ' A' ' 20' ' ' PHE . 40.4 t -101.27 143.41 14.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 10.0 109.253 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.511 ' CZ3' ' O ' ' A' ' 30' ' ' LYS . 35.6 p90 -164.11 145.19 8.54 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.996 -1.113 . . . . 10.0 107.996 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.45 ' O ' ' HA ' ' A' ' 96' ' ' ASP . . . -158.58 -174.21 27.98 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.51 1.131 . . . . 10.0 111.015 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 21.5 p -157.14 120.42 4.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 0.753 . . . . 10.0 110.029 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.552 HG21 HD13 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -83.93 165.83 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 10.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.518 ' CG ' ' O ' ' A' ' 35' ' ' ILE . 14.6 mttm -157.1 111.56 2.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 10.0 109.267 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.437 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 142.1 -48.47 0.79 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.496 1.123 . . . . 10.0 111.02 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.732 HD22 ' CG ' ' A' ' 43' ' ' HIS . 0.8 OUTLIER -52.88 -172.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 0.782 . . . . 10.0 109.334 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.561 ' O ' ' CE1' ' A' ' 43' ' ' HIS . 20.0 p -129.64 139.46 51.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 10.0 110.411 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.76 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 1.5 pt-20 -36.42 130.77 0.68 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 10.0 110.271 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.43 ' O ' ' HA ' ' A' ' 88' ' ' THR . . . 139.33 -161.01 26.05 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.51 1.131 . . . . 10.0 111.019 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.456 ' O ' ' ND1' ' A' ' 43' ' ' HIS . 0.4 OUTLIER -77.32 142.99 39.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 0.776 . . . . 10.0 109.28 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.732 ' CG ' HD22 ' A' ' 38' ' ' LEU . 21.4 m-70 -141.75 123.21 14.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 10.0 109.586 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.711 ' O ' HG12 ' A' ' 119' ' ' VAL . . . -59.12 172.05 4.6 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.536 1.147 . . . . 10.0 111.0 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -138.12 68.95 1.39 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.539 0.788 . . . . 10.0 110.978 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.766 ' O ' HG23 ' A' ' 47' ' ' VAL . 57.1 m170 -52.78 174.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 10.0 109.63 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.766 HG23 ' O ' ' A' ' 46' ' ' HIS . 8.2 t -161.73 74.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 10.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.818 ' CG ' HG22 ' A' ' 116' ' ' THR . 0.0 OUTLIER -45.11 163.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 10.0 109.6 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.456 ' O ' ' CE1' ' A' ' 48' ' ' HIS . 2.3 mt-10 -93.35 -163.42 1.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 10.0 110.329 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -103.58 169.97 8.22 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.525 1.141 . . . . 10.0 110.311 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -176.7 -53.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 10.0 110.282 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.41 ' O ' ' CG ' ' A' ' 53' ' ' ASN . 32.2 m-20 39.92 87.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 10.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.41 ' CG ' ' O ' ' A' ' 52' ' ' ASP . 6.3 m-20 170.01 52.97 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 10.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.624 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 0.0 OUTLIER -155.01 -48.53 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 10.0 110.383 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.624 ' HB2' ' O ' ' A' ' 54' ' ' THR . . . 167.97 -75.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 10.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -163.78 -65.56 0.02 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.495 1.122 . . . . 10.0 110.994 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 1.236 ' SG ' ' SG ' ' A' ' 146' ' ' CYS . 21.3 t -156.12 90.0 1.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.315 -0.995 . . . . 10.0 108.315 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 71.5 p -141.43 -151.14 0.35 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 10.0 110.408 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.5 m -110.33 77.82 1.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.562 1.164 . . . . 10.0 109.992 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -99.87 -50.42 4.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 10.0 109.334 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 159.9 83.26 0.05 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.506 1.129 . . . . 10.0 110.968 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 99.22 1.23 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.483 1.781 . . . . 10.0 111.028 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.403 ' O ' ' C ' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -84.54 -76.19 0.32 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 10.0 109.615 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.559 ' CE2' ' HB2' ' A' ' 48' ' ' HIS . 0.2 OUTLIER 36.78 -150.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.52 1.137 . . . . 10.0 111.04 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -155.7 65.8 4.39 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 10.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 47.52 1.77 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.55 1.816 . . . . 10.0 111.009 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.479 ' O ' ' N ' ' A' ' 69' ' ' ARG . 1.2 pp -144.41 14.36 1.61 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 10.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 67' ' ' LEU . 0.3 OUTLIER 37.36 30.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 10.0 109.966 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.479 ' N ' ' O ' ' A' ' 67' ' ' LEU . 1.5 mtt-85 73.98 -54.21 0.68 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 10.0 110.304 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -170.72 161.63 7.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 10.0 109.247 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -89.56 117.1 28.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 10.0 109.589 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -159.97 -98.19 0.13 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.53 1.144 . . . . 10.0 111.001 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -94.31 137.33 13.46 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.997 -0.841 . . . . 10.0 110.997 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.527 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 18.2 Cg_endo -75.0 73.66 4.25 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.475 1.777 . . . . 10.0 111.004 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.527 ' CB ' ' O ' ' A' ' 74' ' ' PRO . 0.0 OUTLIER 89.4 26.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 10.0 109.358 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -122.63 -68.4 0.89 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 10.0 109.317 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -102.89 11.79 36.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 10.0 110.29 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -176.76 -166.51 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 10.0 110.324 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.492 ' O ' ' CB ' ' A' ' 80' ' ' HIS . 3.1 mpt_? 65.29 169.67 0.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 10.0 110.296 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.492 ' CB ' ' O ' ' A' ' 79' ' ' ARG . 1.9 t-80 87.36 12.1 0.12 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.554 1.159 . . . . 10.0 109.554 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.488 ' O ' HG12 ' A' ' 81' ' ' VAL . 90.3 t -141.74 67.8 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.085 . . . . 10.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.463 ' O ' ' N ' ' A' ' 47' ' ' VAL . . . 116.51 -53.32 0.63 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.433 1.083 . . . . 10.0 110.995 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -90.93 158.66 16.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 0.774 . . . . 10.0 109.274 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.486 ' O ' HD23 ' A' ' 84' ' ' LEU . 2.4 tt -147.64 50.77 1.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 10.0 109.294 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 65.93 -160.73 44.82 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.507 1.129 . . . . 10.0 111.007 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -126.38 175.33 7.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 0.753 . . . . 10.0 109.291 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.645 HG23 ' N ' ' A' ' 88' ' ' THR . 5.1 m -133.37 -147.04 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 10.0 109.266 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.645 ' N ' HG23 ' A' ' 87' ' ' VAL . 3.8 m -154.91 135.99 13.87 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.504 1.127 . . . . 10.0 110.392 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.76 ' HB3' ' HA ' ' A' ' 40' ' ' GLU . . . -85.18 175.58 8.88 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 10.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.439 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 12.1 t0 -84.26 -96.08 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 10.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.439 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 8.9 pttt -138.48 12.04 2.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 10.0 109.274 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -157.78 26.08 0.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 10.0 109.286 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.491 ' CA ' ' HB1' ' A' ' 89' ' ' ALA . . . 92.07 -34.79 4.25 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.496 1.122 . . . . 10.0 111.008 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.507 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 20.5 t -38.98 100.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.485 0.756 . . . . 10.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -105.65 117.98 35.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 10.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.45 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 2.8 p-10 -106.87 152.93 23.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.108 . . . . 10.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 97.7 t -127.63 159.28 38.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 10.0 109.311 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 59.6 p -165.39 90.69 0.49 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 10.0 109.975 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 6.7 mt -120.34 149.84 23.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 10.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -141.76 88.62 2.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 10.0 110.316 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.43 ' O ' ' HA ' ' A' ' 28' ' ' PRO . 0.6 OUTLIER -128.03 156.84 42.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 10.0 109.265 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 89.0 p -120.11 28.83 7.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 10.0 110.023 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 95.7 t -90.55 -36.84 8.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 10.0 109.302 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.566 HG13 HG21 ' A' ' 112' ' ' ILE . 0.2 OUTLIER -83.25 -171.16 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.16 . . . . 10.0 109.288 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.581 ' O ' HG23 ' A' ' 112' ' ' ILE . 17.6 t -160.79 170.59 20.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 10.0 110.008 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.468 ' HA ' ' CD1' ' A' ' 112' ' ' ILE . 9.0 mp -92.15 -42.94 9.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 10.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.46 80.09 1.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 10.0 110.001 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -151.15 -99.75 0.2 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.477 1.11 . . . . 10.0 110.97 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -113.92 -34.02 5.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 0.781 . . . . 10.0 109.25 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 11.5 m80 -119.7 65.15 0.81 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.57 1.169 . . . . 10.0 109.614 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 97.7 p -68.81 125.19 25.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 10.0 109.968 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.581 HG23 ' O ' ' A' ' 105' ' ' SER . 0.2 OUTLIER -83.98 -3.25 7.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 10.0 109.283 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.441 HD13 HG12 ' A' ' 151' ' ' ILE . 5.2 mt -72.92 150.67 8.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 10.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 65.03 24.83 70.51 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.49 1.119 . . . . 10.0 110.981 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 23.2 mtp180 -116.0 59.66 0.73 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 0.78 . . . . 10.0 110.315 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.818 HG22 ' CG ' ' A' ' 48' ' ' HIS . 1.2 t -56.66 166.51 0.92 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 10.0 110.404 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.979 ' O ' HD22 ' A' ' 117' ' ' LEU . 0.0 OUTLIER -130.35 115.04 16.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 10.0 109.307 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.7 HG12 ' H ' ' A' ' 144' ' ' LEU . 0.1 OUTLIER -113.08 78.61 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.127 . . . . 10.0 109.29 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.837 HG23 HD12 ' A' ' 144' ' ' LEU . 1.5 m -49.43 145.96 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 10.0 109.297 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.604 ' CD2' ' O ' ' A' ' 122' ' ' LYS . 0.8 OUTLIER -83.85 161.86 20.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 10.0 109.645 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.502 ' O ' ' CB ' ' A' ' 122' ' ' LYS . 5.8 tt0 -96.45 54.14 1.35 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 10.0 110.258 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.604 ' O ' ' CD2' ' A' ' 120' ' ' HIS . 0.3 OUTLIER 164.18 157.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 10.0 109.272 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -92.19 129.18 38.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.572 1.17 . . . . 10.0 109.279 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -62.46 -13.82 34.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 10.0 109.31 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 22.4 t0 60.84 26.92 16.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 10.0 109.283 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 7.0 mt 53.57 20.33 2.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 10.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 123.44 86.74 0.77 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.542 1.151 . . . . 10.0 110.951 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.78 -33.5 4.46 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.557 0.798 . . . . 10.0 109.273 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 103.03 -5.49 50.14 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.51 1.131 . . . . 10.0 110.965 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -69.73 -164.23 4.25 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.996 -0.842 . . . . 10.0 110.996 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . 0.471 ' O ' ' CB ' ' A' ' 132' ' ' GLU . 7.9 m120 -148.42 127.67 12.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 0.758 . . . . 10.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.471 ' CB ' ' O ' ' A' ' 131' ' ' ASN . 13.0 tt0 84.01 -11.07 0.88 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 10.0 110.265 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -118.0 -57.87 2.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.417 1.073 . . . . 10.0 110.284 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . 0.546 ' HA ' ' CA ' ' A' ' 138' ' ' GLY . 0.0 OUTLIER -84.34 -29.57 26.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 10.0 110.007 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.84 -4.27 23.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 10.0 110.398 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.617 ' HG2' HG23 ' A' ' 137' ' ' THR . 2.4 ttpt -105.59 -59.75 1.72 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 10.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . 0.617 HG23 ' HG2' ' A' ' 136' ' ' LYS . 23.4 p -117.73 -32.98 4.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.088 . . . . 10.0 110.39 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . 0.546 ' CA ' ' HA ' ' A' ' 134' ' ' SER . . . 120.89 8.8 7.86 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.518 1.136 . . . . 10.0 110.976 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . 0.509 ' CB ' ' O ' ' A' ' 138' ' ' GLY . 5.1 t-20 83.76 25.18 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 0.775 . . . . 10.0 109.344 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.421 ' O ' ' ND1' ' A' ' 120' ' ' HIS . . . -161.44 79.12 0.58 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 10.0 109.317 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -147.43 81.54 0.2 Allowed Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.495 1.122 . . . . 10.0 111.024 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.81 5.9 5.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.413 0.714 . . . . 10.0 109.992 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 59.27 -175.99 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 10.0 110.263 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.97 HD13 HG21 ' A' ' 14' ' ' VAL . 15.4 mt -155.35 -99.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 10.0 109.364 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . 0.678 ' HB3' HD12 ' A' ' 8' ' ' LEU . . . -108.84 156.81 19.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 10.0 109.323 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' CYS . . . . . 1.236 ' SG ' ' SG ' ' A' ' 57' ' ' CYS . 1.2 p -121.2 72.63 1.0 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 10.0 108.307 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . 0.584 ' H ' HD13 ' A' ' 8' ' ' LEU . . . -51.7 -45.16 54.97 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.475 1.11 . . . . 10.0 111.009 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.513 ' N ' ' OG1' ' A' ' 116' ' ' THR . 2.2 t 66.89 114.98 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 0.772 . . . . 10.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' ILE . . . . . 0.606 HG13 ' HB2' ' A' ' 6' ' ' ALA . 4.2 mp -84.01 93.53 3.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.501 1.126 . . . . 10.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -113.96 158.41 14.32 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.483 1.114 . . . . 10.0 110.996 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . 0.954 HD12 ' CG2' ' A' ' 2' ' ' THR . 35.1 mm -66.28 147.47 12.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.433 0.725 . . . . 10.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . 0.459 ' HB3' HG23 ' A' ' 5' ' ' VAL . . . -143.06 167.48 21.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 10.0 109.298 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 10.0 110.268 -179.961 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.84 ' HB3' ' O ' ' A' ' 22' ' ' GLN . . . . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.286 -0.635 . . . . 10.0 109.286 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.9 p -139.34 176.63 8.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 10.0 110.412 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.803 ' O ' ' HB3' ' A' ' 152' ' ' ALA . 0.0 OUTLIER -94.76 131.67 40.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 10.0 109.267 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.508 ' CB ' HG22 ' A' ' 149' ' ' ILE . . . -107.43 163.54 12.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 10.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.863 HG23 ' HB2' ' A' ' 152' ' ' ALA . 14.0 t -130.4 159.7 42.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 10.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.761 ' HB1' ' O ' ' A' ' 147' ' ' GLY . . . -155.99 91.67 1.3 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 10.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 56.6 t -82.42 98.45 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 10.0 109.325 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.575 HD22 ' HA3' ' A' ' 147' ' ' GLY . 3.1 mm? -41.09 144.06 0.33 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 10.0 109.294 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.714 ' H ' ' HB1' ' A' ' 145' ' ' ALA . 9.0 tttt 178.2 125.13 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 10.0 109.299 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 170.82 -91.73 0.1 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.57 1.169 . . . . 10.0 110.995 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.434 ' OD2' HD23 ' A' ' 144' ' ' LEU . 26.5 t0 -40.04 -66.32 0.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 0.77 . . . . 10.0 109.271 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.401 ' N ' ' CD ' ' A' ' 13' ' ' PRO . . . 157.49 -56.55 0.37 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.502 1.126 . . . . 10.0 110.994 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.41 ' O ' ' O ' ' A' ' 36' ' ' LYS . 18.3 Cg_endo -74.99 -52.37 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.518 1.799 . . . . 10.0 111.016 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.478 HG22 HD12 ' A' ' 38' ' ' LEU . 71.7 t -62.38 94.7 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 10.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -133.87 50.3 2.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 10.0 110.277 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.497 ' N ' ' HB2' ' A' ' 8' ' ' LEU . . . -75.61 -171.62 30.72 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.474 1.109 . . . . 10.0 110.982 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.423 HG13 ' C ' ' A' ' 16' ' ' GLY . 65.0 mt -142.98 116.97 3.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.531 0.783 . . . . 10.0 109.315 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.774 ' C ' HD13 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -122.61 133.34 69.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 10.0 109.291 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -122.65 150.66 42.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 10.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.814 ' CE2' HG22 ' A' ' 31' ' ' VAL . 2.9 m-85 -123.93 94.13 4.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 10.0 110.99 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.473 ' HA ' ' CB ' ' A' ' 3' ' ' LYS . 32.9 tt0 -83.75 122.89 29.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 10.0 110.275 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.869 ' CG ' HG22 ' A' ' 29' ' ' VAL . 0.3 OUTLIER -150.41 61.62 0.96 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.453 1.095 . . . . 10.0 110.324 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.478 ' HA ' ' O ' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -94.87 65.18 2.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 10.0 109.3 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.433 ' HB3' ' N ' ' A' ' 27' ' ' GLY . 1.2 mt-10 -155.6 138.82 15.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 10.0 110.325 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 53.5 m -77.02 -7.49 55.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 10.0 110.02 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 12.0 m-20 -155.47 28.94 0.39 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 10.0 109.262 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.433 ' N ' ' HB3' ' A' ' 24' ' ' GLU . . . -108.53 156.01 15.9 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.468 1.105 . . . . 10.0 110.981 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.443 ' HA ' ' O ' ' A' ' 101' ' ' ASP . 18.5 Cg_endo -75.01 168.23 25.29 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.503 1.791 . . . . 10.0 111.025 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.869 HG22 ' CG ' ' A' ' 22' ' ' GLN . 42.8 t -96.08 98.02 7.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 10.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.464 ' HG2' ' CG ' ' A' ' 100' ' ' GLU . 34.0 mttt -60.66 89.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 10.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.814 HG22 ' CE2' ' A' ' 20' ' ' PHE . 45.6 t -84.76 117.91 30.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 10.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -149.93 160.93 43.22 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.955 -1.128 . . . . 10.0 107.955 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.433 ' O ' ' HA ' ' A' ' 96' ' ' ASP . . . 175.59 -171.26 44.36 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.53 1.144 . . . . 10.0 111.011 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 80.4 p -156.68 122.72 4.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 0.766 . . . . 10.0 109.999 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.872 HG21 HD13 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -83.87 165.83 2.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.434 1.084 . . . . 10.0 109.274 -179.943 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.507 ' N ' HG23 ' A' ' 35' ' ' ILE . 21.3 mttm -156.06 108.26 2.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 10.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.457 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 144.24 -47.89 0.75 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.504 1.127 . . . . 10.0 110.967 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.872 HD13 HG21 ' A' ' 35' ' ' ILE . 3.5 mp -51.98 -172.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 0.767 . . . . 10.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.437 ' O ' ' NE2' ' A' ' 43' ' ' HIS . 21.5 p -132.73 137.31 46.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 10.0 110.401 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.718 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 5.6 pt-20 -36.63 122.06 0.77 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.574 1.171 . . . . 10.0 110.301 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.514 ' C ' HD13 ' A' ' 42' ' ' LEU . . . 146.51 -157.58 27.44 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.451 1.094 . . . . 10.0 111.023 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.769 HD13 ' N ' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -92.18 157.43 16.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 0.752 . . . . 10.0 109.314 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.619 ' CG ' HD23 ' A' ' 38' ' ' LEU . 87.3 m-70 -154.92 148.87 25.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 10.0 109.62 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -48.12 176.91 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.468 1.105 . . . . 10.0 111.028 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.787 ' CZ ' HD22 ' A' ' 84' ' ' LEU . 2.2 t80 -104.7 155.02 19.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 0.79 . . . . 10.0 111.03 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.42 ' O ' ' HB ' ' A' ' 47' ' ' VAL . 0.4 OUTLIER -60.94 177.18 0.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.429 1.081 . . . . 10.0 109.612 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.42 ' HB ' ' O ' ' A' ' 46' ' ' HIS . 11.7 t 75.35 111.88 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 10.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.56 ' CD2' ' HG3' ' A' ' 143' ' ' ARG . 44.8 p-80 -147.67 59.76 1.14 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 10.0 109.556 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -167.48 176.59 6.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 10.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.428 ' HA ' ' OD1' ' A' ' 65' ' ' ASN . 1.3 mt-10 -70.98 -87.75 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 10.0 110.261 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -121.27 -164.85 1.16 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 10.0 110.345 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.401 ' O ' ' OD1' ' A' ' 53' ' ' ASN . 4.9 m-20 -136.23 116.79 13.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 10.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.401 ' OD1' ' O ' ' A' ' 52' ' ' ASP . 14.3 m-20 176.27 62.7 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 10.0 109.341 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.588 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 10.0 t -150.42 -45.22 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 10.0 110.381 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.588 ' HB2' ' O ' ' A' ' 54' ' ' THR . . . 170.9 -95.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 10.0 109.258 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -143.35 -90.61 0.13 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.508 1.13 . . . . 10.0 110.943 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 2.0 t -117.61 111.21 18.89 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.336 -0.987 . . . . 10.0 108.336 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.8 p -140.94 107.18 5.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 10.0 110.444 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 89.4 p -43.71 101.43 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.104 . . . . 10.0 109.947 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -123.78 -75.28 0.6 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 10.0 109.238 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 172.0 99.78 0.13 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.5 1.125 . . . . 10.0 111.022 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 119.64 5.72 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.527 1.804 . . . . 10.0 110.987 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 35.0 m80 -137.52 29.97 2.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 10.0 109.619 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.403 ' CE2' ' HA3' ' A' ' 82' ' ' GLY . 0.1 OUTLIER 43.7 -167.77 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 10.0 111.019 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.428 ' OD1' ' HA ' ' A' ' 50' ' ' GLU . 3.4 t30 -124.01 153.05 67.65 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.513 1.133 . . . . 10.0 109.335 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -30.15 7.47 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.477 1.778 . . . . 10.0 110.97 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.48 ' HB3' ' CG2' ' A' ' 81' ' ' VAL . 0.2 OUTLIER -43.28 -52.04 5.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 10.0 109.296 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.44 ' O ' ' HB2' ' A' ' 69' ' ' ARG . 89.4 p -69.61 -32.04 70.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 10.0 110.012 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.44 ' HB2' ' O ' ' A' ' 68' ' ' SER . 0.3 OUTLIER 67.91 -64.47 0.28 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 10.0 110.313 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.494 ' CB ' ' O ' ' A' ' 135' ' ' THR . 0.0 OUTLIER -163.38 166.06 23.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 10.0 109.322 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -64.22 151.06 44.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 10.0 109.619 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 175.65 -120.85 0.78 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.47 1.106 . . . . 10.0 110.979 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 114.11 -76.73 0.25 Allowed Glycine 0 CA--C 1.531 1.051 0 N-CA-C 110.952 -0.859 . . . . 10.0 110.952 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -21.7 15.53 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.546 1.814 . . . . 10.0 111.006 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -128.9 40.03 3.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 10.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 164.82 124.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.55 1.156 . . . . 10.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.448 ' O ' ' CG ' ' A' ' 77' ' ' GLU . 9.5 tt0 -94.65 -7.1 41.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 10.0 110.322 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.9 -60.93 2.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 10.0 110.3 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.11 143.37 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 10.0 110.298 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 170.68 -34.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 10.0 109.603 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.48 ' CG2' ' HB3' ' A' ' 67' ' ' LEU . 49.0 t -109.03 81.37 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 10.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.403 ' HA3' ' CE2' ' A' ' 64' ' ' PHE . . . 119.8 -46.73 1.09 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.499 1.124 . . . . 10.0 110.986 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -99.77 140.79 33.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 0.752 . . . . 10.0 109.283 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.787 HD22 ' CZ ' ' A' ' 45' ' ' PHE . 4.8 tt -154.32 -73.45 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 10.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -165.55 -176.68 37.24 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.502 1.126 . . . . 10.0 111.028 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 12.6 m-20 -97.45 144.17 27.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 0.764 . . . . 10.0 109.28 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.478 HG22 ' O ' ' A' ' 43' ' ' HIS . 17.1 m -92.52 -166.51 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 10.0 109.248 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.426 ' HA ' ' O ' ' A' ' 41' ' ' GLY . 87.2 m -153.83 136.44 15.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 10.0 110.39 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.718 ' HB3' ' HA ' ' A' ' 40' ' ' GLU . . . -92.12 175.86 6.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 10.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.45 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 11.4 t0 -80.59 -97.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 10.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.45 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 7.7 pttt -137.14 10.87 3.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 10.0 109.342 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -158.0 25.26 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 10.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.525 ' CA ' ' HB1' ' A' ' 89' ' ' ALA . . . 95.55 -38.88 2.98 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.503 1.127 . . . . 10.0 111.029 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.464 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 21.3 t -36.76 99.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.489 0.758 . . . . 10.0 109.335 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 93' ' ' GLY . . . -103.06 119.24 38.5 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.478 1.111 . . . . 10.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.433 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 4.1 p-10 -107.17 148.51 28.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.56 1.163 . . . . 10.0 109.301 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 29.7 t -121.38 159.6 23.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 10.0 109.331 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 95.9 p -170.54 83.75 0.1 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 10.0 109.97 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 5.1 mt -126.24 157.26 36.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 10.0 109.278 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.464 ' CG ' ' HG2' ' A' ' 30' ' ' LYS . 8.4 mt-10 -130.74 103.11 6.41 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.536 1.147 . . . . 10.0 110.286 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.443 ' O ' ' HA ' ' A' ' 28' ' ' PRO . 8.2 m-20 -98.56 116.58 31.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 10.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.65 ' O ' HG13 ' A' ' 103' ' ' VAL . 77.6 p -105.83 74.2 1.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 10.0 109.995 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.65 HG13 ' O ' ' A' ' 102' ' ' SER . 0.0 OUTLIER -163.29 -47.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 10.0 109.289 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.55 ' H ' HD13 ' A' ' 104' ' ' ILE . 0.2 OUTLIER -87.01 172.67 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 10.0 109.334 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.835 ' O ' HG23 ' A' ' 112' ' ' ILE . 2.2 t -152.3 171.59 17.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 10.0 110.006 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.573 ' HB2' ' HB1' ' A' ' 1' ' ' ALA . 0.2 OUTLIER -74.53 -42.19 59.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 10.0 109.308 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.14 158.29 44.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 10.0 109.996 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 131.17 -81.9 0.32 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.509 1.131 . . . . 10.0 111.003 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -142.41 -47.32 0.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 0.785 . . . . 10.0 109.315 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 16.3 m80 -100.02 66.93 1.38 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 10.0 109.604 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 81.2 p -65.81 135.45 54.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.565 1.166 . . . . 10.0 110.007 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.835 HG23 ' O ' ' A' ' 105' ' ' SER . 1.0 OUTLIER -85.08 -33.32 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.424 1.078 . . . . 10.0 109.283 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.563 HD11 HG12 ' A' ' 151' ' ' ILE . 7.7 mt -47.09 134.92 3.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.565 1.166 . . . . 10.0 109.336 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 122.64 -14.62 8.6 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.483 1.114 . . . . 10.0 111.027 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.481 ' O ' HD12 ' A' ' 149' ' ' ILE . 0.0 OUTLIER -96.77 173.78 7.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.439 0.729 . . . . 10.0 110.334 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.989 HG23 HG23 ' A' ' 118' ' ' VAL . 13.9 t -158.08 132.55 8.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 10.0 110.372 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.514 ' HB3' HG21 ' A' ' 18' ' ' ILE . 0.1 OUTLIER -71.88 62.53 0.44 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 10.0 109.258 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.989 HG23 HG23 ' A' ' 116' ' ' THR . 2.9 t -73.53 152.84 7.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 10.0 109.292 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -125.79 -171.78 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 10.0 109.318 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 31.6 m-70 -140.85 148.04 39.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 10.0 109.622 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.539 ' O ' ' CB ' ' A' ' 122' ' ' LYS . 6.7 tt0 -84.55 46.66 1.26 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 10.0 110.267 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.747 ' HB3' ' HB1' ' A' ' 140' ' ' ALA . 0.0 OUTLIER 161.24 168.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 10.0 109.296 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.468 ' HB2' ' HB2' ' A' ' 42' ' ' LEU . . . -99.46 163.37 12.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 10.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -79.65 -11.83 59.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 10.0 109.325 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 4.1 t70 65.47 28.07 11.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 10.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 6.3 mt 54.58 20.07 2.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 10.0 109.29 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 111.86 102.27 2.62 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.513 1.133 . . . . 10.0 110.995 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.59 -75.33 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 0.734 . . . . 10.0 109.275 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 148.38 -18.22 1.32 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.49 1.119 . . . . 10.0 110.991 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -59.37 -162.46 0.08 OUTLIER Glycine 0 CA--C 1.529 0.937 0 N-CA-C 111.034 -0.826 . . . . 10.0 111.034 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . 0.493 ' O ' ' CB ' ' A' ' 132' ' ' GLU . 8.4 p30 -144.83 129.68 18.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 0.724 . . . . 10.0 109.279 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.493 ' CB ' ' O ' ' A' ' 131' ' ' ASN . 0.9 OUTLIER 85.43 -11.13 0.74 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.16 . . . . 10.0 110.323 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -111.05 -65.44 1.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 10.0 110.293 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 76.6 p -74.38 -24.56 59.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.469 1.106 . . . . 10.0 110.019 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . 0.494 ' O ' ' CB ' ' A' ' 70' ' ' LYS . 8.5 p -71.05 -10.16 59.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 10.0 110.41 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.7 -55.32 2.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 10.0 109.28 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 60.0 p -118.4 -87.81 0.62 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 10.0 110.385 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 177.14 37.7 0.06 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.456 1.097 . . . . 10.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 41.15 46.05 2.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 0.74 . . . . 10.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.747 ' HB1' ' HB3' ' A' ' 122' ' ' LYS . . . -172.77 -40.11 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 10.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 140' ' ' ALA . . . -35.66 96.14 0.01 OUTLIER Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.536 1.148 . . . . 10.0 110.981 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 140' ' ' ALA . 11.7 t -107.53 98.74 8.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 0.766 . . . . 10.0 109.997 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . 0.56 ' HG3' ' CD2' ' A' ' 48' ' ' HIS . 1.0 OUTLIER -42.95 151.54 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 10.0 110.31 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.434 HD23 ' OD2' ' A' ' 11' ' ' ASP . 1.0 OUTLIER -140.59 -128.84 0.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.123 . . . . 10.0 109.31 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . 0.714 ' HB1' ' H ' ' A' ' 9' ' ' LYS . . . -65.69 174.93 2.07 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.1 . . . . 10.0 109.253 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 8.6 p -140.72 71.46 1.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 10.0 108.261 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . 0.761 ' O ' ' HB1' ' A' ' 6' ' ' ALA . . . -68.29 66.7 0.38 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.57 1.169 . . . . 10.0 111.047 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.457 ' CG2' ' HB ' ' A' ' 116' ' ' THR . 1.2 t -60.97 133.1 26.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.526 0.78 . . . . 10.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' ILE . . . . . 0.508 HG22 ' CB ' ' A' ' 4' ' ' ALA . 3.0 mp -77.14 127.78 38.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 10.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -134.91 148.1 19.42 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.559 1.162 . . . . 10.0 110.989 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . 0.563 HG12 HD11 ' A' ' 113' ' ' ILE . 21.4 mm -43.77 143.81 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.536 0.786 . . . . 10.0 109.334 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . 0.863 ' HB2' HG23 ' A' ' 5' ' ' VAL . . . -124.51 172.09 9.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 10.0 109.273 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 10.0 110.332 179.95 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 22' ' ' GLN . . . . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.326 -0.62 . . . . 10.0 109.326 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.757 HG23 ' CD1' ' A' ' 151' ' ' ILE . 35.6 m -83.47 70.81 10.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 10.0 110.385 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.13 97.53 9.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.568 1.168 . . . . 10.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.88 ' HB3' ' HB2' ' A' ' 20' ' ' PHE . . . -84.86 153.81 22.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 10.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.457 HG23 ' HB2' ' A' ' 152' ' ' ALA . 10.5 t -126.05 150.93 31.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 10.0 109.266 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.588 ' HB1' ' C ' ' A' ' 147' ' ' GLY . . . -156.27 88.69 1.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 10.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.575 ' O ' HG13 ' A' ' 7' ' ' VAL . 14.5 p -81.81 99.78 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 10.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.563 HD21 ' CG2' ' A' ' 18' ' ' ILE . 0.7 OUTLIER -46.66 138.83 5.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.148 . . . . 10.0 109.29 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.429 ' H ' ' HB1' ' A' ' 145' ' ' ALA . 19.6 tttt -169.71 112.76 0.49 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 10.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 11' ' ' ASP . . . -156.6 -102.61 0.19 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.491 1.119 . . . . 10.0 110.986 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.909 ' HB2' HD22 ' A' ' 144' ' ' LEU . 38.4 t0 -40.27 -66.46 0.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 0.753 . . . . 10.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 160.37 -62.39 0.29 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.496 1.123 . . . . 10.0 110.967 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 54.65 3.71 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.514 1.797 . . . . 10.0 111.012 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.576 HG13 ' O ' ' A' ' 14' ' ' VAL . 3.4 p -173.41 109.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 10.0 109.307 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -132.12 48.11 2.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 10.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.501 ' N ' ' HB2' ' A' ' 8' ' ' LEU . . . -51.37 168.84 0.46 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.481 1.113 . . . . 10.0 110.985 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.423 HG13 ' C ' ' A' ' 16' ' ' GLY . 64.6 mt -142.13 98.85 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 0.765 . . . . 10.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.66 HD12 ' N ' ' A' ' 19' ' ' ASN . 0.1 OUTLIER -109.24 133.73 53.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 10.0 109.289 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.66 ' N ' HD12 ' A' ' 18' ' ' ILE . 0.1 OUTLIER -131.06 144.32 51.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 10.0 109.302 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.88 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 25.0 m-85 -114.31 107.88 16.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 10.0 110.988 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 30' ' ' LYS . 5.0 tt0 -100.0 150.93 21.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 10.0 110.29 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' A' ' 1' ' ' ALA . 10.8 tt0 -150.96 83.41 1.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 10.0 110.336 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.3 mttt -75.74 57.99 1.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 10.0 109.283 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.515 ' O ' ' CB ' ' A' ' 25' ' ' SER . 3.8 mp0 -155.62 -47.13 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 10.0 110.305 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.515 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 1.4 t 86.47 -14.87 0.48 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 10.0 109.981 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -157.51 25.29 0.29 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 10.0 109.336 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -125.1 -144.25 6.26 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.486 1.116 . . . . 10.0 110.971 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.483 ' HA ' ' O ' ' A' ' 101' ' ' ASP . 18.4 Cg_endo -75.0 152.84 41.24 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.541 1.811 . . . . 10.0 110.993 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.458 HG22 ' HG3' ' A' ' 22' ' ' GLN . 49.0 t -115.18 109.9 30.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 10.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 21' ' ' GLU . 40.5 mttt -74.32 97.59 3.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 10.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.744 HG22 ' CD2' ' A' ' 20' ' ' PHE . 23.8 t -95.57 130.27 44.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 10.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.53 ' O ' HD12 ' A' ' 18' ' ' ILE . 7.0 p90 -158.2 150.54 22.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 10.0 107.985 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.403 ' O ' ' HA ' ' A' ' 96' ' ' ASP . . . -159.86 -176.41 31.91 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.474 1.109 . . . . 10.0 111.011 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 7.5 p -156.28 118.99 4.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 0.77 . . . . 10.0 109.981 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.801 ' O ' HG13 ' A' ' 94' ' ' VAL . 0.2 OUTLIER -87.18 166.36 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 10.0 109.301 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.6 ' HA ' HG22 ' A' ' 94' ' ' VAL . 0.0 OUTLIER -161.95 112.21 1.58 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 10.0 109.314 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.409 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 134.97 -36.36 2.07 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.511 1.132 . . . . 10.0 110.97 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.603 HD13 HG21 ' A' ' 35' ' ' ILE . 0.2 OUTLIER -54.31 -169.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 0.76 . . . . 10.0 109.311 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.419 ' O ' ' NE2' ' A' ' 43' ' ' HIS . 3.3 p -121.44 132.42 54.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 10.0 110.434 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.764 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 0.4 OUTLIER -46.67 132.09 11.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 10.0 110.329 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.468 ' C ' HD13 ' A' ' 42' ' ' LEU . . . 136.02 -146.02 18.0 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.521 1.138 . . . . 10.0 111.016 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.507 HD13 ' N ' ' A' ' 42' ' ' LEU . 0.2 OUTLIER -96.24 151.35 19.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 0.805 . . . . 10.0 109.275 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.578 ' N ' ' HB2' ' A' ' 123' ' ' ALA . 66.5 m-70 -155.27 166.93 32.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 10.0 109.613 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.599 ' C ' ' CD1' ' A' ' 45' ' ' PHE . . . -119.09 144.94 18.05 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.473 1.108 . . . . 10.0 110.981 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.741 ' HD2' HG12 ' A' ' 119' ' ' VAL . 4.4 m-85 -155.88 136.66 13.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 0.772 . . . . 10.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.457 ' O ' HG22 ' A' ' 118' ' ' VAL . 23.6 p80 -178.21 176.25 1.12 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 10.0 109.581 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.479 ' CG1' ' N ' ' A' ' 48' ' ' HIS . 44.6 t -57.12 165.19 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.452 1.095 . . . . 10.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.571 ' CD2' ' HG3' ' A' ' 143' ' ' ARG . 0.0 OUTLIER -167.16 157.28 11.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 10.0 109.596 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.469 ' O ' ' CB ' ' A' ' 50' ' ' GLU . 0.2 OUTLIER -152.91 161.37 42.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 10.0 110.302 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.502 ' O ' ' CB ' ' A' ' 51' ' ' GLU . 3.7 tt0 83.65 -179.79 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 10.0 110.299 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.502 ' CB ' ' O ' ' A' ' 50' ' ' GLU . 5.0 tp10 86.04 -54.43 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 10.0 110.261 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 51' ' ' GLU . 2.0 m-20 40.08 84.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 10.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.0 m-20 175.03 72.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 10.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.644 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 0.1 OUTLIER -152.4 -48.47 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 10.0 110.432 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.644 ' HB2' ' O ' ' A' ' 54' ' ' THR . . . 167.2 -87.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 10.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -113.42 60.73 0.35 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.48 1.112 . . . . 10.0 111.026 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -146.02 110.98 5.25 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.27 -1.011 . . . . 10.0 108.27 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 56.0 p -91.68 -145.27 0.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 10.0 110.43 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.467 ' O ' ' HB3' ' A' ' 60' ' ' ALA . 5.1 t -131.7 -65.55 0.75 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 10.0 109.97 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.467 ' HB3' ' O ' ' A' ' 59' ' ' SER . . . 69.71 -61.52 0.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 10.0 109.331 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -152.0 109.51 0.42 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.485 1.116 . . . . 10.0 110.999 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 57.98 4.74 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.498 1.788 . . . . 10.0 111.009 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.406 ' O ' ' CG ' ' A' ' 63' ' ' HIS . 51.2 p-80 -122.45 77.56 1.43 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.452 1.095 . . . . 10.0 109.586 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -41.4 -88.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 10.0 111.02 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -155.06 91.17 2.93 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 10.0 109.274 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 84.8 1.6 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.465 1.771 . . . . 10.0 111.002 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.629 ' C ' HD13 ' A' ' 67' ' ' LEU . 2.7 tm? -155.76 -50.14 0.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.572 1.17 . . . . 10.0 109.252 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 17.4 t -153.14 22.67 0.56 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 10.0 110.014 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -72.45 59.78 0.44 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 10.0 110.304 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.468 ' O ' ' C ' ' A' ' 71' ' ' HIS . 0.4 OUTLIER -179.35 162.21 1.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 10.0 109.317 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.615 ' CG ' ' O ' ' A' ' 71' ' ' HIS . 0.7 OUTLIER -33.91 103.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 10.0 109.598 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.452 ' CA ' ' HA ' ' A' ' 76' ' ' ASP . . . 168.94 164.83 25.32 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.444 1.09 . . . . 10.0 111.013 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 111.46 -139.96 15.85 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 111.021 -0.831 . . . . 10.0 111.021 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.473 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 18.1 Cg_endo -75.07 75.89 3.59 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.445 1.761 . . . . 10.0 110.977 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.519 ' O ' ' CG ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER 85.89 24.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 10.0 109.308 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.452 ' HA ' ' CA ' ' A' ' 72' ' ' GLY . 0.0 OUTLIER 69.89 85.52 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 10.0 109.297 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -116.35 -14.26 11.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 10.0 110.295 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 61.15 145.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 10.0 110.286 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.423 ' HD3' ' NE2' ' A' ' 46' ' ' HIS . 71.8 mtt180 64.21 76.53 0.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.153 . . . . 10.0 110.341 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 -101.45 -4.61 26.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 10.0 109.588 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.66 HG12 ' N ' ' A' ' 82' ' ' GLY . 2.8 t -101.02 -80.77 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 10.0 109.35 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.66 ' N ' HG12 ' A' ' 81' ' ' VAL . . . -49.52 -48.44 34.93 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.444 1.09 . . . . 10.0 111.002 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.4 ' HB2' ' CD2' ' A' ' 46' ' ' HIS . 6.2 t70 -90.42 124.84 35.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 0.753 . . . . 10.0 109.266 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.5 tt -89.12 -26.1 21.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 10.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 158.82 -169.61 35.18 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.488 1.118 . . . . 10.0 110.998 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.519 ' ND2' ' HB1' ' A' ' 123' ' ' ALA . 1.0 OUTLIER -94.49 156.57 16.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 0.751 . . . . 10.0 109.318 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.489 ' CG2' ' CE1' ' A' ' 45' ' ' PHE . 30.6 m -118.94 -175.11 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 10.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.7 m -135.93 129.11 31.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 10.0 110.351 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.764 ' HB3' ' HA ' ' A' ' 40' ' ' GLU . . . -84.5 173.89 10.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 10.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.447 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 10.1 t70 -83.19 -100.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 10.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.447 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 17.7 mtmt -135.48 6.82 3.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 10.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -142.67 15.6 1.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 10.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.475 ' HA3' ' C ' ' A' ' 38' ' ' LEU . . . 93.13 -30.05 7.53 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.514 1.134 . . . . 10.0 111.003 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.801 HG13 ' O ' ' A' ' 35' ' ' ILE . 89.7 t -42.92 107.86 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 0.769 . . . . 10.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -114.87 124.13 50.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 10.0 109.251 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.403 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 0.5 OUTLIER -110.93 150.65 28.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 10.0 109.277 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' A' ' 32' ' ' TRP . 60.8 t -130.6 159.92 42.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 10.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.404 ' N ' HG12 ' A' ' 97' ' ' VAL . 4.5 t -164.52 98.44 0.79 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 10.0 110.002 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 8.1 mt -130.31 145.93 34.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 10.0 109.294 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 52.8 tt0 -131.09 95.91 3.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 10.0 110.291 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.483 ' O ' ' HA ' ' A' ' 28' ' ' PRO . 0.2 OUTLIER -111.31 162.2 15.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 10.0 109.31 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 78.7 p -131.6 10.98 4.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 10.0 110.008 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 47.6 t -84.48 -36.27 11.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 10.0 109.264 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.692 HG13 HG21 ' A' ' 112' ' ' ILE . 0.1 OUTLIER -89.16 177.3 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 10.0 109.277 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.406 ' O ' ' O ' ' A' ' 110' ' ' HIS . 3.8 t -167.37 139.51 3.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 10.0 109.983 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.596 ' HG ' HD11 ' A' ' 112' ' ' ILE . 2.4 mp -71.63 -27.11 62.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.431 1.082 . . . . 10.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -135.49 133.96 39.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.568 1.167 . . . . 10.0 109.932 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 141.12 -85.06 0.21 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.462 1.101 . . . . 10.0 110.956 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -145.93 -46.81 0.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 0.752 . . . . 10.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.406 ' O ' ' O ' ' A' ' 105' ' ' SER . 7.3 m-70 -85.19 53.43 2.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 10.0 109.605 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.41 115.83 2.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 10.0 109.986 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.692 HG21 HG13 ' A' ' 104' ' ' ILE . 19.4 pt -85.24 -25.39 6.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 10.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 2.4 mt -60.68 127.96 21.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 10.0 109.316 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 116.86 4.28 17.0 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.515 1.134 . . . . 10.0 110.969 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.454 ' HA ' HG22 ' A' ' 47' ' ' VAL . 24.2 mtt180 -84.58 116.56 23.22 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 0.775 . . . . 10.0 110.275 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.835 HG23 HG23 ' A' ' 148' ' ' VAL . 7.5 m -91.71 73.27 5.83 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.128 . . . . 10.0 110.376 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.63 ' O ' HD13 ' A' ' 117' ' ' LEU . 3.2 tm? -63.26 77.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 10.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.743 HG21 ' CB ' ' A' ' 143' ' ' ARG . 13.3 m -80.26 172.38 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 10.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.741 HG12 ' HD2' ' A' ' 45' ' ' PHE . 3.1 m -117.42 139.71 43.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 10.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 74.5 m-70 -105.09 145.22 30.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 10.0 109.619 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -39.09 -52.0 1.87 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 10.0 110.32 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 64.0 mttt -126.67 -167.83 1.78 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 10.0 109.263 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.578 ' HB2' ' N ' ' A' ' 43' ' ' HIS . . . -93.36 179.98 5.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.567 1.167 . . . . 10.0 109.326 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 -70.65 -7.82 47.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 10.0 109.331 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 62.39 25.43 15.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 10.0 109.3 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 16.5 mt 56.9 18.38 3.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 10.0 109.289 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 130' ' ' GLY . . . 89.43 -16.54 55.9 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.484 1.115 . . . . 10.0 111.009 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 3.7 tttt 48.1 31.39 2.48 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 0.757 . . . . 10.0 109.267 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 130' ' ' GLY . . . 73.34 30.93 61.84 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.496 1.122 . . . . 10.0 111.04 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 127' ' ' GLY . . . 58.52 118.73 0.01 OUTLIER Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.019 -0.832 . . . . 10.0 111.019 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . 0.748 ' N ' HG23 ' A' ' 135' ' ' THR . 5.3 t-20 -141.87 155.12 45.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 0.794 . . . . 10.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 131' ' ' ASN . 39.7 mt-10 -36.91 -30.66 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 10.0 110.307 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . 0.48 ' N ' ' O ' ' A' ' 131' ' ' ASN . 0.5 OUTLIER -86.65 -50.0 7.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 10.0 110.262 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 131' ' ' ASN . 0.3 OUTLIER -67.66 -53.84 24.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 10.0 110.021 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . 0.748 HG23 ' N ' ' A' ' 131' ' ' ASN . 52.9 p -46.47 -23.44 0.38 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 10.0 110.371 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.719 ' HG2' HG23 ' A' ' 137' ' ' THR . 5.9 tttt -101.11 -36.17 9.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 10.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . 0.719 HG23 ' HG2' ' A' ' 136' ' ' LYS . 81.8 p -134.76 -96.99 0.26 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 10.0 110.399 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . 0.438 ' N ' ' OG1' ' A' ' 137' ' ' THR . . . 178.95 36.4 0.06 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.504 1.128 . . . . 10.0 110.97 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 41.17 30.84 0.12 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.544 0.791 . . . . 10.0 109.274 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.415 ' N ' ' C ' ' A' ' 138' ' ' GLY . . . -89.24 -60.74 1.87 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 10.0 109.279 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 152.0 -86.81 0.14 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.499 1.124 . . . . 10.0 111.039 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 3.5 t -176.53 146.57 0.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 0.77 . . . . 10.0 110.023 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . 0.743 ' CB ' HG21 ' A' ' 118' ' ' VAL . 0.0 OUTLIER -55.46 166.87 0.56 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 10.0 110.298 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.909 HD22 ' HB2' ' A' ' 11' ' ' ASP . 52.9 mt -146.89 -108.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 10.0 109.341 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . 0.702 ' O ' HG12 ' A' ' 118' ' ' VAL . . . -43.23 163.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 10.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' CYS . . . . . 0.603 ' HA ' HG12 ' A' ' 118' ' ' VAL . 0.8 OUTLIER -136.79 70.21 1.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 10.0 108.305 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . 0.588 ' C ' ' HB1' ' A' ' 6' ' ' ALA . . . -73.68 62.73 1.94 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.502 1.126 . . . . 10.0 111.017 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.835 HG23 HG23 ' A' ' 116' ' ' THR . 4.0 t -65.06 133.5 30.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.505 0.768 . . . . 10.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' ILE . . . . . 0.632 HG23 ' HB1' ' A' ' 4' ' ' ALA . 1.3 mp -63.78 122.42 14.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 10.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -134.8 116.26 1.55 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.476 1.11 . . . . 10.0 110.989 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . 0.757 ' CD1' HG23 ' A' ' 2' ' ' THR . 9.8 mm -47.54 151.47 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 0.767 . . . . 10.0 109.261 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . 0.457 ' HB2' HG23 ' A' ' 5' ' ' VAL . . . -143.66 156.01 44.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 10.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 10.0 110.296 -179.998 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.499 ' N ' ' O ' ' A' ' 22' ' ' GLN . . . . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.306 -0.627 . . . . 10.0 109.306 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.973 HG22 HD12 ' A' ' 151' ' ' ILE . 0.2 OUTLIER -83.75 97.39 9.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 10.0 110.405 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.1 ttpm? -83.02 102.45 11.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 10.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.676 ' HB1' ' CG2' ' A' ' 149' ' ' ILE . . . -86.57 154.86 20.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 10.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.465 HG23 ' HB2' ' A' ' 152' ' ' ALA . 0.7 OUTLIER -127.96 147.08 32.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 10.0 109.282 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.726 ' HB2' HD13 ' A' ' 149' ' ' ILE . . . -151.88 90.35 1.53 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 10.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.766 HG23 HG12 ' A' ' 17' ' ' ILE . 10.3 p -81.65 104.84 10.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 10.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.477 HD23 ' N ' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -45.99 122.93 4.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 10.0 109.289 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.44 -46.14 70.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.562 1.164 . . . . 10.0 109.321 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.408 ' HA3' ' O ' ' A' ' 14' ' ' VAL . . . 73.16 120.03 0.07 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.496 1.123 . . . . 10.0 111.03 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -51.57 -21.99 2.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 0.729 . . . . 10.0 109.256 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 179.12 -60.39 0.08 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.485 1.115 . . . . 10.0 111.022 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -59.25 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.445 1.761 . . . . 10.0 111.044 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.921 HG11 ' HB2' ' A' ' 145' ' ' ALA . 7.4 t -45.46 150.0 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 10.0 109.29 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 175.59 54.02 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.13 . . . . 10.0 110.235 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.452 ' HA3' ' O ' ' A' ' 34' ' ' SER . . . -96.12 -169.69 34.91 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.521 1.138 . . . . 10.0 110.965 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.766 HG12 HG23 ' A' ' 7' ' ' VAL . 52.2 mt -141.08 122.1 13.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.529 0.782 . . . . 10.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.611 HD11 ' CE1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -126.92 126.22 68.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 10.0 109.295 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -113.75 159.44 19.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 10.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.96 ' CE1' HG13 ' A' ' 31' ' ' VAL . 1.5 m-85 -129.23 101.09 5.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 10.0 110.972 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 30' ' ' LYS . 12.0 tt0 -101.0 153.81 19.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 10.0 110.299 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.68 ' HG3' HG22 ' A' ' 29' ' ' VAL . 2.0 tt0 -148.08 62.54 1.11 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.518 1.136 . . . . 10.0 110.259 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.6 mtpt -71.49 64.56 0.43 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.125 . . . . 10.0 109.302 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -152.44 166.25 32.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 10.0 110.276 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 49.5 m -69.84 57.56 0.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 10.0 109.97 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 33.7 m-20 61.15 32.39 19.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 10.0 109.332 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -97.1 -114.14 3.14 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.512 1.133 . . . . 10.0 111.05 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.462 ' HA ' ' O ' ' A' ' 101' ' ' ASP . 18.2 Cg_endo -75.04 163.55 35.03 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.52 1.8 . . . . 10.0 110.996 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.68 HG22 ' HG3' ' A' ' 22' ' ' GLN . 58.5 t -125.49 129.77 72.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 10.0 109.33 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 21' ' ' GLU . 8.6 mttt -87.96 90.86 8.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 10.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.96 HG13 ' CE1' ' A' ' 20' ' ' PHE . 74.0 t -85.02 135.09 25.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 10.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -160.3 156.28 26.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 10.0 107.998 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.426 ' CA ' ' HA ' ' A' ' 18' ' ' ILE . . . -177.1 -171.97 41.2 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.455 1.097 . . . . 10.0 111.022 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.452 ' O ' ' HA3' ' A' ' 16' ' ' GLY . 0.6 OUTLIER -156.98 116.34 3.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 0.754 . . . . 10.0 109.998 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.505 ' HB ' ' HB3' ' A' ' 95' ' ' ALA . 0.3 OUTLIER -83.55 161.72 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 10.0 109.307 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.41 ' N ' HG23 ' A' ' 35' ' ' ILE . 13.0 mttt -151.56 92.97 1.82 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 10.0 109.31 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 150.77 -30.97 1.01 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.49 1.119 . . . . 10.0 111.012 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.819 HD13 ' CD2' ' A' ' 43' ' ' HIS . 8.6 mt -54.72 -167.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 0.749 . . . . 10.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.416 ' O ' ' C ' ' A' ' 40' ' ' GLU . 2.8 p -140.64 126.31 19.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 10.0 110.408 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.651 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 0.9 OUTLIER -37.77 103.36 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 10.0 110.27 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 157.3 170.88 22.69 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.513 1.133 . . . . 10.0 110.996 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.23 160.83 3.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 0.765 . . . . 10.0 109.239 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.819 ' CD2' HD13 ' A' ' 38' ' ' LEU . 76.4 m-70 -149.74 167.58 26.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 10.0 109.649 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.21 178.89 43.52 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.529 1.143 . . . . 10.0 111.021 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.526 ' CZ ' ' NH1' ' A' ' 79' ' ' ARG . 39.2 m-85 -55.2 175.75 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 0.78 . . . . 10.0 110.992 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.707 ' CE1' ' CD1' ' A' ' 117' ' ' LEU . 0.6 OUTLIER -145.18 60.16 1.3 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 10.0 109.552 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 83.0 t -147.59 152.0 13.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 10.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.43 ' O ' ' CB ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -177.38 157.36 1.3 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 10.0 109.596 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.43 ' CB ' ' O ' ' A' ' 48' ' ' HIS . 2.3 tp10 81.02 136.77 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.575 1.172 . . . . 10.0 110.318 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -52.63 -83.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 10.0 110.286 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -118.71 -166.12 1.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 10.0 110.316 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -54.26 107.38 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 10.0 109.284 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 176.37 69.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 10.0 109.32 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.544 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 0.6 OUTLIER -151.86 -50.05 0.11 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 10.0 110.364 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.544 ' HB3' ' O ' ' A' ' 54' ' ' THR . . . 73.54 -58.01 0.61 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 10.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -174.48 54.01 0.14 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.518 1.136 . . . . 10.0 110.982 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 1.426 ' SG ' ' SG ' ' A' ' 146' ' ' CYS . 55.7 m 65.66 134.03 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.307 -0.997 . . . . 10.0 108.307 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 33.7 p -121.23 -144.69 0.35 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.47 1.106 . . . . 10.0 110.377 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -152.41 89.04 1.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 10.0 110.01 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -144.44 -67.57 0.33 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 10.0 109.249 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 162.38 78.65 0.03 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.494 1.122 . . . . 10.0 110.952 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 130.57 13.42 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.499 1.789 . . . . 10.0 111.023 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -137.12 43.69 2.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 10.0 109.594 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 52.02 -172.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 10.0 110.96 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.906 ' HB2' HG11 ' A' ' 81' ' ' VAL . 3.7 m-80 -85.0 131.52 48.55 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 10.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 73.75 4.22 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.458 1.767 . . . . 10.0 111.034 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.553 ' CB ' HG21 ' A' ' 81' ' ' VAL . 0.2 OUTLIER -162.14 -44.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 10.0 109.328 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.483 ' O ' ' HB2' ' A' ' 69' ' ' ARG . 0.9 OUTLIER -63.83 -48.49 76.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 10.0 110.001 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.558 ' O ' ' CB ' ' A' ' 70' ' ' LYS . 0.9 OUTLIER 69.15 -59.47 0.48 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 10.0 110.328 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.558 ' CB ' ' O ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER 92.44 -66.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 10.0 109.305 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.461 ' O ' ' CG ' ' A' ' 71' ' ' HIS . 0.1 OUTLIER -38.66 97.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 10.0 109.617 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 70' ' ' LYS . . . 133.78 -131.14 5.9 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.513 1.133 . . . . 10.0 110.975 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -92.31 137.24 13.62 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.99 -0.844 . . . . 10.0 110.99 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.523 ' HA ' ' CD ' ' A' ' 79' ' ' ARG . 18.4 Cg_endo -74.97 0.9 8.33 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.503 1.791 . . . . 10.0 111.008 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 12.8 pttt 176.98 41.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 10.0 109.282 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -139.89 -69.15 0.41 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 10.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.93 4.95 51.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 10.0 110.343 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 168.55 -161.46 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 10.0 110.278 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.526 ' NH1' ' CZ ' ' A' ' 45' ' ' PHE . 0.3 OUTLIER 63.27 81.23 0.21 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.433 1.083 . . . . 10.0 110.316 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -142.51 29.43 1.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 10.0 109.621 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.906 HG11 ' HB2' ' A' ' 65' ' ' ASN . 4.7 t -130.85 -89.03 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 10.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.74 ' N ' HG12 ' A' ' 81' ' ' VAL . . . -74.11 -28.73 63.76 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.497 1.123 . . . . 10.0 111.02 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.413 ' CG ' ' O ' ' A' ' 74' ' ' PRO . 0.9 OUTLIER -50.84 143.73 9.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 0.748 . . . . 10.0 109.316 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.432 HD22 ' HA ' ' A' ' 84' ' ' LEU . 0.4 OUTLIER -162.03 -60.3 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 10.0 109.281 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 168.06 -136.44 4.1 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.465 1.103 . . . . 10.0 110.963 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 16.2 m-20 -138.66 136.79 36.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 0.753 . . . . 10.0 109.353 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.484 HG23 ' HB2' ' A' ' 43' ' ' HIS . 4.4 m -104.36 153.44 6.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 10.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.5 m -131.22 149.98 52.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 10.0 110.398 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.651 ' HB3' ' HA ' ' A' ' 40' ' ' GLU . . . -85.57 166.67 16.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 10.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.45 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 7.6 t0 -68.44 -95.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.094 . . . . 10.0 109.258 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.509 ' CG ' ' O ' ' A' ' 91' ' ' LYS . 28.6 tttt -141.13 14.07 2.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 10.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -158.95 25.68 0.21 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 10.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.57 ' C ' ' HB1' ' A' ' 89' ' ' ALA . . . 94.19 -38.59 3.1 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.504 1.128 . . . . 10.0 111.023 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.464 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 47.7 t -46.12 103.52 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.521 0.777 . . . . 10.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.505 ' HB3' ' HB ' ' A' ' 35' ' ' ILE . . . -103.95 114.66 29.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 10.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.424 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 1.1 p30 -108.08 150.89 26.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 10.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.487 ' CG1' HD12 ' A' ' 99' ' ' ILE . 42.1 t -123.78 159.72 28.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 10.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 11.8 p -178.77 79.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 10.0 110.0 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.487 HD12 ' CG1' ' A' ' 97' ' ' VAL . 3.0 mp -137.31 165.21 27.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 10.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.45 ' N ' HG22 ' A' ' 99' ' ' ILE . 1.1 tt0 -127.38 106.16 9.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 10.0 110.308 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.55 ' HB2' HD11 ' A' ' 104' ' ' ILE . 25.6 m-20 -84.25 114.44 21.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 10.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 86.7 p -98.36 50.12 1.0 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 10.0 110.018 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 77.0 t -144.26 -46.14 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 10.0 109.32 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.869 HG22 ' CD2' ' A' ' 110' ' ' HIS . 1.0 OUTLIER -92.74 -179.11 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 10.0 109.292 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.525 ' C ' HD23 ' A' ' 106' ' ' LEU . 97.2 p -178.71 -175.38 0.41 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 10.0 110.004 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.923 HD13 HD11 ' A' ' 113' ' ' ILE . 0.1 OUTLIER -109.48 27.64 9.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 10.0 109.332 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.12 179.99 5.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 10.0 109.955 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -78.52 76.03 1.9 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.5 1.125 . . . . 10.0 110.993 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 176.79 -56.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 0.776 . . . . 10.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.869 ' CD2' HG22 ' A' ' 104' ' ' ILE . 10.9 m80 -90.22 -55.75 3.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 10.0 109.617 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 58.4 p 41.66 88.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 10.0 109.992 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.491 HD13 HD13 ' A' ' 104' ' ' ILE . 29.4 pt -96.14 1.32 10.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 10.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.923 HD11 HD13 ' A' ' 106' ' ' LEU . 7.9 mm -67.38 72.05 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 10.0 109.277 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 112' ' ' ILE . . . 172.32 39.07 0.03 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.491 1.119 . . . . 10.0 110.969 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.467 ' O ' ' CD2' ' A' ' 117' ' ' LEU . 0.2 OUTLIER -86.06 104.67 15.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 0.766 . . . . 10.0 110.3 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.712 HG23 HG23 ' A' ' 148' ' ' VAL . 7.7 m -78.72 79.38 5.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 10.0 110.434 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.707 ' CD1' ' CE1' ' A' ' 46' ' ' HIS . 3.1 mm? -61.81 91.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.113 . . . . 10.0 109.271 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.874 HG12 ' HA ' ' A' ' 146' ' ' CYS . 5.2 m -125.98 78.22 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 10.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 13.8 m -41.63 137.81 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.113 . . . . 10.0 109.284 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.582 ' CD2' ' O ' ' A' ' 140' ' ' ALA . 6.6 m-70 -85.12 177.92 7.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 10.0 109.582 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -119.11 62.04 0.8 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.09 . . . . 10.0 110.307 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.425 ' CB ' ' HA ' ' A' ' 140' ' ' ALA . 0.9 OUTLIER 173.31 168.99 0.16 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.121 . . . . 10.0 109.316 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.715 ' O ' ' HB2' ' A' ' 140' ' ' ALA . . . -74.16 -141.71 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 10.0 109.299 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -158.83 91.21 1.04 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 10.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.3 -21.49 59.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 10.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 10.0 mt 57.8 18.0 4.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.115 . . . . 10.0 109.277 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -142.44 -129.66 2.4 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.452 1.095 . . . . 10.0 111.021 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.581 ' HB2' HG22 ' A' ' 135' ' ' THR . 1.4 tttt -131.68 89.76 2.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 0.775 . . . . 10.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -85.82 16.47 41.54 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.496 1.122 . . . . 10.0 110.963 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 175.2 -148.18 9.39 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 111.004 -0.838 . . . . 10.0 111.004 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 65.3 m-80 -144.7 140.22 28.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 0.778 . . . . 10.0 109.282 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 50.22 21.79 0.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 10.0 110.337 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -132.22 -72.26 0.53 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 10.0 110.271 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 138' ' ' GLY . 0.7 OUTLIER -85.03 -20.93 29.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 10.0 109.973 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . 0.581 HG22 ' HB2' ' A' ' 128' ' ' LYS . 28.1 p -72.72 -3.4 24.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.102 . . . . 10.0 110.39 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 3.1 pttt -114.87 -40.89 3.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 10.0 109.314 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . 0.446 ' CG2' ' N ' ' A' ' 138' ' ' GLY . 2.6 t -99.91 -48.37 4.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 10.0 110.386 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . 0.46 ' O ' ' CB ' ' A' ' 139' ' ' ASN . . . 118.83 16.46 5.4 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.486 1.117 . . . . 10.0 110.987 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . 0.597 ' O ' ' HB2' ' A' ' 140' ' ' ALA . 6.6 t-20 78.98 55.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 0.772 . . . . 10.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.715 ' HB2' ' O ' ' A' ' 123' ' ' ALA . . . 169.98 48.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 10.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -104.49 71.92 0.25 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.476 1.11 . . . . 10.0 111.025 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -142.0 81.8 1.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 0.751 . . . . 10.0 110.029 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . 0.43 ' NH1' ' HB2' ' A' ' 143' ' ' ARG . 3.5 mtp-105 -52.84 143.65 16.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 10.0 110.236 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 12.8 mt -130.04 -66.63 0.78 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 10.0 109.279 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . 0.921 ' HB2' HG11 ' A' ' 14' ' ' VAL . . . -87.52 173.76 8.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 10.0 109.332 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' CYS . . . . . 1.426 ' SG ' ' SG ' ' A' ' 57' ' ' CYS . 56.2 m -156.53 68.72 0.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.143 . . . . 10.0 108.301 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . 0.615 ' O ' ' HB1' ' A' ' 6' ' ' ALA . . . -108.02 80.23 0.27 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.419 1.075 . . . . 10.0 110.992 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.712 HG23 HG23 ' A' ' 116' ' ' THR . 2.8 t -70.11 159.76 5.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 0.766 . . . . 10.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' ILE . . . . . 0.726 HD13 ' HB2' ' A' ' 6' ' ' ALA . 26.3 mm -74.89 147.58 8.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 10.0 109.342 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 151' ' ' ILE . . . -157.03 100.85 0.2 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.481 1.113 . . . . 10.0 110.992 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . 0.973 HD12 HG22 ' A' ' 2' ' ' THR . 8.9 mm -37.62 143.1 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.435 0.726 . . . . 10.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . 0.465 ' HB2' HG23 ' A' ' 5' ' ' VAL . . . -135.9 173.48 11.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 10.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 10.0 110.266 179.998 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.894 ' HB3' ' HA ' ' A' ' 23' ' ' LYS . . . . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.341 -0.614 . . . . 10.0 109.341 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.9 m -126.44 81.22 1.99 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.094 . . . . 10.0 110.392 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.441 ' HA ' ' O ' ' A' ' 20' ' ' PHE . 6.7 ttmt -109.38 141.4 41.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 10.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.729 ' HB3' ' HB2' ' A' ' 20' ' ' PHE . . . -128.26 162.45 26.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 10.0 109.268 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.702 ' CG2' ' HB2' ' A' ' 152' ' ' ALA . 0.1 OUTLIER -147.13 149.73 15.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 10.0 109.28 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.759 ' HB3' HG23 ' A' ' 18' ' ' ILE . . . -143.59 101.35 3.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 10.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.689 ' O ' HG13 ' A' ' 7' ' ' VAL . 8.6 p -83.44 90.0 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 10.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.694 HD11 ' O ' ' A' ' 117' ' ' LEU . 4.4 mm? -39.8 140.19 0.55 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 10.0 109.265 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.421 ' H ' ' HB1' ' A' ' 145' ' ' ALA . 0.0 OUTLIER -176.93 121.74 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 10.0 109.305 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -171.08 -83.28 0.05 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.484 1.115 . . . . 10.0 111.039 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -50.97 -56.64 11.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 0.762 . . . . 10.0 109.257 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 149.81 -56.6 0.47 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.575 1.172 . . . . 10.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -25.07 12.22 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.45 1.763 . . . . 10.0 111.049 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.424 HG12 ' HB2' ' A' ' 145' ' ' ALA . 2.7 t -81.8 104.12 9.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 10.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.684 ' OE1' HG22 ' A' ' 7' ' ' VAL . 0.0 OUTLIER -129.41 39.28 3.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 10.0 110.302 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.505 ' N ' ' HB2' ' A' ' 8' ' ' LEU . . . -51.5 167.28 0.68 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.557 1.16 . . . . 10.0 111.053 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.414 HG13 ' C ' ' A' ' 16' ' ' GLY . 63.6 mt -142.72 106.69 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.506 0.768 . . . . 10.0 109.359 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.982 HD12 ' N ' ' A' ' 19' ' ' ASN . 0.1 OUTLIER -114.18 135.54 53.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 10.0 109.324 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.982 ' N ' HD12 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -129.82 144.82 51.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.118 . . . . 10.0 109.316 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.765 ' CE1' HG13 ' A' ' 31' ' ' VAL . 2.9 m-30 -112.51 130.7 55.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 10.0 111.023 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.421 ' O ' ' HA ' ' A' ' 29' ' ' VAL . 0.5 OUTLIER -113.12 127.35 56.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 10.0 110.315 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.876 ' CD ' HG22 ' A' ' 29' ' ' VAL . 6.4 tp60 -155.07 61.0 0.65 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 10.0 110.285 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.894 ' HA ' ' HB3' ' A' ' 1' ' ' ALA . 12.6 mtmt -78.89 60.86 2.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.431 1.082 . . . . 10.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.476 ' O ' ' CB ' ' A' ' 25' ' ' SER . 0.2 OUTLIER -155.56 -44.63 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 10.0 110.313 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.476 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 2.0 t 83.99 -1.89 1.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 10.0 109.988 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -163.98 29.74 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 10.0 109.27 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.427 ' O ' ' NE2' ' A' ' 22' ' ' GLN . . . -125.27 -163.06 11.52 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.478 1.111 . . . . 10.0 111.005 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.476 ' HA ' ' O ' ' A' ' 101' ' ' ASP . 18.2 Cg_endo -75.02 132.9 15.92 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.509 1.794 . . . . 10.0 111.017 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.876 HG22 ' CD ' ' A' ' 22' ' ' GLN . 28.8 t -91.87 87.5 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.425 1.078 . . . . 10.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.596 ' O ' ' CE3' ' A' ' 32' ' ' TRP . 48.2 mttt -60.72 87.63 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 10.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.765 HG13 ' CE1' ' A' ' 20' ' ' PHE . 66.9 t -89.76 138.48 19.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 10.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.596 ' CE3' ' O ' ' A' ' 30' ' ' LYS . 14.1 p90 -167.89 142.34 3.57 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.974 -1.121 . . . . 10.0 107.974 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.429 ' O ' ' HA ' ' A' ' 96' ' ' ASP . . . -151.78 -169.78 17.72 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.445 1.091 . . . . 10.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.4 m -157.51 122.13 4.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 0.761 . . . . 10.0 109.984 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.798 HG21 HD13 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -84.3 167.01 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 10.0 109.291 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.53 ' N ' HG23 ' A' ' 35' ' ' ILE . 22.8 mttt -156.21 114.64 3.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 10.0 109.263 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.452 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 129.03 -42.35 1.44 Allowed Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.488 1.118 . . . . 10.0 110.996 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 1.119 HD11 HG21 ' A' ' 119' ' ' VAL . 0.6 OUTLIER -53.33 -169.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 0.805 . . . . 10.0 109.293 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.5 p -141.71 147.6 37.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 10.0 110.429 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.636 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 1.4 tt0 -42.93 104.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 10.0 110.289 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.614 ' O ' ' CE1' ' A' ' 43' ' ' HIS . . . 165.21 -178.1 40.35 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.5 1.125 . . . . 10.0 111.002 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.581 HD12 ' N ' ' A' ' 42' ' ' LEU . 4.5 mp -89.01 131.63 35.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 0.77 . . . . 10.0 109.33 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.904 ' CD2' HD22 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -107.66 150.5 26.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 10.0 109.599 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.477 ' HA3' ' CG ' ' A' ' 120' ' ' HIS . . . -42.07 162.5 0.03 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.511 1.132 . . . . 10.0 110.988 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.614 ' O ' ' CD2' ' A' ' 48' ' ' HIS . 5.5 m-85 -78.14 128.28 33.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 0.759 . . . . 10.0 110.996 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.524 ' ND1' HD22 ' A' ' 117' ' ' LEU . 0.4 OUTLIER -64.5 175.33 1.41 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 10.0 109.583 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.482 HG23 ' CG ' ' A' ' 46' ' ' HIS . 24.6 t 69.53 59.44 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 10.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.614 ' CD2' ' O ' ' A' ' 45' ' ' PHE . 8.1 m-70 -142.25 160.27 40.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 10.0 109.564 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.416 ' HB3' ' HA ' ' A' ' 62' ' ' PRO . 0.1 OUTLIER -166.17 115.2 0.95 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 10.0 110.278 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.569 ' HB2' ' CE1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER 174.46 -179.43 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 10.0 110.32 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.419 ' CB ' ' O ' ' A' ' 50' ' ' GLU . 0.0 OUTLIER 80.12 -54.97 0.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 10.0 110.287 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.79 124.0 35.6 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 10.0 109.341 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -105.62 45.48 0.97 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 10.0 109.304 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.7 t -105.75 -33.02 8.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 10.0 110.397 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 64.46 114.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 10.0 109.306 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -177.46 44.77 0.1 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.54 1.15 . . . . 10.0 110.994 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.412 ' HB2' ' NH2' ' A' ' 143' ' ' ARG . 7.7 m -164.12 -49.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.327 -0.99 . . . . 10.0 108.327 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 59' ' ' SER . 15.3 t -109.03 -37.37 5.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.505 1.128 . . . . 10.0 110.369 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 58' ' ' THR . 79.8 p 38.97 72.73 0.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 10.0 109.976 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -166.45 -67.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 10.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -153.36 78.78 0.2 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.503 1.127 . . . . 10.0 111.012 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.416 ' HA ' ' HB3' ' A' ' 49' ' ' GLU . 18.3 Cg_endo -75.03 60.49 5.48 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.509 1.794 . . . . 10.0 110.958 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.523 ' O ' ' CG ' ' A' ' 63' ' ' HIS . 0.3 OUTLIER -151.4 58.46 0.89 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 10.0 109.605 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.569 ' CE1' ' HB2' ' A' ' 50' ' ' GLU . 6.2 m-85 44.82 -158.41 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.115 . . . . 10.0 110.988 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.438 ' N ' ' ND2' ' A' ' 65' ' ' ASN . 0.4 OUTLIER -148.17 159.54 39.43 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 10.0 109.305 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 67' ' ' LEU . 18.2 Cg_endo -75.04 -48.54 0.17 Allowed 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.5 1.789 . . . . 10.0 110.966 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.807 HD13 HG21 ' A' ' 81' ' ' VAL . 0.2 OUTLIER -38.89 -50.52 1.73 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 10.0 109.3 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.418 ' O ' ' N ' ' A' ' 70' ' ' LYS . 47.1 t -71.16 -43.19 68.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 10.0 109.988 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.43 ' CB ' ' HG2' ' A' ' 78' ' ' GLU . 0.3 OUTLIER 69.48 -57.59 0.53 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.128 . . . . 10.0 110.325 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.572 ' HE3' ' CE1' ' A' ' 48' ' ' HIS . 0.0 OUTLIER 74.8 170.93 0.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 10.0 109.275 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.512 ' O ' ' CD2' ' A' ' 71' ' ' HIS . 28.9 t60 65.96 73.53 0.38 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 10.0 109.608 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 170.99 -120.31 0.84 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.478 1.111 . . . . 10.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -109.05 138.56 14.83 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.986 -0.845 . . . . 10.0 110.986 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.469 ' O ' ' HB3' ' A' ' 75' ' ' LYS . 18.3 Cg_endo -75.03 91.54 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.453 1.765 . . . . 10.0 111.015 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.469 ' HB3' ' O ' ' A' ' 74' ' ' PRO . 0.3 OUTLIER 73.17 29.82 1.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 10.0 109.284 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -125.15 -75.47 0.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 10.0 109.291 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -100.08 9.49 42.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 10.0 110.364 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.43 ' HG2' ' CB ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -168.37 -157.36 0.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 10.0 110.272 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.453 ' O ' ' CB ' ' A' ' 80' ' ' HIS . 0.4 OUTLIER 67.31 151.14 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 10.0 110.282 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.453 ' CB ' ' O ' ' A' ' 79' ' ' ARG . 0.1 OUTLIER 166.27 -29.98 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 10.0 109.624 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.807 HG21 HD13 ' A' ' 67' ' ' LEU . 40.4 t -140.71 66.0 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 10.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 162.51 -94.19 0.12 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.467 1.104 . . . . 10.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.418 ' O ' ' NE ' ' A' ' 79' ' ' ARG . 2.1 m-20 -47.7 128.25 12.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 0.747 . . . . 10.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 9.2 tt -131.01 -51.55 1.04 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 10.0 109.3 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.543 ' HA2' ' CE2' ' A' ' 45' ' ' PHE . . . 170.92 160.91 20.61 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.495 1.122 . . . . 10.0 110.984 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.606 ' OD1' ' CD1' ' A' ' 45' ' ' PHE . 2.1 m-20 -86.09 150.53 24.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.53 0.782 . . . . 10.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.695 HG11 HD11 ' A' ' 117' ' ' LEU . 1.1 m -110.61 134.0 54.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 10.0 109.26 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.407 ' HA ' ' O ' ' A' ' 41' ' ' GLY . 90.2 m -107.5 147.58 30.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 10.0 110.379 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.636 ' HB3' ' HA ' ' A' ' 40' ' ' GLU . . . -86.56 175.63 8.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 10.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.441 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 11.6 t0 -83.69 -96.69 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 10.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.441 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 10.8 ptmt -135.33 8.53 3.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 10.0 109.263 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -157.5 25.43 0.29 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 10.0 109.308 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.611 ' CA ' ' HB1' ' A' ' 89' ' ' ALA . . . 97.05 -42.24 2.2 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.467 1.105 . . . . 10.0 110.958 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.432 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 21.6 t -39.27 98.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.471 0.748 . . . . 10.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.593 ' HB3' ' HB ' ' A' ' 35' ' ' ILE . . . -101.49 113.14 25.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 10.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.429 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 1.1 t70 -111.61 144.4 40.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 10.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.443 HG12 ' N ' ' A' ' 98' ' ' SER . 44.0 t -120.83 162.81 19.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.55 1.156 . . . . 10.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.443 ' N ' HG12 ' A' ' 97' ' ' VAL . 1.1 t -167.97 95.9 0.42 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 10.0 110.036 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 4.2 mt -125.86 143.26 39.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 10.0 109.322 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -125.4 86.63 2.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 10.0 110.275 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.476 ' O ' ' HA ' ' A' ' 28' ' ' PRO . 0.1 OUTLIER -106.9 137.69 44.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 10.0 109.288 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 77.0 p -116.77 31.92 6.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 10.0 110.044 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 98.2 t -106.09 -50.06 8.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 10.0 109.299 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.837 HG13 HG21 ' A' ' 112' ' ' ILE . 0.2 OUTLIER -68.89 -176.67 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 10.0 109.28 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.416 ' O ' ' N ' ' A' ' 111' ' ' SER . 0.9 OUTLIER -175.61 152.33 1.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 10.0 110.003 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.464 ' CD1' ' HG2' ' A' ' 22' ' ' GLN . 1.8 mp -89.99 7.23 38.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 10.0 109.342 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -93.76 -179.17 4.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 10.0 109.996 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -72.95 80.05 0.71 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.486 1.116 . . . . 10.0 110.982 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -167.9 -58.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 0.754 . . . . 10.0 109.325 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 48.2 m80 -112.57 -42.13 3.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 10.0 109.616 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.416 ' N ' ' O ' ' A' ' 105' ' ' SER . 37.2 t 45.89 93.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 10.0 109.992 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.837 HG21 HG13 ' A' ' 104' ' ' ILE . 30.6 pt -84.87 -19.8 8.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.426 1.079 . . . . 10.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.484 HD13 HG22 ' A' ' 149' ' ' ILE . 11.1 mm -54.81 129.7 16.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 10.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 121.03 2.04 11.25 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.508 1.13 . . . . 10.0 111.044 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.422 ' NH1' ' HA ' ' A' ' 112' ' ' ILE . 0.1 OUTLIER -93.32 136.04 33.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 0.751 . . . . 10.0 110.303 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.448 ' HB ' ' CG2' ' A' ' 148' ' ' VAL . 3.6 t -129.85 131.82 46.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 10.0 110.398 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.695 HD11 HG11 ' A' ' 87' ' ' VAL . 0.1 OUTLIER -83.72 77.98 9.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 10.0 109.327 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.603 HG21 ' HG2' ' A' ' 143' ' ' ARG . 2.9 p -99.77 126.08 53.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.12 . . . . 10.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 1.119 HG21 HD11 ' A' ' 38' ' ' LEU . 18.2 m -102.54 151.82 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 10.0 109.362 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.477 ' CG ' ' HA3' ' A' ' 44' ' ' GLY . 28.7 m170 -86.43 170.61 11.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 10.0 109.616 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.408 ' HB2' ' CB ' ' A' ' 142' ' ' SER . 0.0 OUTLIER -69.73 -15.92 63.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.576 1.172 . . . . 10.0 110.288 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.504 ' HB2' ' HB1' ' A' ' 140' ' ' ALA . 1.7 tttt -138.72 -157.77 0.8 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 10.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -85.32 -159.71 0.46 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 10.0 109.317 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.422 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 0.2 OUTLIER -162.37 97.59 1.0 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 10.0 109.302 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . 0.466 ' O ' ' N ' ' A' ' 127' ' ' GLY . 0.7 OUTLIER -130.61 101.16 5.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.132 . . . . 10.0 109.295 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.5 mp -68.94 54.1 0.09 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.453 1.096 . . . . 10.0 109.308 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 125' ' ' ASP . . . 171.95 71.06 0.04 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.535 1.147 . . . . 10.0 110.977 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -111.74 -30.42 7.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 0.756 . . . . 10.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 156.79 -41.2 0.55 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.535 1.147 . . . . 10.0 110.981 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -104.41 119.72 6.37 Favored Glycine 0 CA--C 1.529 0.967 0 N-CA-C 111.004 -0.838 . . . . 10.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . 0.495 ' O ' ' CB ' ' A' ' 132' ' ' GLU . 1.2 p30 -100.82 107.5 19.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 0.754 . . . . 10.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.495 ' CB ' ' O ' ' A' ' 131' ' ' ASN . 10.8 tt0 161.05 -27.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 10.0 110.296 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -116.03 -34.45 4.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 10.0 110.32 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 9.4 p -96.45 -3.78 42.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 10.0 110.017 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -88.12 -25.17 23.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 10.0 110.42 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 9.5 pttt -103.12 -33.68 9.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 10.0 109.348 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 70.2 p -129.48 -91.78 0.46 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 10.0 110.409 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 171.97 40.71 0.04 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.525 1.141 . . . . 10.0 110.993 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 49.7 t30 52.6 22.46 2.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 0.758 . . . . 10.0 109.336 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.504 ' HB1' ' HB2' ' A' ' 122' ' ' LYS . . . -169.87 68.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 10.0 109.295 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -95.52 88.71 1.1 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.549 1.156 . . . . 10.0 110.971 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . 0.408 ' CB ' ' HB2' ' A' ' 121' ' ' GLU . 0.3 OUTLIER -134.95 84.94 2.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 0.742 . . . . 10.0 110.025 179.943 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . 0.603 ' HG2' HG21 ' A' ' 118' ' ' VAL . 1.1 tmm_? -38.11 154.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 10.0 110.255 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.823 HD12 HG23 ' A' ' 119' ' ' VAL . 63.7 mt -130.4 -105.3 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 10.0 109.33 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . 0.617 ' HB3' HD12 ' A' ' 8' ' ' LEU . . . -87.49 175.21 8.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 10.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 7.6 p -148.35 70.27 1.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 10.0 108.329 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . 0.688 ' C ' ' HB1' ' A' ' 6' ' ' ALA . . . -70.61 63.86 0.85 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.497 1.123 . . . . 10.0 110.968 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.448 ' CG2' ' HB ' ' A' ' 116' ' ' THR . 2.3 t -58.97 115.45 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 0.769 . . . . 10.0 109.288 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' ILE . . . . . 0.564 HG12 ' CE1' ' A' ' 20' ' ' PHE . 1.7 mp -60.97 115.38 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 10.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -127.56 131.7 7.22 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.53 1.144 . . . . 10.0 111.029 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 17.9 mm -40.7 148.2 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 0.753 . . . . 10.0 109.257 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . 0.702 ' HB2' ' CG2' ' A' ' 5' ' ' VAL . . . -104.12 174.84 5.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 10.0 109.254 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 10.0 110.262 -179.953 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.523 ' CB ' ' HA ' ' A' ' 23' ' ' LYS . . . . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.301 -0.629 . . . . 10.0 109.301 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 1.05 HG21 HD12 ' A' ' 151' ' ' ILE . 2.0 m -132.7 157.54 44.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 10.0 110.382 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.458 ' CG ' ' O ' ' A' ' 20' ' ' PHE . 20.1 ttpt -140.08 110.67 6.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 10.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.914 ' HB3' ' HB2' ' A' ' 20' ' ' PHE . . . -84.22 168.44 15.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 10.0 109.32 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.491 HG23 ' CB ' ' A' ' 152' ' ' ALA . 2.3 t -143.22 159.48 17.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 10.0 109.272 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.703 ' HB3' HG23 ' A' ' 18' ' ' ILE . . . -152.68 92.29 1.65 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 10.0 109.336 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.2 m -84.21 95.91 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 10.0 109.31 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.798 HD13 ' H ' ' A' ' 147' ' ' GLY . 4.6 mm? -41.62 140.25 0.99 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 10.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.63 -67.1 0.76 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.164 . . . . 10.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 64.76 115.52 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.511 1.132 . . . . 10.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.2 -19.81 3.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 0.781 . . . . 10.0 109.261 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.517 ' N ' ' CD ' ' A' ' 13' ' ' PRO . . . 161.9 -49.53 0.34 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.483 1.115 . . . . 10.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.517 ' CD ' ' N ' ' A' ' 12' ' ' GLY . 18.2 Cg_endo -75.04 7.49 2.86 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.497 1.788 . . . . 10.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.472 HG11 ' HB2' ' A' ' 145' ' ' ALA . 2.7 t -140.12 152.92 22.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 10.0 109.299 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 176.84 54.72 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.105 . . . . 10.0 110.334 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.488 ' CA ' ' HA ' ' A' ' 35' ' ' ILE . . . -74.43 171.97 52.62 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.54 1.15 . . . . 10.0 111.002 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.434 HG13 ' C ' ' A' ' 16' ' ' GLY . 63.6 mt -142.84 105.1 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.456 0.739 . . . . 10.0 109.271 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 1.029 HD12 ' N ' ' A' ' 19' ' ' ASN . 0.1 OUTLIER -109.29 134.29 51.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 10.0 109.282 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 1.029 ' N ' HD12 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -122.22 143.6 49.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 10.0 109.283 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.914 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 2.2 m-85 -108.77 134.86 50.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 10.0 111.022 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.511 ' HB2' ' CH2' ' A' ' 32' ' ' TRP . 0.0 OUTLIER -128.55 125.62 38.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 10.0 110.319 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.643 ' HB2' HG22 ' A' ' 29' ' ' VAL . 1.6 tt0 -141.0 86.18 2.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 10.0 110.325 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.523 ' HA ' ' CB ' ' A' ' 1' ' ' ALA . 8.2 mtpt -86.73 45.5 1.26 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 10.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.42 ' HB3' ' N ' ' A' ' 27' ' ' GLY . 0.8 OUTLIER -155.7 137.44 14.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 10.0 110.3 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -78.78 -11.59 59.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 10.0 109.962 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -155.56 32.63 0.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 10.0 109.327 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.42 ' N ' ' HB3' ' A' ' 24' ' ' GLU . . . -111.23 -167.94 18.75 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.5 1.125 . . . . 10.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.46 ' HA ' ' O ' ' A' ' 101' ' ' ASP . 18.4 Cg_endo -75.06 -174.75 2.06 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.444 1.76 . . . . 10.0 110.975 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.827 ' O ' HG23 ' A' ' 31' ' ' VAL . 85.3 t -134.97 92.2 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 10.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.506 ' O ' ' CZ3' ' A' ' 32' ' ' TRP . 16.4 mtpt -53.89 94.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 10.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.827 HG23 ' O ' ' A' ' 29' ' ' VAL . 90.4 t -96.07 129.12 46.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 10.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.511 ' CH2' ' HB2' ' A' ' 21' ' ' GLU . 17.3 p90 -161.36 141.36 10.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 10.0 108.021 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -152.32 -167.76 15.68 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.513 1.133 . . . . 10.0 110.979 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 60.3 p -156.56 121.13 4.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 0.792 . . . . 10.0 110.02 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.957 HG21 HD12 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -84.51 165.12 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 10.0 109.318 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.476 ' N ' ' CG2' ' A' ' 35' ' ' ILE . 66.3 mttt -154.46 118.78 4.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 10.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 122.7 -30.77 5.01 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.498 1.124 . . . . 10.0 110.982 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.957 HD12 HG21 ' A' ' 35' ' ' ILE . 3.0 mt -55.36 -166.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 0.731 . . . . 10.0 109.268 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.7 p -137.1 145.34 43.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.456 1.098 . . . . 10.0 110.423 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.703 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 5.1 tm-20 -53.68 96.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 10.0 110.294 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.453 ' O ' ' NE2' ' A' ' 43' ' ' HIS . . . -175.27 176.97 47.33 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.527 1.142 . . . . 10.0 110.965 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.8 HD23 ' OG1' ' A' ' 88' ' ' THR . 1.8 mt -92.62 128.4 38.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 0.781 . . . . 10.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.522 ' C ' ' HB2' ' A' ' 123' ' ' ALA . 0.0 OUTLIER -125.61 150.86 47.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 10.0 109.57 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.78 -163.67 0.04 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.476 1.11 . . . . 10.0 110.979 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.596 ' CD2' ' HA ' ' A' ' 83' ' ' ASP . 1.2 t80 -94.55 175.0 6.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 0.775 . . . . 10.0 111.016 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.481 ' CD2' ' H ' ' A' ' 46' ' ' HIS . 0.0 OUTLIER -120.91 73.55 1.03 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 10.0 109.588 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.465 HG23 ' CD2' ' A' ' 45' ' ' PHE . 21.7 t -152.44 88.05 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 10.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.611 ' CE1' ' NE2' ' A' ' 120' ' ' HIS . 3.0 m-70 -132.12 76.35 1.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 10.0 109.588 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.8 pm0 -177.46 -179.81 0.87 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 10.0 110.322 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.47 ' O ' ' CB ' ' A' ' 51' ' ' GLU . 1.7 tp10 -179.01 156.24 0.79 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 10.0 110.323 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.47 ' CB ' ' O ' ' A' ' 50' ' ' GLU . 2.5 tt0 83.73 -51.36 0.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 10.0 110.313 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 60.01 153.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 10.0 109.27 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 175.79 -36.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 10.0 109.304 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.651 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 1.0 OUTLIER -134.31 -44.56 0.77 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 10.0 110.396 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.651 ' HB2' ' O ' ' A' ' 54' ' ' THR . . . 165.95 -82.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 10.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 143.94 -102.55 0.28 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.446 1.091 . . . . 10.0 111.016 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 7.2 t 41.93 42.44 2.27 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.289 -1.004 . . . . 10.0 108.289 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.413 HG22 ' N ' ' A' ' 59' ' ' SER . 0.8 OUTLIER -93.52 -58.91 2.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 10.0 110.387 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.413 ' N ' HG22 ' A' ' 58' ' ' THR . 13.7 m 65.61 91.57 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 10.0 109.945 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -158.75 -50.17 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 10.0 109.313 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -168.37 119.74 0.85 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.439 1.087 . . . . 10.0 110.992 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 179.77 5.76 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.454 1.765 . . . . 10.0 111.028 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 8.9 p-80 -154.03 -45.37 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 10.0 109.612 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.523 ' CD2' ' HD2' ' A' ' 136' ' ' LYS . 25.8 m-85 56.51 -176.96 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 10.0 110.985 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.63 ' CB ' HG11 ' A' ' 81' ' ' VAL . 22.3 t30 -117.16 142.68 30.43 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 10.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 71.61 4.94 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.501 1.79 . . . . 10.0 111.008 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -151.98 -46.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 10.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.416 ' O ' ' OD2' ' A' ' 76' ' ' ASP . 0.2 OUTLIER -58.6 -34.3 70.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 10.0 110.009 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 75.39 -8.86 1.5 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 10.0 110.281 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.415 ' H ' ' C ' ' A' ' 68' ' ' SER . 0.0 OUTLIER 69.98 170.22 0.31 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 10.0 109.277 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.556 ' CD2' ' CB ' ' A' ' 75' ' ' LYS . 1.0 OUTLIER 50.64 50.28 19.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 10.0 109.633 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -61.46 133.46 47.88 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.532 1.145 . . . . 10.0 110.967 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 133.84 -126.09 4.14 Favored Glycine 0 CA--C 1.531 1.057 0 N-CA-C 110.973 -0.851 . . . . 10.0 110.973 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 0.21 9.15 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.51 1.795 . . . . 10.0 111.004 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.556 ' CB ' ' CD2' ' A' ' 71' ' ' HIS . 0.1 OUTLIER -130.57 35.89 3.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 10.0 109.273 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.449 ' CB ' ' O ' ' A' ' 75' ' ' LYS . 2.8 t0 160.12 127.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 10.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.407 ' O ' ' OE2' ' A' ' 77' ' ' GLU . 12.1 tp10 -102.46 -0.89 31.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 10.0 110.271 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.471 ' O ' ' C ' ' A' ' 79' ' ' ARG . 6.1 mm-40 -86.42 -74.77 0.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 10.0 110.316 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.471 ' C ' ' O ' ' A' ' 78' ' ' GLU . 0.0 OUTLIER 32.3 39.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.453 1.095 . . . . 10.0 110.293 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.455 ' N ' ' O ' ' A' ' 78' ' ' GLU . 53.7 t60 -98.85 -1.13 40.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 10.0 109.616 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.63 HG11 ' CB ' ' A' ' 65' ' ' ASN . 2.3 t -151.08 43.32 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 10.0 109.336 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -159.8 -122.61 0.66 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.513 1.133 . . . . 10.0 110.993 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.596 ' HA ' ' CD2' ' A' ' 45' ' ' PHE . 3.8 m-20 -116.29 146.34 42.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 0.752 . . . . 10.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.2 tp -82.24 -53.62 5.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 10.0 109.25 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -169.9 -133.16 1.55 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.499 1.124 . . . . 10.0 110.972 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 -126.6 143.35 51.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.435 0.727 . . . . 10.0 109.341 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -99.18 178.89 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 10.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.8 ' OG1' HD23 ' A' ' 42' ' ' LEU . 87.4 m -154.81 147.88 24.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 10.0 110.45 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.703 ' HB3' ' HA ' ' A' ' 40' ' ' GLU . . . -86.68 174.7 8.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 10.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.445 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 12.4 t0 -87.36 -97.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 10.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.445 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 39.9 pttt -137.31 10.09 2.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.086 . . . . 10.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -148.34 19.26 1.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 10.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.493 ' CA ' ' HB1' ' A' ' 89' ' ' ALA . . . 89.84 -27.73 7.83 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.483 1.114 . . . . 10.0 110.989 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.477 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 40.0 t -47.1 107.13 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.489 0.758 . . . . 10.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -113.05 117.3 31.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 10.0 109.289 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -111.89 147.27 36.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 10.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.466 HG12 ' N ' ' A' ' 98' ' ' SER . 93.3 t -121.94 163.36 20.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 10.0 109.317 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.466 ' N ' HG12 ' A' ' 97' ' ' VAL . 22.7 t -169.0 97.32 0.36 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 10.0 109.984 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.408 HG22 ' N ' ' A' ' 100' ' ' GLU . 3.4 mt -130.65 160.54 41.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 10.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.408 ' N ' HG22 ' A' ' 99' ' ' ILE . 3.9 mt-10 -127.29 88.05 2.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 10.0 110.28 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.46 ' O ' ' HA ' ' A' ' 28' ' ' PRO . 8.8 m-20 -87.89 117.86 27.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 10.0 109.266 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.434 ' CA ' ' HB3' ' A' ' 28' ' ' PRO . 1.1 p -111.18 21.33 16.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 10.0 110.018 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -110.79 -23.21 4.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 10.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.939 HD13 HD13 ' A' ' 112' ' ' ILE . 1.6 pp -107.48 179.5 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 10.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.496 ' N ' HD12 ' A' ' 104' ' ' ILE . 3.1 m -177.37 179.5 0.95 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 10.0 109.982 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.6 HD22 HD11 ' A' ' 113' ' ' ILE . 0.4 OUTLIER -93.89 38.03 1.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 10.0 109.258 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 111' ' ' SER . 0.4 OUTLIER -122.43 148.74 44.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 10.0 109.999 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.596 ' O ' ' CB ' ' A' ' 109' ' ' ASP . . . -46.29 147.62 2.62 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.531 1.144 . . . . 10.0 111.021 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.596 ' CB ' ' O ' ' A' ' 108' ' ' GLY . 18.6 t0 89.98 -37.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 0.768 . . . . 10.0 109.329 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.407 ' O ' HG23 ' A' ' 112' ' ' ILE . 57.3 m80 -124.51 3.09 8.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 10.0 109.617 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 107' ' ' SER . 79.2 p -38.13 114.16 0.34 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 10.0 109.984 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.939 HD13 HD13 ' A' ' 104' ' ' ILE . 34.9 pt -95.22 -32.03 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 10.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.6 HD11 HD22 ' A' ' 106' ' ' LEU . 31.0 mm -41.82 117.21 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.1 . . . . 10.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 116.6 27.82 2.7 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.451 1.095 . . . . 10.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.693 ' HB2' HD13 ' A' ' 149' ' ' ILE . 5.5 mmt180 -86.8 66.77 9.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 0.737 . . . . 10.0 110.302 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.579 ' OG1' HG22 ' A' ' 148' ' ' VAL . 55.3 m -41.94 94.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.441 1.088 . . . . 10.0 110.351 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.468 ' N ' ' O ' ' A' ' 115' ' ' ARG . 0.2 OUTLIER -70.4 111.54 6.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 10.0 109.293 179.952 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 145' ' ' ALA . 7.6 p -138.15 117.28 14.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 10.0 109.28 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 5.4 m -67.82 145.4 13.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 10.0 109.323 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.611 ' NE2' ' CE1' ' A' ' 48' ' ' HIS . 0.4 OUTLIER -84.48 137.54 33.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 10.0 109.549 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -43.95 -35.88 2.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 10.0 110.255 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 7.9 tttt -164.42 145.19 8.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 10.0 109.284 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.522 ' HB2' ' C ' ' A' ' 43' ' ' HIS . . . -73.56 -175.89 2.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 10.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.402 ' CG ' ' O ' ' A' ' 124' ' ' ASP . 34.8 t0 -93.09 24.98 3.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 10.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 50.68 34.22 9.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 10.0 109.28 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 17.9 mt 57.12 19.8 5.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 10.0 109.333 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 121.73 115.49 2.35 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.519 1.137 . . . . 10.0 111.01 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 2.4 pttp -110.49 -29.73 7.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 0.768 . . . . 10.0 109.33 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 130.4 -52.3 0.83 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.508 1.13 . . . . 10.0 110.973 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -38.27 152.36 0.03 OUTLIER Glycine 0 CA--C 1.529 0.964 0 N-CA-C 111.003 -0.839 . . . . 10.0 111.003 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . 0.498 ' O ' ' CB ' ' A' ' 132' ' ' GLU . 84.8 m-20 -133.02 130.85 39.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 0.768 . . . . 10.0 109.29 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.498 ' CB ' ' O ' ' A' ' 131' ' ' ASN . 0.0 OUTLIER 86.35 18.78 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 10.0 110.294 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -139.97 -72.56 0.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 10.0 110.3 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 83.9 p -82.52 -15.87 50.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 10.0 110.01 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . 0.501 ' O ' ' CA ' ' A' ' 71' ' ' HIS . 17.3 p -68.71 -21.0 64.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 10.0 110.381 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.523 ' HD2' ' CD2' ' A' ' 64' ' ' PHE . 0.5 OUTLIER -109.07 -32.9 7.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 10.0 109.259 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . 0.401 ' OG1' ' N ' ' A' ' 138' ' ' GLY . 81.6 p -121.94 -99.75 0.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 10.0 110.383 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . 0.401 ' N ' ' OG1' ' A' ' 137' ' ' THR . . . 174.58 38.98 0.04 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.52 1.138 . . . . 10.0 110.98 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 50.21 25.43 1.79 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 0.76 . . . . 10.0 109.356 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 141' ' ' GLY . . . -120.77 -57.98 1.85 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.486 1.116 . . . . 10.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 140' ' ' ALA . . . 36.79 91.97 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.477 1.111 . . . . 10.0 110.971 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -167.81 114.91 0.73 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 0.773 . . . . 10.0 109.976 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.4 mpt_? -84.19 141.36 31.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.097 . . . . 10.0 110.287 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.4 mp -125.64 -59.24 1.37 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 10.0 109.266 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . 0.472 ' HB2' HG11 ' A' ' 14' ' ' VAL . . . -110.74 170.51 8.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 10.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -155.87 69.95 0.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.578 1.174 . . . . 10.0 108.281 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . 0.798 ' H ' HD13 ' A' ' 8' ' ' LEU . . . -49.55 -48.91 34.4 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.51 1.131 . . . . 10.0 110.968 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.579 HG22 ' OG1' ' A' ' 116' ' ' THR . 3.6 t 65.12 126.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.476 0.75 . . . . 10.0 109.312 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' ILE . . . . . 0.767 ' N ' HD12 ' A' ' 149' ' ' ILE . 2.1 mp -89.22 118.7 35.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 10.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -132.45 127.53 4.89 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.558 1.161 . . . . 10.0 111.005 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . 1.05 HD12 HG21 ' A' ' 2' ' ' THR . 20.2 mm -42.33 143.34 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.522 0.777 . . . . 10.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . 0.491 ' CB ' HG23 ' A' ' 5' ' ' VAL . . . -142.56 164.58 29.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 10.0 109.301 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 10.0 110.298 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.525 ' H1 ' ' HA ' ' A' ' 23' ' ' LYS . . . . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.247 -0.649 . . . . 10.0 109.247 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.576 HG23 ' CD1' ' A' ' 151' ' ' ILE . 0.7 OUTLIER -85.58 120.08 26.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 10.0 110.394 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -108.98 106.72 16.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.113 . . . . 10.0 109.247 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 1.124 ' HB1' HG23 ' A' ' 149' ' ' ILE . . . -87.32 150.73 23.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 10.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.0 t -129.18 150.49 34.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 10.0 109.287 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.619 ' HB3' HG23 ' A' ' 18' ' ' ILE . . . -153.37 88.89 1.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 10.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.439 ' O ' HG13 ' A' ' 7' ' ' VAL . 6.2 p -84.12 101.8 9.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 10.0 109.271 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.673 HD11 ' HB3' ' A' ' 117' ' ' LEU . 0.8 OUTLIER -51.05 133.54 27.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 10.0 109.332 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.469 ' N ' ' HB1' ' A' ' 145' ' ' ALA . 0.2 OUTLIER -159.04 130.58 6.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 10.0 109.309 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 11' ' ' ASP . . . 177.88 -101.03 0.15 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.546 1.154 . . . . 10.0 110.951 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 10' ' ' GLY . 26.9 t0 -38.16 -51.82 1.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 0.758 . . . . 10.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.468 ' N ' ' CD ' ' A' ' 13' ' ' PRO . . . 146.23 -53.02 0.56 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.467 1.104 . . . . 10.0 111.018 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.481 ' O ' ' N ' ' A' ' 15' ' ' GLN . 18.3 Cg_endo -75.01 -41.34 0.67 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.532 1.806 . . . . 10.0 111.02 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.461 ' O ' HG12 ' A' ' 14' ' ' VAL . 55.6 t -62.3 79.15 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 10.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.481 ' N ' ' O ' ' A' ' 13' ' ' PRO . 0.0 OUTLIER -108.73 37.72 2.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 10.0 110.275 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.478 ' N ' ' HB2' ' A' ' 8' ' ' LEU . . . -56.37 164.65 5.15 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.556 1.16 . . . . 10.0 111.012 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.412 HG13 ' O ' ' A' ' 16' ' ' GLY . 39.4 mt -141.67 102.98 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.433 0.725 . . . . 10.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.796 HD12 ' N ' ' A' ' 19' ' ' ASN . 0.1 OUTLIER -109.13 129.61 63.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.12 . . . . 10.0 109.27 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.796 ' N ' HD12 ' A' ' 18' ' ' ILE . 0.1 OUTLIER -125.26 141.53 52.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.145 . . . . 10.0 109.29 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.959 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 12.0 m-85 -113.22 111.88 22.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 10.0 110.968 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 30' ' ' LYS . 22.5 tt0 -110.71 139.77 45.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 10.0 110.305 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 37.6 tt0 -139.98 80.09 1.75 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 10.0 110.324 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.525 ' HA ' ' H1 ' ' A' ' 1' ' ' ALA . 1.1 tttt -73.62 58.36 0.6 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 10.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.481 ' O ' ' CB ' ' A' ' 25' ' ' SER . 0.2 OUTLIER -155.88 -48.0 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 10.0 110.302 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.481 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 1.1 t 83.39 -8.56 1.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 10.0 109.997 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -159.83 27.32 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 10.0 109.307 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -129.93 -154.96 8.24 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.486 1.117 . . . . 10.0 110.972 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.462 ' HA ' ' O ' ' A' ' 101' ' ' ASP . 18.3 Cg_endo -74.99 136.68 20.74 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.482 1.78 . . . . 10.0 111.018 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.429 ' O ' HG23 ' A' ' 31' ' ' VAL . 97.4 t -91.61 114.36 28.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 10.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 21' ' ' GLU . 4.8 mttm -72.0 93.82 1.42 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 10.0 109.278 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.581 HG22 ' CD2' ' A' ' 20' ' ' PHE . 25.0 t -88.85 130.1 38.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 10.0 109.305 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -159.51 148.65 18.11 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.012 -1.107 . . . . 10.0 108.012 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.448 ' O ' ' HA ' ' A' ' 96' ' ' ASP . . . -164.69 -172.44 32.16 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.493 1.121 . . . . 10.0 110.967 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.7 p -156.9 121.45 4.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 0.755 . . . . 10.0 110.057 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.927 ' O ' HG13 ' A' ' 94' ' ' VAL . 0.6 OUTLIER -90.71 165.82 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 10.0 109.342 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.606 ' HG2' HG22 ' A' ' 94' ' ' VAL . 53.2 mttt -149.38 115.36 5.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 10.0 109.258 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.523 ' O ' ' N ' ' A' ' 39' ' ' THR . . . 127.0 -48.22 0.98 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.522 1.139 . . . . 10.0 110.974 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.988 HD11 HG21 ' A' ' 119' ' ' VAL . 1.1 mp -58.09 81.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 0.774 . . . . 10.0 109.361 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.523 ' N ' ' O ' ' A' ' 37' ' ' GLY . 71.9 p -37.67 153.96 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 10.0 110.429 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.928 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 6.6 pt-20 -44.02 125.45 4.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 10.0 110.317 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.447 ' O ' ' CD2' ' A' ' 43' ' ' HIS . . . 141.25 170.97 12.45 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.451 1.094 . . . . 10.0 111.006 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.509 HD23 HD22 ' A' ' 86' ' ' ASN . 8.0 mp -72.1 155.66 40.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 0.753 . . . . 10.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.912 ' CG ' HD23 ' A' ' 38' ' ' LEU . 81.5 m-70 -154.47 75.05 0.98 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 10.0 109.631 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 43' ' ' HIS . . . 32.96 -138.3 0.11 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.467 1.104 . . . . 10.0 110.983 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.648 ' CE1' ' NE2' ' A' ' 46' ' ' HIS . 33.0 t80 -150.42 174.02 13.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 0.749 . . . . 10.0 110.973 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.648 ' NE2' ' CE1' ' A' ' 45' ' ' PHE . 0.1 OUTLIER -94.94 174.46 7.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 10.0 109.586 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.456 HG23 ' C ' ' A' ' 46' ' ' HIS . 4.2 t 74.81 60.37 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 10.0 109.265 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.482 ' O ' ' CD2' ' A' ' 48' ' ' HIS . 19.0 p-80 -150.1 108.51 3.79 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.536 1.148 . . . . 10.0 109.559 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.435 ' CB ' ' HB3' ' A' ' 62' ' ' PRO . 0.5 OUTLIER -97.66 91.19 5.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 10.0 110.308 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -120.37 72.85 0.96 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 10.0 110.251 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -178.1 -174.02 0.4 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 10.0 110.279 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.472 ' O ' ' CB ' ' A' ' 53' ' ' ASN . 16.3 t70 178.24 132.49 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 10.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.472 ' CB ' ' O ' ' A' ' 52' ' ' ASP . 8.2 t30 79.66 50.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 10.0 109.268 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.547 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 8.1 t -98.09 -45.59 6.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 10.0 110.38 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.547 ' HB3' ' O ' ' A' ' 54' ' ' THR . . . 73.85 118.47 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 10.0 109.231 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 110.89 -42.27 2.01 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.474 1.108 . . . . 10.0 111.03 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.7 t -95.34 -147.71 0.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.284 -1.006 . . . . 10.0 108.284 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 72.0 p -141.27 117.57 10.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 10.0 110.427 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -163.37 83.57 0.48 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 10.0 109.983 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -119.8 -40.19 2.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 10.0 109.278 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -145.77 99.69 0.21 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.515 1.134 . . . . 10.0 111.019 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.435 ' HB3' ' CB ' ' A' ' 49' ' ' GLU . 18.2 Cg_endo -75.04 132.45 15.38 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.504 1.791 . . . . 10.0 110.976 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -148.29 76.52 1.37 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 10.0 109.598 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -59.78 -156.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 10.0 110.986 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -94.1 119.35 66.81 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 10.0 109.292 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 78.79 2.82 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.508 1.794 . . . . 10.0 111.012 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.501 ' O ' ' C ' ' A' ' 68' ' ' SER . 0.4 OUTLIER -174.82 -42.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 10.0 109.281 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.501 ' C ' ' O ' ' A' ' 67' ' ' LEU . 5.1 t -29.94 -77.28 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.536 1.148 . . . . 10.0 109.981 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 71.66 -59.22 0.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 10.0 110.264 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.408 ' O ' ' O ' ' A' ' 71' ' ' HIS . 3.4 mttm -118.06 -175.39 2.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 10.0 109.341 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.446 ' N ' ' O ' ' A' ' 135' ' ' THR . 0.1 OUTLIER -48.24 -97.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 10.0 109.604 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.432 ' HA2' ' OD1' ' A' ' 76' ' ' ASP . . . 121.71 144.77 6.95 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.485 1.116 . . . . 10.0 111.024 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 138.9 -134.29 6.69 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 111.02 -0.832 . . . . 10.0 111.02 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 1.87 7.22 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.533 1.807 . . . . 10.0 111.043 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.727 ' HE3' HD13 ' A' ' 126' ' ' LEU . 0.2 OUTLIER -140.6 55.13 1.59 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 10.0 109.288 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.538 ' CB ' ' O ' ' A' ' 75' ' ' LYS . 0.2 OUTLIER 152.86 122.24 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 10.0 109.284 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.429 ' OE1' ' C ' ' A' ' 77' ' ' GLU . 0.3 OUTLIER -85.28 -9.88 57.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 10.0 110.342 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.505 ' N ' ' OD1' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -57.89 -156.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 10.0 110.298 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.5 ' CB ' ' HA ' ' A' ' 68' ' ' SER . 0.0 OUTLIER -104.46 157.12 17.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 10.0 110.272 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.46 ' C ' HG12 ' A' ' 81' ' ' VAL . 2.6 t-160 -112.61 49.88 0.9 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 10.0 109.57 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.622 HG22 ' O ' ' A' ' 81' ' ' VAL . 4.8 p 43.55 45.9 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.102 . . . . 10.0 109.348 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.408 ' O ' ' CB ' ' A' ' 83' ' ' ASP . . . 169.63 -28.33 0.13 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.443 1.089 . . . . 10.0 111.037 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.463 ' O ' ' CD2' ' A' ' 84' ' ' LEU . 12.1 t0 75.45 83.91 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 0.755 . . . . 10.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.576 ' HB2' ' CZ ' ' A' ' 45' ' ' PHE . 0.1 OUTLIER 175.28 -80.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 10.0 109.308 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 156.0 -119.98 0.96 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.458 1.099 . . . . 10.0 111.02 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.509 HD22 HD23 ' A' ' 42' ' ' LEU . 66.3 m-20 -135.88 134.63 38.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.764 . . . . 10.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.407 ' O ' ' HA ' ' A' ' 42' ' ' LEU . 34.8 m -86.33 151.53 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 10.0 109.282 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -134.8 148.29 50.16 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 10.0 110.368 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.928 ' HB3' ' HA ' ' A' ' 40' ' ' GLU . . . -85.15 173.56 10.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 10.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.424 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 8.5 t0 -88.39 -98.08 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 10.0 109.279 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.424 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 29.0 pttt -137.61 11.69 2.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 10.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -137.72 13.56 2.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 10.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.475 ' HA2' ' O ' ' A' ' 38' ' ' LEU . . . 84.64 -6.58 77.09 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.485 1.116 . . . . 10.0 111.009 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.927 HG13 ' O ' ' A' ' 35' ' ' ILE . 96.7 t -79.1 136.19 24.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.503 0.766 . . . . 10.0 109.352 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -124.94 117.58 24.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 10.0 109.317 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.448 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 1.5 p-10 -102.04 152.22 21.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 10.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 46.5 t -127.32 159.43 37.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 10.0 109.344 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 51.0 p -169.31 92.68 0.26 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 10.0 109.994 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 32.2 mt -136.57 158.88 37.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 10.0 109.281 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.415 ' CG ' ' O ' ' A' ' 100' ' ' GLU . 1.5 pt-20 -126.56 96.03 4.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 10.0 110.321 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.462 ' O ' ' HA ' ' A' ' 28' ' ' PRO . 1.2 m-20 -92.82 131.95 37.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 10.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 15.2 p -113.03 -47.06 3.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 10.0 109.981 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 85.6 t -44.92 -52.73 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 10.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.778 HD12 ' C ' ' A' ' 104' ' ' ILE . 1.7 pp -68.94 177.11 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 10.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.05 158.08 41.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 10.0 110.002 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -76.93 -28.44 55.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 10.0 109.258 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.68 158.8 40.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 10.0 110.018 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 124.98 -82.87 0.35 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.476 1.11 . . . . 10.0 110.985 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -135.85 -49.96 0.7 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 0.744 . . . . 10.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 32.4 m80 -92.62 36.59 1.01 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.1 . . . . 10.0 109.585 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 46.3 t -48.97 117.3 2.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 10.0 109.995 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.472 HD12 ' CE2' ' A' ' 20' ' ' PHE . 13.3 pt -85.24 -24.44 6.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 10.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 8.1 mt -49.33 132.88 7.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 10.0 109.275 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 102.22 22.91 9.43 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.502 1.126 . . . . 10.0 110.977 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 117' ' ' LEU . 22.6 mtt180 -84.02 79.69 9.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 0.747 . . . . 10.0 110.312 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.91 HG23 HG23 ' A' ' 148' ' ' VAL . 15.1 m -54.15 89.12 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 10.0 110.432 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.673 ' HB3' HD11 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -61.35 112.94 2.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 10.0 109.318 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 145' ' ' ALA . 8.0 p -144.22 107.75 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 10.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.988 HG21 HD11 ' A' ' 38' ' ' LEU . 29.5 m -70.99 178.6 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 10.0 109.332 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.472 ' CD2' ' CE1' ' A' ' 48' ' ' HIS . 10.4 m170 -98.98 161.25 13.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 10.0 109.629 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.4 ' CB ' ' HB2' ' A' ' 142' ' ' SER . 3.8 tt0 -94.83 26.76 3.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 10.0 110.293 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 179.79 157.79 0.67 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 10.0 109.31 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -81.13 178.93 8.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 10.0 109.335 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.405 ' OD2' ' ND2' ' A' ' 86' ' ' ASN . 4.3 m-20 -116.75 90.75 3.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 10.0 109.3 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.52 -20.84 14.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 10.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.727 HD13 ' HE3' ' A' ' 75' ' ' LYS . 7.7 mt 58.29 19.32 6.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 10.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 172.7 76.72 0.05 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.497 1.123 . . . . 10.0 111.003 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 11.4 mttm -94.47 -24.01 17.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 0.779 . . . . 10.0 109.279 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 127.02 -38.13 2.23 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.512 1.132 . . . . 10.0 111.017 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -68.34 -169.63 5.39 Favored Glycine 0 CA--C 1.531 1.047 0 N-CA-C 110.994 -0.842 . . . . 10.0 110.994 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . 0.436 ' HA ' ' CG2' ' A' ' 135' ' ' THR . 1.1 m-80 -152.93 144.22 23.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 0.775 . . . . 10.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 73.98 29.71 1.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 10.0 110.304 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -154.37 -62.2 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 10.0 110.28 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 90.5 p -87.67 -12.2 46.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 10.0 110.007 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 71' ' ' HIS . 12.4 p -78.98 -17.82 54.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 10.0 110.42 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.77 -31.86 7.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 10.0 109.313 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . 0.429 ' OG1' ' N ' ' A' ' 138' ' ' GLY . 59.2 p -138.71 -102.58 0.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 10.0 110.402 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . 0.429 ' N ' ' OG1' ' A' ' 137' ' ' THR . . . -160.69 28.07 0.31 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.482 1.113 . . . . 10.0 110.965 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 50.25 40.86 23.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 0.754 . . . . 10.0 109.319 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 141' ' ' GLY . . . -127.24 -61.96 1.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 10.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 140' ' ' ALA . . . 36.78 88.96 0.01 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.455 1.097 . . . . 10.0 111.001 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . 0.4 ' HB2' ' CB ' ' A' ' 121' ' ' GLU . 4.5 m -154.06 109.82 3.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 0.742 . . . . 10.0 109.983 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 15.3 mtp180 -61.91 172.05 1.47 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 10.0 110.336 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.543 HD13 HG23 ' A' ' 119' ' ' VAL . 2.6 mp -146.99 -71.55 0.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 10.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . 0.512 ' O ' HG23 ' A' ' 118' ' ' VAL . . . -121.7 167.38 13.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 10.0 109.344 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' CYS . . . . . 0.469 ' HB2' ' CG2' ' A' ' 116' ' ' THR . 0.6 OUTLIER -144.44 69.28 1.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 10.0 108.302 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . 0.418 ' H ' HD13 ' A' ' 8' ' ' LEU . . . -46.96 -51.76 12.97 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.485 1.115 . . . . 10.0 111.014 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.91 HG23 HG23 ' A' ' 116' ' ' THR . 3.8 t 65.91 138.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 0.779 . . . . 10.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' ILE . . . . . 1.124 HG23 ' HB1' ' A' ' 4' ' ' ALA . 2.5 mp -91.42 130.13 41.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 10.0 109.261 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -139.18 129.08 4.26 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.508 1.13 . . . . 10.0 111.034 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . 0.576 ' CD1' HG23 ' A' ' 2' ' ' THR . 23.1 mm -47.93 139.02 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.559 0.799 . . . . 10.0 109.273 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -141.28 171.36 14.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 10.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 10.0 110.296 -179.985 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.744 ' H1 ' ' HA ' ' A' ' 23' ' ' LYS . . . . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.316 -0.624 . . . . 10.0 109.316 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.604 ' CG2' ' CD1' ' A' ' 151' ' ' ILE . 27.9 m -85.21 79.17 9.64 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.094 . . . . 10.0 110.37 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.471 ' HA ' ' O ' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -84.68 120.86 26.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 10.0 109.313 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.635 ' HB3' ' HB2' ' A' ' 20' ' ' PHE . . . -107.01 164.33 12.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 10.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.879 HG23 ' CB ' ' A' ' 152' ' ' ALA . 17.6 t -132.79 166.54 29.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 10.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.839 ' HB3' HG23 ' A' ' 18' ' ' ILE . . . -156.64 95.82 1.58 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 10.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.664 ' O ' HG13 ' A' ' 7' ' ' VAL . 10.9 p -81.07 89.68 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 10.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 1.109 HD12 ' HB1' ' A' ' 145' ' ' ALA . 2.3 mm? -37.9 151.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 10.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 50.5 tttt -178.97 130.43 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 10.0 109.27 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -171.25 -104.07 0.17 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.507 1.129 . . . . 10.0 111.013 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.872 ' HB2' HD22 ' A' ' 144' ' ' LEU . 35.2 t0 -44.99 -68.06 0.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 0.769 . . . . 10.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.465 ' N ' ' CD ' ' A' ' 13' ' ' PRO . . . 163.0 -53.05 0.3 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.485 1.115 . . . . 10.0 110.983 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.465 ' CD ' ' N ' ' A' ' 12' ' ' GLY . 18.3 Cg_endo -74.98 -13.4 21.46 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.525 1.802 . . . . 10.0 110.995 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.513 HG11 ' HB2' ' A' ' 145' ' ' ALA . 0.5 OUTLIER -96.65 116.55 39.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 10.0 109.285 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -147.37 62.03 1.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 10.0 110.318 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.473 ' CA ' ' HA ' ' A' ' 35' ' ' ILE . . . -60.28 175.31 4.38 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.51 1.131 . . . . 10.0 110.974 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 53.7 mt -141.75 95.6 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.495 0.762 . . . . 10.0 109.288 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.962 HD12 ' N ' ' A' ' 19' ' ' ASN . 0.1 OUTLIER -107.77 136.5 42.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 10.0 109.272 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.962 ' N ' HD12 ' A' ' 18' ' ' ILE . 0.1 OUTLIER -130.92 147.31 52.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 10.0 109.308 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.759 ' CE1' HG13 ' A' ' 31' ' ' VAL . 2.8 m-85 -113.82 144.59 42.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.44 1.088 . . . . 10.0 111.009 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -140.25 143.34 35.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 10.0 110.292 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.639 ' CD ' HG22 ' A' ' 29' ' ' VAL . 4.4 tp60 -153.67 70.15 0.83 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 10.0 110.313 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.744 ' HA ' ' H1 ' ' A' ' 1' ' ' ALA . 0.5 OUTLIER -83.93 48.8 1.51 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 10.0 109.292 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.419 ' HB3' ' N ' ' A' ' 27' ' ' GLY . 10.9 mm-40 -155.78 142.63 18.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 10.0 110.321 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.8 m -81.68 -11.89 58.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 10.0 109.964 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -155.51 35.95 0.37 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 10.0 109.281 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.419 ' N ' ' HB3' ' A' ' 24' ' ' GLU . . . -113.9 171.26 13.7 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.48 1.112 . . . . 10.0 110.973 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.451 ' HA ' ' O ' ' A' ' 101' ' ' ASP . 18.3 Cg_endo -74.96 147.89 34.72 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.53 1.805 . . . . 10.0 111.017 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.89 ' O ' HG23 ' A' ' 31' ' ' VAL . 38.6 t -84.96 92.52 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 10.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.463 ' O ' ' CZ3' ' A' ' 32' ' ' TRP . 26.6 mttt -53.72 98.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 10.0 109.312 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.89 HG23 ' O ' ' A' ' 29' ' ' VAL . 59.1 t -103.01 124.57 57.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 10.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.463 ' CZ3' ' O ' ' A' ' 30' ' ' LYS . 33.1 p90 -148.76 141.37 24.44 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.999 -1.111 . . . . 10.0 107.999 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.409 ' O ' ' HA ' ' A' ' 96' ' ' ASP . . . -153.78 -174.65 24.21 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.454 1.096 . . . . 10.0 110.993 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.7 t -155.57 120.88 4.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 0.77 . . . . 10.0 109.973 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.725 HG21 HD13 ' A' ' 38' ' ' LEU . 0.5 OUTLIER -84.01 160.51 3.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 10.0 109.318 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.523 ' CG ' ' O ' ' A' ' 35' ' ' ILE . 49.9 mttt -156.77 103.61 2.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 10.0 109.283 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.431 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 161.56 -56.82 0.31 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.473 1.108 . . . . 10.0 110.994 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.725 HD13 HG21 ' A' ' 35' ' ' ILE . 1.1 mp -57.96 -156.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 0.742 . . . . 10.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.41 ' CA ' ' CA ' ' A' ' 93' ' ' GLY . 50.2 p -149.93 154.07 37.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 10.0 110.422 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.583 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 4.8 tt0 -40.37 115.75 0.59 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 10.0 110.314 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.513 ' C ' HD13 ' A' ' 42' ' ' LEU . . . 160.02 -148.91 18.01 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.474 1.109 . . . . 10.0 111.011 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.513 HD13 ' C ' ' A' ' 41' ' ' GLY . 0.4 OUTLIER -104.93 166.67 10.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 0.765 . . . . 10.0 109.31 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.562 ' CG ' HD22 ' A' ' 38' ' ' LEU . 34.4 m-70 -141.85 161.69 37.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 10.0 109.624 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.49 ' HA3' ' CG ' ' A' ' 120' ' ' HIS . . . -52.43 -99.51 0.01 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.471 1.107 . . . . 10.0 111.041 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.459 ' O ' ' NH2' ' A' ' 143' ' ' ARG . 24.0 t80 177.42 156.14 0.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 0.79 . . . . 10.0 110.967 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.507 ' ND1' HD13 ' A' ' 117' ' ' LEU . 0.0 OUTLIER -87.43 176.09 7.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 10.0 109.639 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.402 ' HB ' ' O ' ' A' ' 46' ' ' HIS . 11.5 t 74.21 129.21 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 10.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.443 ' O ' ' CG ' ' A' ' 48' ' ' HIS . 2.6 p-80 -161.48 116.6 2.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 10.0 109.618 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 72.13 148.96 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 10.0 110.235 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.13 123.32 24.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 10.0 110.29 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 76.94 -175.65 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 10.0 110.33 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -163.02 144.06 9.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 10.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 34.0 m-80 -168.91 38.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 10.0 109.344 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.564 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 3.1 t -126.71 -53.52 1.44 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 10.0 110.393 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.564 ' HB3' ' O ' ' A' ' 54' ' ' THR . . . 75.61 -57.82 0.57 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 10.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -67.68 -32.32 78.04 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.507 1.13 . . . . 10.0 110.979 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 5.9 m 64.87 129.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.28 -1.007 . . . . 10.0 108.28 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 56.8 p -119.45 -149.59 0.44 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 10.0 110.444 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 63.3 p -123.69 81.98 1.96 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 10.0 109.961 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -103.65 -67.96 0.86 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.557 1.161 . . . . 10.0 109.27 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 179.21 89.21 0.07 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.461 1.101 . . . . 10.0 111.009 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 111.14 3.26 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.515 1.797 . . . . 10.0 111.015 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.3 p80 -155.14 42.38 0.45 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 10.0 109.6 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 43.55 -163.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 10.0 111.011 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.998 ' HB2' HG21 ' A' ' 81' ' ' VAL . 21.4 m-80 -87.42 156.49 53.76 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 10.0 109.331 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 61.24 5.62 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.48 1.779 . . . . 10.0 110.947 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -147.98 -44.57 0.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 10.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.47 ' O ' ' HB2' ' A' ' 69' ' ' ARG . 57.0 p -64.09 -17.62 63.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 10.0 109.975 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.47 ' HB2' ' O ' ' A' ' 68' ' ' SER . 83.4 mtt180 68.13 -62.88 0.35 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.504 1.128 . . . . 10.0 110.276 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 68' ' ' SER . 16.4 mttt -155.0 171.7 19.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.575 1.172 . . . . 10.0 109.317 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.597 ' CE1' ' OD2' ' A' ' 124' ' ' ASP . 0.0 OUTLIER -58.13 173.29 0.36 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 10.0 109.573 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 177.1 -149.0 9.2 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.502 1.126 . . . . 10.0 110.991 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -101.92 -120.99 4.78 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.009 -0.836 . . . . 10.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -67.91 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.519 1.8 . . . . 10.0 111.002 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 177.76 70.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 10.0 109.315 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -142.81 -49.5 0.34 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 10.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.404 ' O ' ' CB ' ' A' ' 78' ' ' GLU . 3.0 tt0 -99.91 -1.19 37.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 10.0 110.268 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.404 ' CB ' ' O ' ' A' ' 77' ' ' GLU . 1.0 OUTLIER 166.99 -174.83 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.454 1.096 . . . . 10.0 110.305 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.4 mtt-85 58.53 69.84 0.7 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 10.0 110.323 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -111.53 12.91 21.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 10.0 109.581 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.998 HG21 ' HB2' ' A' ' 65' ' ' ASN . 1.4 p -102.51 -46.12 10.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 10.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.438 ' N ' ' CG1' ' A' ' 81' ' ' VAL . . . -109.97 -39.23 1.58 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.458 1.099 . . . . 10.0 110.99 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.444 ' O ' ' CB ' ' A' ' 84' ' ' LEU . 4.2 m-20 62.68 -160.23 0.31 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 0.769 . . . . 10.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.444 ' CB ' ' O ' ' A' ' 83' ' ' ASP . 0.9 OUTLIER 83.42 -63.72 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.44 1.088 . . . . 10.0 109.321 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 110.06 -124.98 7.35 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.492 1.12 . . . . 10.0 110.994 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -100.46 174.24 6.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 0.781 . . . . 10.0 109.342 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.429 ' O ' ' HA ' ' A' ' 42' ' ' LEU . 2.2 t -116.61 158.81 16.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 10.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 12.3 m -121.42 146.42 46.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 10.0 110.416 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.61 ' HB1' ' C ' ' A' ' 93' ' ' GLY . . . -100.55 174.8 5.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 10.0 109.338 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.453 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 7.9 t0 -80.06 -96.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 10.0 109.325 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.453 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 51.4 pttt -137.3 12.08 3.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 10.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -159.58 28.17 0.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 10.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.61 ' C ' ' HB1' ' A' ' 89' ' ' ALA . . . 93.13 -40.77 2.77 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.502 1.126 . . . . 10.0 111.007 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.569 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 46.9 t -39.88 112.23 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.477 0.751 . . . . 10.0 109.337 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.412 ' H ' HG22 ' A' ' 35' ' ' ILE . . . -112.74 117.16 31.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 10.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.409 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 6.3 p-10 -102.67 149.26 24.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 10.0 109.302 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.521 HG12 HD12 ' A' ' 99' ' ' ILE . 18.4 t -131.08 156.13 42.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 10.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 12.9 t -174.0 96.11 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 10.0 109.978 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.521 HD12 HG12 ' A' ' 97' ' ' VAL . 2.0 mp -131.57 165.83 30.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 10.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.482 ' N ' HG22 ' A' ' 99' ' ' ILE . 4.3 pt-20 -130.24 90.8 3.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 10.0 110.29 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.451 ' O ' ' HA ' ' A' ' 28' ' ' PRO . 32.2 m-20 -96.87 125.86 41.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 10.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.86 -29.31 11.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 10.0 109.956 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 60.0 t -57.79 -50.42 77.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 10.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 1.011 HD13 HG21 ' A' ' 112' ' ' ILE . 1.8 pp -77.29 169.18 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 10.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 175.18 170.29 0.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 10.0 109.993 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.459 HD23 HG13 ' A' ' 113' ' ' ILE . 0.2 OUTLIER -90.26 54.03 2.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 10.0 109.317 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -107.57 167.62 9.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 10.0 110.048 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -79.69 52.93 4.24 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.483 1.115 . . . . 10.0 110.984 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -169.6 -51.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 0.782 . . . . 10.0 109.284 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.403 ' O ' ' C ' ' A' ' 111' ' ' SER . 6.0 m80 -110.89 24.35 13.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 10.0 109.557 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 110' ' ' HIS . 54.9 p -38.97 136.57 0.77 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 10.0 110.014 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 1.011 HG21 HD13 ' A' ' 104' ' ' ILE . 28.5 pt -104.29 -34.48 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 10.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.459 HG13 HD23 ' A' ' 106' ' ' LEU . 8.2 mt -44.77 123.25 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 10.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 115.69 6.04 17.59 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.507 1.13 . . . . 10.0 111.053 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.407 ' O ' ' CD1' ' A' ' 149' ' ' ILE . 2.2 mtt180 -96.04 71.32 2.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 0.797 . . . . 10.0 110.319 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.57 ' HB ' HG22 ' A' ' 148' ' ' VAL . 2.0 t -61.93 141.95 57.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 10.0 110.395 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.736 ' O ' HD11 ' A' ' 8' ' ' LEU . 0.4 OUTLIER -88.17 79.44 7.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.128 . . . . 10.0 109.281 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.724 HG13 ' O ' ' A' ' 145' ' ' ALA . 2.6 t -78.21 144.44 11.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 10.0 109.314 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.41 HG22 ' HB3' ' A' ' 145' ' ' ALA . 33.9 m -141.45 130.79 24.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 10.0 109.312 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.49 ' CG ' ' HA3' ' A' ' 44' ' ' GLY . 8.6 m170 -84.94 157.36 20.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 10.0 109.586 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -49.98 -45.07 51.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 10.0 110.311 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.659 ' HB3' ' HB1' ' A' ' 140' ' ' ALA . 0.4 OUTLIER -149.04 156.91 42.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.15 . . . . 10.0 109.282 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.406 ' HB2' ' N ' ' A' ' 43' ' ' HIS . . . -63.82 -165.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 10.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.597 ' OD2' ' CE1' ' A' ' 71' ' ' HIS . 3.5 t0 -111.08 -83.43 0.57 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 10.0 109.345 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . 0.517 ' CB ' ' O ' ' A' ' 124' ' ' ASP . 3.0 m-20 154.4 44.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 10.0 109.273 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 54.1 mt 42.1 27.66 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 10.0 109.293 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . 0.441 ' N ' ' C ' ' A' ' 125' ' ' ASP . . . 103.16 126.25 5.82 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.541 1.15 . . . . 10.0 110.99 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 4.2 pttt -102.88 -26.99 12.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 0.794 . . . . 10.0 109.328 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 120.5 -51.48 0.77 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.518 1.136 . . . . 10.0 110.984 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -50.56 -178.58 0.02 OUTLIER Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.992 -0.843 . . . . 10.0 110.992 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . 0.492 ' O ' ' CB ' ' A' ' 132' ' ' GLU . 39.3 m-20 -149.18 147.4 28.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 0.751 . . . . 10.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.492 ' CB ' ' O ' ' A' ' 131' ' ' ASN . 16.3 tt0 85.07 30.38 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 10.0 110.29 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -164.89 -54.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 10.0 110.239 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . 0.466 ' O ' ' CG ' ' A' ' 71' ' ' HIS . 2.0 p -93.25 -23.51 18.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 10.0 109.969 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 56.1 p -78.43 -10.09 59.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 10.0 110.416 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -110.9 -37.82 5.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 10.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 58.5 p -130.78 -98.58 0.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 10.0 110.433 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . 0.447 ' C ' ' N ' ' A' ' 140' ' ' ALA . . . -167.55 29.51 0.17 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.469 1.105 . . . . 10.0 111.027 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . 0.433 ' O ' ' ND2' ' A' ' 139' ' ' ASN . 30.9 t30 39.18 31.4 0.05 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 0.799 . . . . 10.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.659 ' HB1' ' HB3' ' A' ' 122' ' ' LYS . . . -128.55 -56.66 1.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 10.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -154.87 -126.19 1.01 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.478 1.111 . . . . 10.0 111.027 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 30.5 t 177.08 172.66 0.48 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 0.768 . . . . 10.0 109.989 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . 0.664 ' CD ' HG11 ' A' ' 118' ' ' VAL . 0.0 OUTLIER -39.13 133.64 1.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 10.0 110.285 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.872 HD22 ' HB2' ' A' ' 11' ' ' ASP . 20.5 mt -145.29 33.24 1.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 10.0 109.267 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . 1.109 ' HB1' HD12 ' A' ' 8' ' ' LEU . . . -173.87 159.41 3.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 10.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' CYS . . . . . 0.427 ' HA ' ' OG1' ' A' ' 116' ' ' THR . 3.5 m -155.58 66.31 0.62 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 10.0 108.27 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . 0.791 ' O ' ' HB1' ' A' ' 6' ' ' ALA . . . -75.55 63.52 2.64 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.518 1.136 . . . . 10.0 111.055 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.57 HG22 ' HB ' ' A' ' 116' ' ' THR . 28.0 t -54.02 130.58 15.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.475 0.75 . . . . 10.0 109.283 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' ILE . . . . . 0.766 HG13 ' HB2' ' A' ' 6' ' ' ALA . 1.8 mp -90.86 106.02 17.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 10.0 109.257 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -125.86 156.71 19.62 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.518 1.136 . . . . 10.0 111.026 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . 0.604 ' CD1' ' CG2' ' A' ' 2' ' ' THR . 6.9 mm -42.91 150.68 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 0.778 . . . . 10.0 109.263 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . 0.879 ' CB ' HG23 ' A' ' 5' ' ' VAL . . . -154.57 163.61 39.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 10.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 10.0 110.273 -179.964 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.292 -0.632 . . . . 10.0 109.292 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.994 HG22 HD12 ' A' ' 151' ' ' ILE . 1.9 m -92.3 103.21 15.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 10.0 110.38 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -86.48 145.7 26.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 10.0 109.323 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.762 ' HB3' ' HB2' ' A' ' 20' ' ' PHE . . . -128.28 167.3 17.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 10.0 109.253 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.9 t -139.84 153.13 22.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 10.0 109.351 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 1.037 ' HB2' HD13 ' A' ' 149' ' ' ILE . . . -155.8 83.85 1.02 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 10.0 109.28 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.627 HG23 ' O ' ' A' ' 7' ' ' VAL . 5.1 m -85.34 104.6 13.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 10.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.61 HD23 ' N ' ' A' ' 8' ' ' LEU . 2.0 mt -49.75 131.76 21.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 10.0 109.331 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.505 ' N ' ' HB1' ' A' ' 145' ' ' ALA . 2.2 ttmt -164.85 110.24 0.95 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 10.0 109.312 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -172.02 -79.26 0.05 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.477 1.111 . . . . 10.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -43.61 -57.69 3.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 0.746 . . . . 10.0 109.29 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 153.42 -64.97 0.34 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.533 1.146 . . . . 10.0 110.983 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.446 ' O ' ' N ' ' A' ' 15' ' ' GLN . 18.4 Cg_endo -75.02 -45.46 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.551 1.816 . . . . 10.0 111.004 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.521 HG21 HD13 ' A' ' 144' ' ' LEU . 94.3 t -55.72 89.34 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 10.0 109.258 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 13' ' ' PRO . 1.3 tt0 -117.5 44.03 2.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 10.0 110.315 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.436 ' CA ' ' HA ' ' A' ' 35' ' ' ILE . . . -58.17 162.77 9.51 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.474 1.109 . . . . 10.0 110.979 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 49.4 mt -137.75 95.43 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.537 0.787 . . . . 10.0 109.274 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.809 HG23 ' HB3' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -111.05 154.04 12.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 10.0 109.312 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.463 ' N ' HD13 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -135.81 173.07 12.12 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 10.0 109.342 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.762 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 2.5 m-85 -140.58 114.56 9.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 10.0 110.989 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 30' ' ' LYS . 21.9 tt0 -116.9 143.09 46.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 10.0 110.271 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.42 ' HB2' HG22 ' A' ' 29' ' ' VAL . 38.7 tt0 -138.94 93.78 2.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 10.0 110.294 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.47 52.99 2.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 10.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.512 ' O ' ' CB ' ' A' ' 25' ' ' SER . 1.0 OUTLIER -153.96 -45.78 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.155 . . . . 10.0 110.325 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.512 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 1.0 OUTLIER 85.74 -13.38 0.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 10.0 110.004 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -157.48 25.36 0.29 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 10.0 109.306 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -127.05 -146.77 6.55 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.537 1.148 . . . . 10.0 110.957 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.458 ' HA ' ' O ' ' A' ' 101' ' ' ASP . 18.4 Cg_endo -74.96 156.37 43.15 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.48 1.779 . . . . 10.0 110.977 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.527 HG11 ' HD2' ' A' ' 20' ' ' PHE . 93.7 t -115.02 119.88 63.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 10.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 21' ' ' GLU . 3.6 mttt -74.41 94.84 2.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.581 1.176 . . . . 10.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.581 HG13 ' CE1' ' A' ' 20' ' ' PHE . 25.5 t -89.87 133.88 30.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 10.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 1.4 p90 -165.36 140.6 5.12 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 10.0 108.025 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.447 ' CA ' ' HA ' ' A' ' 18' ' ' ILE . . . -160.76 -166.85 20.33 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.487 1.117 . . . . 10.0 110.993 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.8 m -157.72 120.71 3.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 0.764 . . . . 10.0 110.053 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.735 HG21 HD13 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -84.58 166.04 2.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 10.0 109.308 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.504 ' N ' HG23 ' A' ' 35' ' ' ILE . 4.1 mttm -156.51 107.82 2.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 10.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.443 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 146.44 -51.79 0.58 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.465 1.103 . . . . 10.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.798 HD11 HG21 ' A' ' 119' ' ' VAL . 3.1 mp -55.59 -163.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 0.783 . . . . 10.0 109.257 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.41 ' O ' ' C ' ' A' ' 40' ' ' GLU . 42.6 p -145.2 150.51 36.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 10.0 110.42 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.812 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -38.0 118.69 0.71 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 10.0 110.311 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.406 ' O ' ' HA ' ' A' ' 88' ' ' THR . . . 153.05 177.96 27.15 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.476 1.11 . . . . 10.0 111.014 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.0 mp -81.59 135.12 35.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 0.749 . . . . 10.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.698 ' NE2' ' HB2' ' A' ' 89' ' ' ALA . 59.8 m-70 -111.59 169.31 8.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 10.0 109.576 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.572 ' HA3' ' CD2' ' A' ' 120' ' ' HIS . . . -74.78 179.31 44.51 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.477 1.111 . . . . 10.0 111.042 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.596 ' CD1' ' NH2' ' A' ' 79' ' ' ARG . 16.7 m-85 -85.12 153.58 22.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 0.79 . . . . 10.0 110.979 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.507 ' CG ' HG23 ' A' ' 47' ' ' VAL . 4.3 p80 -76.42 175.5 9.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 10.0 109.596 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.507 HG23 ' CG ' ' A' ' 46' ' ' HIS . 6.1 t 73.98 134.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 10.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 39.4 p-80 -142.91 164.47 30.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 10.0 109.589 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.441 ' O ' ' HA ' ' A' ' 62' ' ' PRO . 1.6 tt0 -168.03 167.87 12.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 10.0 110.289 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -167.98 -64.29 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 10.0 110.267 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -139.86 -45.37 0.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 10.0 110.27 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -102.94 174.65 5.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 10.0 109.257 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -105.42 28.35 7.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 10.0 109.25 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.508 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 0.9 OUTLIER -143.7 -47.62 0.29 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.108 . . . . 10.0 110.425 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.508 ' HB3' ' O ' ' A' ' 54' ' ' THR . . . 71.95 -58.84 0.57 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 10.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 115.3 25.31 3.84 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.495 1.122 . . . . 10.0 110.994 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 46.97 76.87 0.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.286 -1.005 . . . . 10.0 108.286 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 82.8 p -127.9 -136.1 0.24 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 10.0 110.374 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 29.8 t -164.53 94.3 0.69 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 10.0 109.984 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -133.0 -71.1 0.53 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 10.0 109.288 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 175.87 136.37 2.32 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.487 1.117 . . . . 10.0 111.044 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.441 ' HA ' ' O ' ' A' ' 49' ' ' GLU . 18.2 Cg_endo -75.07 178.62 7.03 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.521 1.8 . . . . 10.0 110.997 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 30.6 t60 -148.4 -46.55 0.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 10.0 109.585 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 67.24 -172.9 0.19 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 10.0 111.007 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -100.62 129.38 27.81 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 10.0 109.28 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 78.2 2.96 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.485 1.782 . . . . 10.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.403 HD22 ' HA ' ' A' ' 67' ' ' LEU . 1.9 tm? -146.72 -52.57 0.22 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 10.0 109.327 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.454 ' O ' ' HA ' ' A' ' 78' ' ' GLU . 0.9 OUTLIER -114.34 -26.46 7.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 10.0 109.993 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.528 ' CZ ' HG22 ' A' ' 137' ' ' THR . 0.0 OUTLIER -69.19 63.48 0.14 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 10.0 110.263 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt -152.84 61.21 0.79 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.1 . . . . 10.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 62.06 146.72 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.517 1.136 . . . . 10.0 109.608 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.437 ' N ' ' OE1' ' A' ' 78' ' ' GLU . . . 173.65 -104.62 0.2 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.507 1.129 . . . . 10.0 111.027 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -153.62 -127.76 1.21 Allowed Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.06 -0.816 . . . . 10.0 111.06 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -75.47 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.501 1.79 . . . . 10.0 110.961 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.07 79.88 0.69 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 10.0 109.235 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -166.46 -43.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 10.0 109.325 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -112.82 8.14 18.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 10.0 110.312 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.542 ' O ' ' C ' ' A' ' 79' ' ' ARG . 30.4 tt0 -170.42 157.42 6.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 10.0 110.271 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.596 ' NH2' ' CD1' ' A' ' 45' ' ' PHE . 4.4 ptm180 27.07 55.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 10.0 110.285 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 16.6 t60 -115.12 -10.65 12.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 10.0 109.579 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.9 p -58.99 -43.19 88.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 10.0 109.331 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.412 ' O ' ' O ' ' A' ' 83' ' ' ASP . . . -141.46 -42.0 0.07 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.509 1.13 . . . . 10.0 111.033 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.412 ' O ' ' O ' ' A' ' 82' ' ' GLY . 1.9 m-20 -48.59 176.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 0.763 . . . . 10.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -141.68 -64.19 0.44 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 10.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.506 ' HA2' ' CE2' ' A' ' 45' ' ' PHE . . . -176.99 -169.4 38.19 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.556 1.16 . . . . 10.0 110.97 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.591 ' OD1' ' CE1' ' A' ' 45' ' ' PHE . 1.7 m-20 -84.95 123.79 30.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 0.788 . . . . 10.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.508 HG23 ' HB2' ' A' ' 43' ' ' HIS . 12.4 m -97.49 118.48 44.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 10.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' A' ' 41' ' ' GLY . 15.0 m -96.15 154.96 16.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 10.0 110.402 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.812 ' HB3' ' HA ' ' A' ' 40' ' ' GLU . . . -85.28 168.05 15.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 10.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.453 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 12.0 t0 -77.74 -96.86 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.496 1.123 . . . . 10.0 109.253 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.453 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 1.7 ptpt -134.71 8.87 3.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 10.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -159.45 26.74 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.571 1.17 . . . . 10.0 109.269 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.656 ' CA ' ' HB1' ' A' ' 89' ' ' ALA . . . 98.31 -44.62 1.75 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.506 1.129 . . . . 10.0 110.978 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.465 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 21.6 t -39.6 99.44 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.47 0.747 . . . . 10.0 109.296 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 93' ' ' GLY . . . -101.15 118.1 36.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 10.0 109.262 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.422 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 2.0 p-10 -109.62 150.25 28.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 10.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.621 ' CG1' HD12 ' A' ' 99' ' ' ILE . 24.7 t -123.24 163.93 21.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 10.0 109.261 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.439 ' N ' HG12 ' A' ' 97' ' ' VAL . 79.7 p -177.4 82.94 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 10.0 110.024 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.621 HD12 ' CG1' ' A' ' 97' ' ' VAL . 2.3 mp -134.98 168.06 24.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 10.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.535 ' N ' HG22 ' A' ' 99' ' ' ILE . 0.8 OUTLIER -129.76 95.89 4.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 10.0 110.279 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.458 ' O ' ' HA ' ' A' ' 28' ' ' PRO . 54.2 t0 -85.72 118.25 25.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 10.0 109.262 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.433 ' O ' HG23 ' A' ' 103' ' ' VAL . 21.6 t -102.05 61.91 0.88 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 10.0 110.033 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 102' ' ' SER . 50.4 t -153.41 -70.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 10.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.709 HD12 ' C ' ' A' ' 104' ' ' ILE . 1.9 pp -51.24 -179.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.158 . . . . 10.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.412 ' CB ' ' HB2' ' A' ' 109' ' ' ASP . 0.1 OUTLIER -167.43 153.86 8.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 10.0 109.987 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.764 ' CD2' HD11 ' A' ' 112' ' ' ILE . 3.5 mm? -62.26 -47.07 85.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 10.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 39.0 m -155.92 151.69 27.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 10.0 109.993 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 72.48 57.32 5.58 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.469 1.105 . . . . 10.0 110.973 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.412 ' HB2' ' CB ' ' A' ' 105' ' ' SER . 4.6 m-20 173.86 -92.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 0.737 . . . . 10.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.497 ' HE1' HG22 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -117.37 -17.78 10.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 10.0 109.596 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.411 ' O ' ' O ' ' A' ' 110' ' ' HIS . 36.3 t 57.49 111.96 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.514 1.134 . . . . 10.0 110.034 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.764 HD11 ' CD2' ' A' ' 106' ' ' LEU . 6.9 pt -96.97 -37.29 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 10.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.5 HD11 HG12 ' A' ' 151' ' ' ILE . 5.0 mt -40.29 118.11 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 10.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 114.73 -7.28 22.14 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.498 1.124 . . . . 10.0 111.035 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.29 87.42 6.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 0.748 . . . . 10.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.654 HG23 HG23 ' A' ' 118' ' ' VAL . 0.3 OUTLIER -70.86 144.56 50.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 10.0 110.374 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.499 HD13 ' HB3' ' A' ' 46' ' ' HIS . 0.2 OUTLIER -87.27 70.07 10.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 10.0 109.312 179.94 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.654 HG23 HG23 ' A' ' 116' ' ' THR . 14.2 t -82.23 172.63 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 10.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.798 HG21 HD11 ' A' ' 38' ' ' LEU . 2.7 m -148.51 139.31 17.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 10.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.572 ' CD2' ' HA3' ' A' ' 44' ' ' GLY . 8.3 m-70 -84.59 160.08 20.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 10.0 109.593 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -88.11 63.81 7.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 10.0 110.278 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.485 ' HB2' ' HB1' ' A' ' 140' ' ' ALA . 0.0 OUTLIER 171.5 169.89 0.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 10.0 109.31 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -70.02 -165.69 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 10.0 109.305 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.498 ' OD2' ' CD1' ' A' ' 45' ' ' PHE . 8.2 m-20 -142.02 97.0 3.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.103 . . . . 10.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . 0.433 ' O ' ' N ' ' A' ' 127' ' ' GLY . 6.5 m-20 -132.75 104.83 6.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 10.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.589 HD21 ' NH1' ' A' ' 79' ' ' ARG . 3.3 mt -69.58 54.25 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.142 . . . . 10.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 125' ' ' ASP . . . 171.96 77.72 0.05 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.471 1.107 . . . . 10.0 111.052 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 6.6 mttm -108.42 30.55 6.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 0.742 . . . . 10.0 109.308 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 84.25 -49.84 4.3 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.485 1.116 . . . . 10.0 110.982 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -65.36 -176.14 5.68 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.001 -0.84 . . . . 10.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -147.81 142.62 26.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 0.772 . . . . 10.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 73.65 27.67 1.74 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.098 . . . . 10.0 110.296 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.82 -60.99 0.5 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 10.0 110.32 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 49.5 p -90.4 -29.33 18.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 10.0 110.026 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 43.5 p -58.36 -16.43 14.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 10.0 110.387 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.5 -36.36 5.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 10.0 109.292 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . 0.528 HG22 ' CZ ' ' A' ' 69' ' ' ARG . 80.6 p -130.32 -101.86 0.3 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 10.0 110.399 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . 0.427 ' N ' ' OG1' ' A' ' 137' ' ' THR . . . -169.06 30.28 0.16 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.538 1.149 . . . . 10.0 111.019 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 48.06 59.92 3.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 0.757 . . . . 10.0 109.335 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.485 ' HB1' ' HB2' ' A' ' 122' ' ' LYS . . . -163.5 -62.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 10.0 109.352 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 140' ' ' ALA . . . 36.33 92.06 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.505 1.128 . . . . 10.0 110.96 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -149.81 70.93 1.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 0.745 . . . . 10.0 109.984 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 1.1 ptt-85 -47.13 157.12 0.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 10.0 110.311 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.521 HD13 HG21 ' A' ' 14' ' ' VAL . 62.6 mt -124.11 -86.56 0.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 10.0 109.313 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . 0.576 ' O ' HG13 ' A' ' 118' ' ' VAL . . . -95.84 174.47 6.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.42 1.075 . . . . 10.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' CYS . . . . . 0.443 ' HA ' ' OG1' ' A' ' 116' ' ' THR . 26.9 p -150.21 70.69 1.04 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 10.0 108.276 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . 0.44 ' N ' ' HA ' ' A' ' 8' ' ' LEU . . . -48.89 -48.85 29.99 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.499 1.125 . . . . 10.0 110.988 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.496 ' CG2' ' HB ' ' A' ' 116' ' ' THR . 53.1 t 66.09 125.56 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.486 0.756 . . . . 10.0 109.256 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' ILE . . . . . 1.037 HD13 ' HB2' ' A' ' 6' ' ' ALA . 24.0 mm -71.86 137.44 23.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 10.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -153.04 117.43 0.81 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.548 1.155 . . . . 10.0 110.996 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . 0.994 HD12 HG22 ' A' ' 2' ' ' THR . 19.1 mm -47.52 137.24 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 0.757 . . . . 10.0 109.312 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -127.7 175.02 8.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 10.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 10.0 110.314 179.978 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' A' ' 22' ' ' GLN . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.297 -0.631 . . . . 10.0 109.297 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.818 HG21 HG23 ' A' ' 151' ' ' ILE . 28.4 m -89.14 154.53 20.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 10.0 110.381 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.605 ' O ' ' HB3' ' A' ' 152' ' ' ALA . 1.0 OUTLIER -106.84 109.15 20.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 10.0 109.309 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.952 ' HB3' ' HB2' ' A' ' 20' ' ' PHE . . . -84.3 167.27 16.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 10.0 109.29 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.46 HG22 ' HB2' ' A' ' 152' ' ' ALA . 0.0 OUTLIER -149.13 143.85 18.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 10.0 109.294 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.891 ' HB3' ' CG1' ' A' ' 18' ' ' ILE . . . -136.81 107.33 6.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 10.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.419 HG12 ' H ' ' A' ' 7' ' ' VAL . 3.4 p -82.04 88.55 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 10.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.464 HD13 ' HB1' ' A' ' 145' ' ' ALA . 0.4 OUTLIER -44.3 144.87 0.9 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 10.0 109.267 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 179.78 120.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 10.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -165.1 -98.64 0.13 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.455 1.097 . . . . 10.0 111.014 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -42.56 -62.11 1.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 0.743 . . . . 10.0 109.306 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.48 ' N ' ' CD ' ' A' ' 13' ' ' PRO . . . 162.26 -52.1 0.32 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.498 1.124 . . . . 10.0 111.03 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.48 ' CD ' ' N ' ' A' ' 12' ' ' GLY . 18.2 Cg_endo -75.02 -40.9 0.75 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.479 1.779 . . . . 10.0 110.998 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.928 HG22 ' CD1' ' A' ' 38' ' ' LEU . 36.8 t -61.21 82.44 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 10.0 109.266 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 13' ' ' PRO . 0.1 OUTLIER -121.84 60.87 0.96 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.164 . . . . 10.0 110.302 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.458 ' C ' HG13 ' A' ' 17' ' ' ILE . . . -94.01 -178.45 39.03 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.481 1.113 . . . . 10.0 110.981 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.458 HG13 ' C ' ' A' ' 16' ' ' GLY . 65.5 mt -143.48 117.29 3.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.533 0.784 . . . . 10.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.891 ' CG1' ' HB3' ' A' ' 6' ' ' ALA . 0.6 OUTLIER -96.96 160.93 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 10.0 109.324 179.934 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.683 ' N ' HD12 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -146.26 116.6 7.47 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.094 . . . . 10.0 109.305 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.952 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 4.4 m-30 -105.97 97.0 6.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.429 1.081 . . . . 10.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.408 ' C ' ' OE1' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -108.91 130.04 55.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 10.0 110.273 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.487 ' O ' ' N ' ' A' ' 1' ' ' ALA . 1.8 tt0 -122.11 59.23 1.01 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 10.0 110.278 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.8 mttt -70.83 65.89 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.091 . . . . 10.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.409 ' O ' ' N ' ' A' ' 26' ' ' ASN . 0.6 OUTLIER -150.8 155.9 40.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 10.0 110.283 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.429 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 4.4 m -69.56 57.87 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 10.0 109.989 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.429 ' CB ' ' O ' ' A' ' 25' ' ' SER . 0.7 OUTLIER 77.61 29.5 0.52 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 10.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -86.9 -145.55 9.39 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.474 1.109 . . . . 10.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.451 ' HA ' ' O ' ' A' ' 101' ' ' ASP . 18.2 Cg_endo -74.99 164.44 33.37 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.466 1.771 . . . . 10.0 110.986 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.425 HG21 ' CD1' ' A' ' 104' ' ' ILE . 93.5 t -103.48 123.33 56.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 10.0 109.366 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.4 mttt -78.97 88.76 4.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 10.0 109.311 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.816 HG13 ' CE1' ' A' ' 20' ' ' PHE . 46.2 t -86.4 128.21 39.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 10.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.55 ' CD2' ' OD1' ' A' ' 19' ' ' ASN . 0.0 OUTLIER -158.51 165.28 34.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 10.0 107.967 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.53 ' N ' ' CD1' ' A' ' 32' ' ' TRP . . . 162.45 -161.22 33.44 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.51 1.131 . . . . 10.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.419 ' O ' ' HA3' ' A' ' 16' ' ' GLY . 79.8 p -155.54 125.35 6.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 0.763 . . . . 10.0 109.987 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 1.039 HG22 HD21 ' A' ' 38' ' ' LEU . 10.1 mt -111.41 109.85 30.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 10.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.454 ' CB ' HG22 ' A' ' 94' ' ' VAL . 15.1 ptpt -112.49 114.84 27.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 10.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.77 -27.86 0.2 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.507 1.13 . . . . 10.0 111.007 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 1.039 HD21 HG22 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -84.89 -161.64 0.6 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 0.761 . . . . 10.0 109.284 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 46.5 p -125.41 156.58 38.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 10.0 110.382 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.902 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 2.4 tm-20 -58.12 143.78 42.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 10.0 110.267 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.406 ' O ' ' HA ' ' A' ' 88' ' ' THR . . . 128.93 176.31 14.39 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.476 1.11 . . . . 10.0 110.991 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.5 mp -55.05 159.94 2.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 0.774 . . . . 10.0 109.33 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.59 ' CG ' ' ND1' ' A' ' 120' ' ' HIS . 2.6 m-70 -155.37 164.85 38.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 10.0 109.577 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -82.65 -133.16 1.86 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.471 1.107 . . . . 10.0 110.966 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.447 ' CE2' ' CG1' ' A' ' 87' ' ' VAL . 0.2 OUTLIER -166.26 154.11 10.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 0.772 . . . . 10.0 111.002 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.494 ' C ' HG23 ' A' ' 47' ' ' VAL . 0.4 OUTLIER -50.99 174.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 10.0 109.584 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.494 HG23 ' C ' ' A' ' 46' ' ' HIS . 1.3 t 61.0 88.83 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 10.0 109.276 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 53.9 p-80 -177.42 75.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 10.0 109.541 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.401 ' O ' ' CE2' ' A' ' 64' ' ' PHE . 1.6 pm0 -93.59 95.85 9.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 10.0 110.314 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.23 -72.2 0.36 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 10.0 110.306 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -146.02 -170.69 3.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 10.0 110.295 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 70.68 115.01 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 10.0 109.346 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -99.77 47.63 0.95 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 10.0 109.292 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.589 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 0.7 OUTLIER -112.16 119.07 37.12 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.496 1.123 . . . . 10.0 110.363 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.589 ' HB2' ' O ' ' A' ' 54' ' ' THR . . . 169.69 116.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 10.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -100.03 66.28 0.58 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.511 1.132 . . . . 10.0 110.945 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 1.444 ' SG ' ' SG ' ' A' ' 146' ' ' CYS . 66.4 m -126.59 -56.91 1.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.26 -1.015 . . . . 10.0 108.26 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 51.5 p -142.5 -62.91 0.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 10.0 110.36 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 59.82 104.96 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 10.0 110.008 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -130.34 -66.01 0.79 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.122 . . . . 10.0 109.307 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -168.3 84.99 0.09 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.481 1.113 . . . . 10.0 111.013 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 103.1 1.67 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.501 1.79 . . . . 10.0 111.025 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -154.23 36.69 0.43 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 10.0 109.618 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.401 ' CE2' ' O ' ' A' ' 49' ' ' GLU . 99.0 m-85 54.38 -176.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 10.0 111.017 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -114.95 129.39 25.09 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.435 1.084 . . . . 10.0 109.325 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 81.25 2.25 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.525 1.802 . . . . 10.0 111.012 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.668 ' HB3' HG21 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -179.59 -44.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 10.0 109.308 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.1 p -52.16 -24.89 7.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 10.0 110.013 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 72.77 -65.07 0.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 10.0 110.292 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 17.1 pttt -177.32 -160.09 0.05 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 10.0 109.329 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 8.2 t-160 -49.0 99.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 10.0 109.616 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -66.74 142.67 42.42 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.571 1.17 . . . . 10.0 111.018 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 120.75 -121.78 4.97 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 111.001 -0.84 . . . . 10.0 111.001 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.514 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 18.4 Cg_endo -75.02 51.53 2.82 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.522 1.801 . . . . 10.0 111.013 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.514 ' CB ' ' O ' ' A' ' 74' ' ' PRO . 0.3 OUTLIER 163.33 42.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 10.0 109.282 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.513 ' CB ' ' O ' ' A' ' 75' ' ' LYS . 0.8 OUTLIER 154.26 127.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 10.0 109.294 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.446 ' O ' ' CG ' ' A' ' 77' ' ' GLU . 0.3 OUTLIER -103.29 1.67 33.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 10.0 110.255 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.485 ' O ' ' CG ' ' A' ' 79' ' ' ARG . 2.9 mp0 -84.1 -94.87 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 10.0 110.277 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.485 ' CG ' ' O ' ' A' ' 78' ' ' GLU . 12.0 ptt85 45.17 -167.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 10.0 110.284 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.409 ' CB ' ' O ' ' A' ' 79' ' ' ARG . 3.3 t60 81.07 2.48 1.64 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 10.0 109.568 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.668 HG21 ' HB3' ' A' ' 67' ' ' LEU . 8.6 t -115.24 -9.2 12.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 10.0 109.336 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -169.49 -68.77 0.04 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.493 1.121 . . . . 10.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.459 ' O ' HD22 ' A' ' 84' ' ' LEU . 0.7 OUTLIER -82.73 156.14 23.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 0.797 . . . . 10.0 109.308 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.459 HD22 ' O ' ' A' ' 83' ' ' ASP . 0.3 OUTLIER -137.4 -73.58 0.42 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 10.0 109.294 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -163.49 -116.56 0.38 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.48 1.113 . . . . 10.0 110.999 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 43' ' ' HIS . 2.3 m120 -151.09 148.39 28.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 0.738 . . . . 10.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.447 ' CG1' ' CE2' ' A' ' 45' ' ' PHE . 7.5 m -111.17 -170.56 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.104 . . . . 10.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.422 ' HG1' ' C ' ' A' ' 87' ' ' VAL . 3.1 m -155.51 145.24 21.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 10.0 110.44 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.902 ' HB3' ' HA ' ' A' ' 40' ' ' GLU . . . -85.6 173.42 10.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 10.0 109.337 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.457 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 11.0 t0 -85.86 -96.13 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 10.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.457 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 0.1 OUTLIER -137.83 11.67 2.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 10.0 109.298 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -156.04 24.2 0.37 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 10.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.513 ' O ' ' CD2' ' A' ' 38' ' ' LEU . . . 88.28 -29.91 5.43 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.493 1.121 . . . . 10.0 111.019 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.454 HG22 ' CB ' ' A' ' 36' ' ' LYS . 16.9 t -44.3 94.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.562 0.801 . . . . 10.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.489 ' N ' ' O ' ' A' ' 93' ' ' GLY . . . -99.83 114.53 27.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 10.0 109.258 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.429 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 4.6 p-10 -91.16 148.36 22.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.138 . . . . 10.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 22.0 t -118.44 153.97 20.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 10.0 109.307 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 65.9 p -176.26 89.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 10.0 110.031 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.466 HG22 ' H ' ' A' ' 100' ' ' GLU . 1.1 mt -142.58 172.86 7.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 10.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.466 ' H ' HG22 ' A' ' 99' ' ' ILE . 4.1 mp0 -133.34 102.93 5.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 10.0 110.254 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.451 ' O ' ' HA ' ' A' ' 28' ' ' PRO . 25.7 m-20 -84.96 102.73 13.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 10.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.618 ' O ' HG23 ' A' ' 103' ' ' VAL . 53.5 p -88.9 63.02 6.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 10.0 109.989 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 102' ' ' SER . 47.7 t -158.92 -65.05 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 10.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.92 HD13 HG21 ' A' ' 112' ' ' ILE . 1.5 pp -78.1 168.17 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 10.0 109.328 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 48.5 m -161.52 161.68 30.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 10.0 109.964 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.637 HD23 HD11 ' A' ' 113' ' ' ILE . 1.1 mt -61.46 -39.21 90.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 10.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 79.9 p -129.75 -171.37 2.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 10.0 110.042 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 93.41 -140.56 15.12 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.482 1.114 . . . . 10.0 111.01 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -98.69 28.03 4.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 0.749 . . . . 10.0 109.32 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.43 ' CE1' ' O ' ' A' ' 103' ' ' VAL . 72.7 m80 -125.07 -70.13 0.76 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 10.0 109.598 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 10.6 p 60.8 94.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 10.0 110.022 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.92 HG21 HD13 ' A' ' 104' ' ' ILE . 10.4 pt -90.48 -14.22 8.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 10.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.637 HD11 HD23 ' A' ' 106' ' ' LEU . 34.4 mm -50.78 109.12 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 10.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 112.34 34.4 1.95 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.534 1.146 . . . . 10.0 111.048 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.426 ' CG ' ' O ' ' A' ' 112' ' ' ILE . 4.8 mmm180 -111.74 82.16 1.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 0.772 . . . . 10.0 110.3 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.615 HG23 ' HA ' ' A' ' 146' ' ' CYS . 3.0 m -41.46 111.83 0.26 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 10.0 110.388 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.616 HD21 ' CZ ' ' A' ' 20' ' ' PHE . 0.8 OUTLIER -76.97 85.89 3.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 10.0 109.318 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.599 HG11 ' CG ' ' A' ' 143' ' ' ARG . 17.2 t -79.64 156.76 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 10.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.53 HG12 ' N ' ' A' ' 120' ' ' HIS . 21.9 t -97.74 -121.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 10.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.59 ' ND1' ' CG ' ' A' ' 43' ' ' HIS . 0.0 OUTLIER -155.96 124.65 5.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 10.0 109.635 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.56 ' HA ' HD11 ' A' ' 144' ' ' LEU . 0.8 OUTLIER -66.1 -18.88 65.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 10.0 110.26 -179.935 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -179.1 -171.87 0.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 10.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -91.19 122.05 33.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 10.0 109.286 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -67.58 -10.77 54.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 10.0 109.311 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 53.15 32.39 13.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 10.0 109.287 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 15.8 mt 55.36 19.19 2.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 10.0 109.333 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 97.32 127.35 5.62 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.524 1.14 . . . . 10.0 110.994 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 5.2 mttp -72.01 -71.96 0.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 0.773 . . . . 10.0 109.31 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -144.92 29.84 1.82 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.47 1.107 . . . . 10.0 110.979 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 64.21 107.14 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 N-CA-C 111.021 -0.832 . . . . 10.0 111.021 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . 0.565 ' O ' ' N ' ' A' ' 135' ' ' THR . 0.3 OUTLIER -144.49 153.39 41.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 0.755 . . . . 10.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 131' ' ' ASN . 4.0 mt-10 -38.1 -28.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 10.0 110.324 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . 0.48 ' N ' ' O ' ' A' ' 131' ' ' ASN . 0.0 OUTLIER -89.94 -46.76 8.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 10.0 110.312 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . 0.461 ' O ' ' N ' ' A' ' 136' ' ' LYS . 0.1 OUTLIER -70.31 -49.43 49.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 10.0 109.999 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . 0.565 ' N ' ' O ' ' A' ' 131' ' ' ASN . 23.1 p -37.04 -31.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 10.0 110.399 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 134' ' ' SER . 0.0 OUTLIER -106.77 -39.17 5.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 10.0 109.281 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . 0.475 ' OG1' ' N ' ' A' ' 138' ' ' GLY . 33.7 p -129.46 -116.5 0.24 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 10.0 110.389 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . 0.475 ' N ' ' OG1' ' A' ' 137' ' ' THR . . . -165.35 46.04 0.28 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.537 1.148 . . . . 10.0 111.021 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 50.4 33.14 7.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 0.798 . . . . 10.0 109.282 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -151.78 26.22 0.65 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 10.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -80.37 94.48 1.5 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.516 1.135 . . . . 10.0 110.945 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . 0.473 ' CB ' ' HB2' ' A' ' 121' ' ' GLU . 0.3 OUTLIER -150.16 146.07 26.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 0.762 . . . . 10.0 109.997 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . 0.925 ' O ' HD23 ' A' ' 144' ' ' LEU . 3.7 mtp85 -94.24 135.57 35.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 10.0 110.295 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.925 HD23 ' O ' ' A' ' 143' ' ' ARG . 12.6 mt -129.03 12.37 6.14 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.459 1.099 . . . . 10.0 109.306 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . 0.464 ' HB1' HD13 ' A' ' 8' ' ' LEU . . . -166.38 161.38 16.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 10.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' CYS . . . . . 1.444 ' SG ' ' SG ' ' A' ' 57' ' ' CYS . 21.5 p -153.89 65.48 0.72 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 10.0 108.313 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -59.99 -41.59 97.98 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.53 1.144 . . . . 10.0 110.985 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 3.1 t 63.56 145.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.523 0.778 . . . . 10.0 109.254 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' ILE . . . . . 0.909 HG23 ' HB1' ' A' ' 4' ' ' ALA . 47.3 mm -84.54 127.41 39.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.11 . . . . 10.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -135.39 111.17 0.88 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.461 1.101 . . . . 10.0 111.054 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . 0.818 HG23 HG21 ' A' ' 2' ' ' THR . 11.5 mm -41.22 132.75 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.522 0.778 . . . . 10.0 109.359 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . 0.605 ' HB3' ' O ' ' A' ' 3' ' ' LYS . . . -90.94 170.41 10.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 10.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 10.0 110.313 179.998 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.457 ' H1 ' ' HA ' ' A' ' 23' ' ' LYS . . . . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.291 -0.633 . . . . 10.0 109.291 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.81 HG22 HG23 ' A' ' 151' ' ' ILE . 1.3 m -85.95 110.32 19.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 10.0 110.376 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -97.51 110.13 22.75 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.131 . . . . 10.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.841 ' HB3' ' HB2' ' A' ' 20' ' ' PHE . . . -88.95 157.69 18.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 10.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.8 t -130.95 153.42 39.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 10.0 109.262 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.909 ' HB2' ' HA ' ' A' ' 149' ' ' ILE . . . -155.66 89.71 1.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 10.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.564 HG12 HG12 ' A' ' 17' ' ' ILE . 10.6 m -83.82 109.21 17.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.42 1.075 . . . . 10.0 109.31 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.486 ' HB2' ' N ' ' A' ' 16' ' ' GLY . 0.7 OUTLIER -55.17 144.0 25.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 10.0 109.272 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.608 ' H ' ' HB1' ' A' ' 145' ' ' ALA . 1.4 tttt -171.95 142.47 1.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 10.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 11' ' ' ASP . . . 168.79 -95.77 0.11 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.527 1.142 . . . . 10.0 111.002 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 10' ' ' GLY . 39.9 t0 -40.28 -49.96 2.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 0.767 . . . . 10.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.442 ' N ' ' CD ' ' A' ' 13' ' ' PRO . . . 142.64 -53.7 0.61 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.478 1.111 . . . . 10.0 111.061 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.442 ' CD ' ' N ' ' A' ' 12' ' ' GLY . 18.5 Cg_endo -75.01 -21.86 15.4 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.525 1.802 . . . . 10.0 111.061 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.2 t -83.2 99.3 5.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 10.0 109.271 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.76 31.32 5.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 10.0 110.29 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.486 ' N ' ' HB2' ' A' ' 8' ' ' LEU . . . -42.85 162.8 0.03 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.455 1.097 . . . . 10.0 110.971 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.564 HG12 HG12 ' A' ' 7' ' ' VAL . 65.6 mt -142.34 101.62 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.558 0.799 . . . . 10.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.507 HG23 ' HB3' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -117.29 149.58 19.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 10.0 109.28 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.417 ' N ' HG12 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -132.96 162.45 31.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.11 . . . . 10.0 109.278 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.841 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 1.8 m-85 -129.92 106.59 8.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 10.0 111.009 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -103.72 145.19 30.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 10.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 1' ' ' ALA . 20.7 tt0 -147.26 84.63 1.58 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 10.0 110.32 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.457 ' HA ' ' H1 ' ' A' ' 1' ' ' ALA . 11.0 mtmt -74.73 57.45 0.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 10.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.492 ' O ' ' CB ' ' A' ' 25' ' ' SER . 0.0 OUTLIER -155.96 -45.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 10.0 110.282 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 0.4 OUTLIER 84.49 -11.5 0.81 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.569 1.168 . . . . 10.0 110.04 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 33.0 p-10 -158.92 27.39 0.22 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 10.0 109.285 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -127.59 -147.47 6.63 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.507 1.13 . . . . 10.0 110.995 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.447 ' HA ' ' O ' ' A' ' 101' ' ' ASP . 18.3 Cg_endo -75.01 150.93 38.84 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.525 1.803 . . . . 10.0 111.041 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.8 t -111.68 110.32 31.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 10.0 109.332 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.2 mttm -69.53 95.55 0.84 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 10.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.795 HG13 ' CE1' ' A' ' 20' ' ' PHE . 70.4 t -87.37 134.21 28.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 10.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -164.32 155.96 16.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 10.0 107.973 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.443 ' O ' ' HA ' ' A' ' 96' ' ' ASP . . . 178.79 -169.84 41.47 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.529 1.143 . . . . 10.0 111.011 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 26.5 p -157.27 122.29 4.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 0.756 . . . . 10.0 109.977 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.788 HD13 ' CZ ' ' A' ' 45' ' ' PHE . 0.1 OUTLIER -83.34 166.34 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 10.0 109.227 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.51 ' N ' HG23 ' A' ' 35' ' ' ILE . 32.7 mttt -156.28 115.14 3.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 10.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 138.79 -47.86 0.9 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.513 1.133 . . . . 10.0 110.969 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.908 HD22 ' ND1' ' A' ' 43' ' ' HIS . 0.4 OUTLIER -54.1 -170.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 0.791 . . . . 10.0 109.301 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 40' ' ' GLU . 36.0 p -135.89 143.77 45.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 10.0 110.416 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.754 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -38.06 124.39 1.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 10.0 110.267 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.532 ' O ' ' CD2' ' A' ' 43' ' ' HIS . . . 147.4 169.3 14.66 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.493 1.121 . . . . 10.0 110.972 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.759 ' O ' ' HB2' ' A' ' 123' ' ' ALA . 0.3 OUTLIER -70.19 127.55 33.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 0.747 . . . . 10.0 109.307 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.908 ' ND1' HD22 ' A' ' 38' ' ' LEU . 21.1 m170 -112.08 175.28 5.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 10.0 109.594 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -120.03 81.39 0.33 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.482 1.114 . . . . 10.0 111.012 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.819 ' HB3' HD12 ' A' ' 117' ' ' LEU . 9.1 m-30 -89.78 136.3 33.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 0.755 . . . . 10.0 110.969 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.541 ' CE1' ' NE2' ' A' ' 120' ' ' HIS . 15.9 p80 172.79 175.45 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 10.0 109.625 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.564 ' HB ' ' CE2' ' A' ' 64' ' ' PHE . 58.0 t -71.41 165.31 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 10.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.679 ' HB3' HG21 ' A' ' 118' ' ' VAL . 0.1 OUTLIER -153.27 114.52 4.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 10.0 109.605 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -175.37 155.45 1.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 10.0 110.291 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.2 pm0 -112.04 -24.16 10.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 10.0 110.273 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 179.63 -157.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 10.0 110.3 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -132.12 76.69 1.72 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.125 . . . . 10.0 109.329 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -144.23 17.01 1.72 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 10.0 109.292 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.668 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 1.4 t -149.74 -55.66 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 10.0 110.441 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.668 ' HB2' ' O ' ' A' ' 54' ' ' THR . . . 164.89 -92.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 10.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.438 ' O ' ' CB ' ' A' ' 57' ' ' CYS . . . 175.67 66.88 0.06 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.515 1.135 . . . . 10.0 111.025 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 1.289 ' SG ' ' SG ' ' A' ' 146' ' ' CYS . 0.4 OUTLIER 164.38 92.23 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.273 -1.01 . . . . 10.0 108.273 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 67.8 p -121.44 -139.06 0.33 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.12 . . . . 10.0 110.384 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -159.23 96.39 1.31 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 10.0 110.02 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -167.68 -76.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 10.0 109.302 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 129.34 78.91 0.22 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.501 1.126 . . . . 10.0 110.963 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -173.09 1.44 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.508 1.793 . . . . 10.0 110.996 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.415 ' O ' ' CB ' ' A' ' 64' ' ' PHE . 2.9 p80 -133.9 12.89 3.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 10.0 109.652 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.564 ' CE2' ' HB ' ' A' ' 47' ' ' VAL . 0.1 OUTLIER 70.27 -158.78 0.15 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 10.0 110.968 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.576 ' OD1' HG11 ' A' ' 81' ' ' VAL . 21.1 p-10 -86.92 159.49 51.57 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 10.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 87.23 1.35 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.465 1.771 . . . . 10.0 111.013 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.537 ' HB3' HG21 ' A' ' 81' ' ' VAL . 0.3 OUTLIER -175.39 -38.36 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 10.0 109.327 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 70' ' ' LYS . 5.3 p -49.06 -20.85 0.6 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.412 1.07 . . . . 10.0 109.987 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.413 ' N ' ' C ' ' A' ' 67' ' ' LEU . 0.6 OUTLIER 68.96 -60.84 0.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 10.0 110.288 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 68' ' ' SER . 0.3 OUTLIER 70.89 -175.28 0.18 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 10.0 109.277 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.503 ' CG ' ' O ' ' A' ' 71' ' ' HIS . 14.0 t-160 56.75 41.72 27.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 10.0 109.592 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -140.54 -144.18 4.43 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.52 1.137 . . . . 10.0 111.003 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -166.84 -125.17 0.76 Allowed Glycine 0 CA--C 1.531 1.035 0 N-CA-C 111.019 -0.832 . . . . 10.0 111.019 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.501 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 18.4 Cg_endo -74.97 57.04 4.42 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.487 1.783 . . . . 10.0 111.017 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.501 ' CB ' ' O ' ' A' ' 74' ' ' PRO . 0.2 OUTLIER 87.4 46.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 10.0 109.332 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.81 -29.79 13.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 10.0 109.347 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.495 ' O ' ' CB ' ' A' ' 78' ' ' GLU . 0.3 OUTLIER -125.0 7.35 7.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 10.0 110.299 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.495 ' CB ' ' O ' ' A' ' 77' ' ' GLU . 2.4 tt0 87.02 -63.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 10.0 110.29 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.469 ' CD ' ' HA ' ' A' ' 83' ' ' ASP . 1.3 ptp180 34.92 63.15 0.49 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 10.0 110.326 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -68.0 -11.99 59.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 10.0 109.617 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.586 HG12 ' N ' ' A' ' 82' ' ' GLY . 66.5 t -84.88 -97.13 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 10.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.586 ' N ' HG12 ' A' ' 81' ' ' VAL . . . -52.43 -39.34 52.32 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.434 1.084 . . . . 10.0 111.031 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.469 ' HA ' ' CD ' ' A' ' 79' ' ' ARG . 3.4 t0 38.63 -154.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 0.775 . . . . 10.0 109.321 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.445 ' HG ' HD11 ' A' ' 117' ' ' LEU . 0.2 OUTLIER 75.72 -79.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 10.0 109.294 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 105.23 -113.89 4.44 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.519 1.137 . . . . 10.0 110.998 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.452 ' N ' ' OD1' ' A' ' 86' ' ' ASN . 0.2 OUTLIER -125.55 144.18 50.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 0.763 . . . . 10.0 109.304 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.452 HG12 ' N ' ' A' ' 88' ' ' THR . 39.0 t -115.17 164.67 11.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 10.0 109.312 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.452 ' N ' HG12 ' A' ' 87' ' ' VAL . 3.2 m -123.34 139.36 54.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 10.0 110.407 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.754 ' HB3' ' HA ' ' A' ' 40' ' ' GLU . . . -84.96 174.88 9.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 10.0 109.345 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.451 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 13.2 t0 -85.27 -97.08 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 10.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.451 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 8.7 pttt -137.7 11.84 2.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 10.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -155.2 24.88 0.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 10.0 109.292 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.485 ' CA ' ' HB1' ' A' ' 89' ' ' ALA . . . 89.76 -33.06 4.54 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.474 1.109 . . . . 10.0 111.046 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.516 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 23.4 t -40.16 101.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.459 0.74 . . . . 10.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -106.86 118.18 36.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 10.0 109.266 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.443 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 0.9 OUTLIER -110.3 147.32 34.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 10.0 109.287 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.477 HG12 ' N ' ' A' ' 98' ' ' SER . 61.7 t -125.27 164.29 24.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 10.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.477 ' N ' HG12 ' A' ' 97' ' ' VAL . 24.5 p -172.31 92.54 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 10.0 110.007 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 7.5 mt -132.07 150.67 33.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 10.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -132.29 89.89 2.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 10.0 110.303 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.447 ' O ' ' HA ' ' A' ' 28' ' ' PRO . 0.3 OUTLIER -100.68 143.29 31.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 10.0 109.29 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.426 ' CA ' ' HB3' ' A' ' 28' ' ' PRO . 6.4 p -114.25 62.97 0.66 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 10.0 110.027 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 70.7 t -145.24 -51.58 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 10.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.494 ' CG1' HG21 ' A' ' 112' ' ' ILE . 0.1 OUTLIER -61.53 177.98 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 10.0 109.29 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 47.3 t -158.64 151.53 22.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 10.0 109.983 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.632 HD23 HD11 ' A' ' 151' ' ' ILE . 1.6 mp -66.56 -42.51 86.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 10.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 52.1 m -146.59 102.75 3.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.142 . . . . 10.0 109.984 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -176.05 -140.86 3.62 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.554 1.158 . . . . 10.0 111.001 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.91 -45.75 56.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 0.751 . . . . 10.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 8.4 m80 -101.51 50.93 0.85 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 10.0 109.553 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 5.0 t -51.96 123.01 9.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 10.0 110.005 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.565 HD13 ' CE2' ' A' ' 20' ' ' PHE . 2.2 pp -87.21 -25.55 6.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 10.0 109.341 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.586 HD11 HG12 ' A' ' 151' ' ' ILE . 12.1 mm -51.16 146.26 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 10.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 85.25 -12.77 57.57 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.511 1.132 . . . . 10.0 111.018 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.747 ' O ' HD12 ' A' ' 149' ' ' ILE . 8.4 ptm180 -83.93 131.7 34.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 0.759 . . . . 10.0 110.284 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.456 HG23 HG23 ' A' ' 118' ' ' VAL . 0.0 OUTLIER -128.05 153.63 46.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 10.0 110.425 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.819 HD12 ' HB3' ' A' ' 45' ' ' PHE . 4.5 mm? -94.45 58.89 2.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 10.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.703 HG13 ' O ' ' A' ' 145' ' ' ALA . 16.1 t -53.21 124.07 5.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 10.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 1.034 HG23 HD12 ' A' ' 144' ' ' LEU . 12.4 m -75.16 -178.3 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 10.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.541 ' NE2' ' CE1' ' A' ' 46' ' ' HIS . 1.9 m-70 -141.23 157.0 45.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 10.0 109.602 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.54 -11.76 26.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 10.0 110.349 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -170.99 -168.29 0.64 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 10.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.759 ' HB2' ' O ' ' A' ' 42' ' ' LEU . . . -113.03 -176.82 2.99 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.553 1.158 . . . . 10.0 109.316 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 32.9 t0 -106.24 7.39 31.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 10.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 51.13 38.14 20.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 10.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 12.4 mt 58.34 20.45 7.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 10.0 109.328 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 113.71 120.64 3.61 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.495 1.122 . . . . 10.0 111.016 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 12.4 mttm -95.79 34.47 1.51 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 0.779 . . . . 10.0 109.346 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 90.39 -11.77 70.25 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.486 1.116 . . . . 10.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 97.76 115.44 3.4 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.96 -0.856 . . . . 10.0 110.96 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . 0.696 ' N ' HG23 ' A' ' 135' ' ' THR . 28.7 m-20 -145.82 152.81 40.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 0.753 . . . . 10.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -49.99 -19.56 0.74 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 10.0 110.284 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . 0.41 ' N ' ' C ' ' A' ' 131' ' ' ASN . 1.2 tt0 -101.32 -29.59 11.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 10.0 110.278 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 137' ' ' THR . 3.7 m -85.88 -53.08 5.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 10.0 110.038 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . 0.696 HG23 ' N ' ' A' ' 131' ' ' ASN . 74.5 p -44.6 -24.69 0.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.572 1.17 . . . . 10.0 110.404 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.447 ' HG3' ' N ' ' A' ' 137' ' ' THR . 0.1 OUTLIER -99.02 -33.16 10.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 10.0 109.278 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . 0.459 ' OG1' ' N ' ' A' ' 138' ' ' GLY . 69.8 p -146.21 -102.4 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 10.0 110.415 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . 0.459 ' N ' ' OG1' ' A' ' 137' ' ' THR . . . -169.84 39.16 0.2 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.545 1.153 . . . . 10.0 110.974 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 55.86 19.17 3.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 0.763 . . . . 10.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -144.77 26.7 1.38 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.128 . . . . 10.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . 0.51 ' HA2' ' CE1' ' A' ' 120' ' ' HIS . . . -71.12 75.64 0.62 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.528 1.143 . . . . 10.0 111.001 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.44 79.46 1.89 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 0.775 . . . . 10.0 109.995 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . 0.512 ' HB3' HG11 ' A' ' 118' ' ' VAL . 0.0 OUTLIER -43.01 165.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 10.0 110.295 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 1.034 HD12 HG23 ' A' ' 119' ' ' VAL . 21.3 mt -146.98 -76.34 0.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 10.0 109.352 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . 0.703 ' O ' HG13 ' A' ' 118' ' ' VAL . . . -98.01 168.12 10.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 10.0 109.282 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' CYS . . . . . 1.289 ' SG ' ' SG ' ' A' ' 57' ' ' CYS . 2.6 p -155.68 67.1 0.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 10.0 108.322 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . 0.542 ' O ' ' HB ' ' A' ' 148' ' ' VAL . . . -45.57 -68.41 1.01 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.523 1.139 . . . . 10.0 111.013 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.85 HG23 ' O ' ' A' ' 146' ' ' CYS . 15.2 t 85.27 100.01 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 0.772 . . . . 10.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' ILE . . . . . 0.909 ' HA ' ' HB2' ' A' ' 6' ' ' ALA . 2.7 mp -58.53 121.63 6.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 10.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -130.43 138.05 9.93 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.49 1.119 . . . . 10.0 111.037 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . 0.81 HG23 HG22 ' A' ' 2' ' ' THR . 29.6 mm -54.11 149.99 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.53 0.782 . . . . 10.0 109.351 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -149.57 175.05 11.87 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.526 1.141 . . . . 10.0 109.326 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 10.0 110.309 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.267 -0.642 . . . . 10.0 109.267 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.692 HG23 ' CD1' ' A' ' 151' ' ' ILE . 0.3 OUTLIER -128.63 131.3 48.08 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.515 1.134 . . . . 10.0 110.374 179.997 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -125.03 104.26 8.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 10.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 1.014 ' HB1' HG23 ' A' ' 149' ' ' ILE . . . -85.67 152.7 22.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 10.0 109.337 179.956 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.421 ' O ' ' HA ' ' A' ' 149' ' ' ILE . 7.0 t -128.71 160.4 39.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 10.0 109.335 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.814 ' HB3' HG23 ' A' ' 18' ' ' ILE . . . -154.18 87.76 1.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 10.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' ' 7' ' ' VAL . 19.1 m -83.7 79.17 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 10.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 1.023 HD12 ' HA3' ' A' ' 147' ' ' GLY . 3.4 mp -42.46 126.76 3.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 10.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.35 -82.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 10.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.66 ' HA2' ' HB2' ' A' ' 145' ' ' ALA . . . 113.13 121.9 3.85 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.498 1.124 . . . . 10.0 110.966 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.43 ' HB2' HD23 ' A' ' 144' ' ' LEU . 9.7 t0 -53.85 -25.93 22.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 0.771 . . . . 10.0 109.259 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -150.1 -98.77 0.19 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.554 1.159 . . . . 10.0 111.016 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 14' ' ' VAL . 18.5 Cg_endo -74.95 -33.39 4.69 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.479 1.779 . . . . 10.0 110.993 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.435 ' HB ' ' CA ' ' A' ' 10' ' ' GLY . 52.8 t -39.81 144.79 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 10.0 109.29 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 174.26 76.85 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 10.0 110.262 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.48 ' CA ' ' HA ' ' A' ' 35' ' ' ILE . . . -92.26 159.95 25.56 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.506 1.129 . . . . 10.0 110.961 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 35.9 mt -129.82 97.57 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.505 0.768 . . . . 10.0 109.274 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.814 HG23 ' HB3' ' A' ' 6' ' ' ALA . 0.1 OUTLIER -108.97 132.03 58.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 10.0 109.278 179.992 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.742 ' N ' HD12 ' A' ' 18' ' ' ILE . 0.2 OUTLIER -124.58 143.29 50.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.158 . . . . 10.0 109.254 -179.989 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.972 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 5.5 m-85 -111.09 118.96 37.44 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.528 1.143 . . . . 10.0 111.014 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -109.48 133.22 53.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 10.0 110.277 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.513 ' HB2' HG13 ' A' ' 29' ' ' VAL . 51.8 tt0 -143.57 102.22 3.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.576 1.173 . . . . 10.0 110.242 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.36 35.12 0.93 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 10.0 109.269 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -156.69 150.86 25.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 10.0 110.312 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 21.7 m -89.26 -3.82 58.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 10.0 109.956 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 14.3 p30 -165.87 32.68 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 10.0 109.331 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -113.24 -155.75 11.95 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.498 1.124 . . . . 10.0 111.032 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.438 ' HA ' ' O ' ' A' ' 101' ' ' ASP . 18.4 Cg_endo -74.99 165.97 30.21 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.489 1.784 . . . . 10.0 111.001 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.615 HG11 HD11 ' A' ' 106' ' ' LEU . 14.0 t -131.24 102.36 6.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 10.0 109.281 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.2 mttt -64.35 95.3 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 10.0 109.318 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.474 HG22 ' CD2' ' A' ' 20' ' ' PHE . 72.8 t -96.74 125.17 49.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 10.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.42 ' HA ' ' O ' ' A' ' 97' ' ' VAL . 7.7 p90 -153.21 149.46 28.0 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.013 -1.106 . . . . 10.0 108.013 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.45 ' O ' ' HA ' ' A' ' 96' ' ' ASP . . . -166.99 -173.35 35.2 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.504 1.127 . . . . 10.0 110.995 179.924 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 58.3 p -157.77 118.37 3.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.44 0.729 . . . . 10.0 109.985 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.655 ' HB ' ' HB3' ' A' ' 95' ' ' ALA . 0.2 OUTLIER -84.6 163.51 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 10.0 109.297 -179.995 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.454 ' N ' HG23 ' A' ' 35' ' ' ILE . 34.1 mttt -149.02 105.43 3.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 10.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.451 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 138.22 -38.33 1.71 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.494 1.121 . . . . 10.0 111.01 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.765 HD12 ' CG ' ' A' ' 43' ' ' HIS . 0.3 OUTLIER -53.91 -168.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 0.763 . . . . 10.0 109.294 179.969 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.423 ' O ' ' C ' ' A' ' 40' ' ' GLU . 11.3 p -151.85 145.34 24.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 10.0 110.406 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.664 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 2.4 tt0 -36.88 115.1 0.35 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 10.0 110.32 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.44 ' O ' ' NE2' ' A' ' 43' ' ' HIS . . . 143.16 168.55 12.04 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.522 1.139 . . . . 10.0 111.0 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 1.019 HD23 ' CG ' ' A' ' 86' ' ' ASN . 4.2 mp -66.52 156.79 33.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 0.741 . . . . 10.0 109.244 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.765 ' CG ' HD12 ' A' ' 38' ' ' LEU . 9.6 m80 -140.14 77.69 1.62 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 10.0 109.614 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 43' ' ' HIS . . . 34.64 -143.14 0.07 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.432 1.082 . . . . 10.0 110.997 -179.952 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.421 ' O ' ' O ' ' A' ' 46' ' ' HIS . 18.0 m-85 -141.44 112.46 7.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 0.758 . . . . 10.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.587 ' HD1' HG23 ' A' ' 47' ' ' VAL . 10.3 p80 -46.19 172.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 10.0 109.574 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.587 HG23 ' HD1' ' A' ' 46' ' ' HIS . 75.3 t 66.2 135.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 10.0 109.291 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.469 ' NE2' HG21 ' A' ' 116' ' ' THR . 0.0 OUTLIER -131.21 174.56 9.92 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.142 . . . . 10.0 109.636 179.997 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -39.94 -39.52 0.86 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 10.0 110.299 -179.969 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 61.91 133.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 10.0 110.272 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -179.04 -169.84 0.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 10.0 110.301 -179.965 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.492 ' O ' ' CB ' ' A' ' 53' ' ' ASN . 18.2 t70 -94.32 102.74 14.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 10.0 109.284 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.492 ' CB ' ' O ' ' A' ' 52' ' ' ASP . 6.9 m-20 155.93 66.08 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 10.0 109.268 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.527 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 4.0 t -155.13 -46.09 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 10.0 110.371 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.527 ' HB3' ' O ' ' A' ' 54' ' ' THR . . . 72.68 -58.27 0.6 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 10.0 109.317 -179.953 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -132.3 -70.05 0.09 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.492 1.12 . . . . 10.0 110.99 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -168.21 91.19 0.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.342 -0.984 . . . . 10.0 108.342 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.47 HG23 ' O ' ' A' ' 54' ' ' THR . 59.0 p -105.39 -147.36 0.39 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 10.0 110.388 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 26.2 m -160.76 105.22 1.39 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 10.0 109.989 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -111.02 -77.35 0.59 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 10.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.527 ' O ' ' CE1' ' A' ' 63' ' ' HIS . . . 164.76 84.53 0.05 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.511 1.132 . . . . 10.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 134.25 17.49 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.467 1.772 . . . . 10.0 110.973 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.527 ' CE1' ' O ' ' A' ' 61' ' ' GLY . 4.3 m80 -126.48 23.86 6.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 10.0 109.627 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.528 ' CD1' HG11 ' A' ' 81' ' ' VAL . 31.0 m-85 51.95 172.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 10.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.5 ' OD1' HG23 ' A' ' 81' ' ' VAL . 1.2 p-10 -88.32 158.76 48.72 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 10.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 83.72 1.78 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.48 1.779 . . . . 10.0 110.953 -179.965 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.656 HD12 ' CG ' ' A' ' 80' ' ' HIS . 0.1 OUTLIER -171.11 -47.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 10.0 109.284 179.975 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.498 ' O ' ' CB ' ' A' ' 69' ' ' ARG . 0.3 OUTLIER -66.14 -42.27 89.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 10.0 109.959 179.986 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.498 ' CB ' ' O ' ' A' ' 68' ' ' SER . 0.0 OUTLIER 84.47 -45.46 0.09 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.118 . . . . 10.0 110.317 -179.978 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.472 ' CB ' ' O ' ' A' ' 69' ' ' ARG . 0.3 OUTLIER 85.26 -164.69 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 10.0 109.288 -179.987 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.468 ' CE1' ' HD2' ' A' ' 69' ' ' ARG . 9.5 p80 37.66 39.33 0.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 10.0 109.588 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.498 ' CA ' ' HB3' ' A' ' 76' ' ' ASP . . . -130.11 -163.81 11.18 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.537 1.148 . . . . 10.0 110.965 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 118.9 -86.96 0.41 Allowed Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.96 -0.856 . . . . 10.0 110.96 179.949 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -19.73 17.43 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.473 1.775 . . . . 10.0 111.009 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.52 47.09 2.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 10.0 109.337 179.923 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.498 ' HB3' ' CA ' ' A' ' 72' ' ' GLY . 5.4 t70 169.74 129.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 10.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.477 ' O ' ' CG ' ' A' ' 77' ' ' GLU . 11.3 tt0 -105.25 -2.1 24.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 10.0 110.28 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.414 ' O ' ' O ' ' A' ' 77' ' ' GLU . 0.8 OUTLIER -44.61 -96.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 10.0 110.324 179.986 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.428 ' O ' ' ND1' ' A' ' 80' ' ' HIS . 33.3 mmt180 54.14 168.89 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 10.0 110.307 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.656 ' CG ' HD12 ' A' ' 67' ' ' LEU . 0.1 OUTLIER 168.06 -31.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 10.0 109.6 -179.965 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.528 HG11 ' CD1' ' A' ' 64' ' ' PHE . 8.4 p -75.76 -47.67 32.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 10.0 109.337 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.444 ' N ' HG13 ' A' ' 81' ' ' VAL . . . -124.34 -44.62 0.29 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.479 1.112 . . . . 10.0 110.984 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 82' ' ' GLY . 11.2 t70 39.11 87.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 0.789 . . . . 10.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.44 HD22 ' HA ' ' A' ' 84' ' ' LEU . 0.2 OUTLIER -167.17 -55.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 10.0 109.309 179.981 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 120.76 -174.51 15.78 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.47 1.106 . . . . 10.0 110.991 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 1.019 ' CG ' HD23 ' A' ' 42' ' ' LEU . 2.8 p-10 -84.38 130.29 34.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 0.783 . . . . 10.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.521 HG23 ' HB2' ' A' ' 43' ' ' HIS . 24.9 m -84.32 128.33 38.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.154 . . . . 10.0 109.285 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.4 ' HA ' ' O ' ' A' ' 41' ' ' GLY . 15.6 m -110.37 153.54 24.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 10.0 110.421 179.928 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.664 ' HB3' ' HA ' ' A' ' 40' ' ' GLU . . . -84.56 175.26 9.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 10.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.429 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 11.1 t0 -84.83 -97.09 0.06 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 10.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.429 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 37.2 pttt -134.21 7.09 3.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 10.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -156.55 24.71 0.34 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 10.0 109.298 -179.939 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.624 ' CA ' ' HB1' ' A' ' 89' ' ' ALA . . . 96.8 -42.29 2.22 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.516 1.135 . . . . 10.0 110.962 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.474 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 20.7 t -40.64 98.61 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.489 0.758 . . . . 10.0 109.307 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.655 ' HB3' ' HB ' ' A' ' 35' ' ' ILE . . . -95.89 111.35 23.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 10.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.45 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 2.0 t70 -99.64 155.26 17.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 10.0 109.254 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.461 HG13 HD12 ' A' ' 99' ' ' ILE . 72.5 t -131.23 153.58 39.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 10.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 80.0 p -174.45 88.06 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 10.0 110.01 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.504 HG22 ' N ' ' A' ' 100' ' ' GLU . 2.7 mp -135.72 165.45 29.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 10.0 109.256 -179.953 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.504 ' N ' HG22 ' A' ' 99' ' ' ILE . 0.0 OUTLIER -125.49 94.58 4.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 10.0 110.352 179.975 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.438 ' O ' ' HA ' ' A' ' 28' ' ' PRO . 3.1 m-20 -94.5 132.99 38.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 10.0 109.299 -179.964 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 21.9 p -123.26 -45.89 2.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 10.0 109.984 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 89.6 t -45.43 -43.67 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 10.0 109.342 179.951 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.747 HD12 ' C ' ' A' ' 104' ' ' ILE . 1.8 pp -71.32 178.1 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.102 . . . . 10.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.612 ' O ' HG23 ' A' ' 112' ' ' ILE . 0.4 OUTLIER -154.82 146.96 23.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 10.0 110.016 179.99 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.988 HD23 HD11 ' A' ' 113' ' ' ILE . 4.0 mp -77.32 -36.95 53.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.09 . . . . 10.0 109.261 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -151.94 68.84 0.89 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 10.0 109.978 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -139.37 -115.92 1.32 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.552 1.157 . . . . 10.0 111.002 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.87 -8.48 21.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 0.766 . . . . 10.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 68.4 m80 -105.45 -50.73 3.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 10.0 109.63 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.2 t 54.03 92.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 10.0 109.985 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.612 HG23 ' O ' ' A' ' 105' ' ' SER . 0.7 OUTLIER -103.01 -8.03 9.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 10.0 109.245 -179.962 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.988 HD11 HD23 ' A' ' 106' ' ' LEU . 11.2 mm -49.21 116.41 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 10.0 109.307 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 100.48 42.09 2.61 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.475 1.11 . . . . 10.0 110.981 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.671 HH22 HG21 ' A' ' 104' ' ' ILE . 2.6 mtt180 -84.25 83.43 7.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 0.773 . . . . 10.0 110.298 -179.973 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.876 HG23 HG22 ' A' ' 148' ' ' VAL . 0.4 OUTLIER -42.34 94.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 10.0 110.374 -179.988 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.541 ' O ' HD21 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -81.79 69.49 8.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 10.0 109.299 179.993 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.881 HG12 ' HA ' ' A' ' 146' ' ' CYS . 2.7 m -101.25 175.99 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 10.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.705 HG21 HD21 ' A' ' 38' ' ' LEU . 10.5 m -142.76 149.45 18.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 10.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.494 ' CE1' ' CA ' ' A' ' 141' ' ' GLY . 3.9 m-70 -86.11 168.63 13.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 10.0 109.626 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -90.66 20.56 4.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.169 . . . . 10.0 110.316 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.595 ' HB3' ' HB1' ' A' ' 140' ' ' ALA . 0.0 OUTLIER -177.75 155.56 1.03 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 10.0 109.264 179.989 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.683 ' HB1' ' HB2' ' A' ' 42' ' ' LEU . . . -69.32 155.23 40.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 10.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.522 ' O ' ' CB ' ' A' ' 125' ' ' ASP . 0.2 OUTLIER -45.91 -91.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 10.0 109.284 -179.994 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . 0.522 ' CB ' ' O ' ' A' ' 124' ' ' ASP . 3.9 m-20 154.49 -24.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 10.0 109.336 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.1 mt 52.34 21.86 1.84 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 10.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -99.45 75.86 0.49 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.493 1.12 . . . . 10.0 110.996 -180.0 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.437 ' CG ' ' HB2' ' A' ' 71' ' ' HIS . 0.1 OUTLIER -52.7 -24.72 9.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 0.756 . . . . 10.0 109.339 179.983 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -41.22 -48.45 4.5 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.469 1.106 . . . . 10.0 111.031 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -55.85 -172.46 0.13 Allowed Glycine 0 CA--C 1.531 1.033 0 N-CA-C 110.967 -0.853 . . . . 10.0 110.967 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . 0.447 ' O ' ' N ' ' A' ' 133' ' ' GLN . 68.8 m-80 -153.77 139.7 18.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 0.779 . . . . 10.0 109.245 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 131' ' ' ASN . 2.0 mp0 38.17 30.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 10.0 110.292 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 131' ' ' ASN . 0.0 OUTLIER -140.98 -72.97 0.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 10.0 110.323 179.959 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . 0.485 ' HA ' ' CA ' ' A' ' 138' ' ' GLY . 23.6 p -95.47 -12.58 25.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 10.0 109.996 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 19.0 p -79.99 -9.59 59.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 10.0 110.384 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.38 -37.66 3.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 10.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 45.8 p -126.81 -77.84 0.58 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.122 . . . . 10.0 110.434 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . 0.485 ' CA ' ' HA ' ' A' ' 134' ' ' SER . . . 156.73 43.94 0.02 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.472 1.108 . . . . 10.0 110.987 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 53.1 t-20 40.25 31.07 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 0.767 . . . . 10.0 109.306 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.595 ' HB1' ' HB3' ' A' ' 122' ' ' LYS . . . -162.96 52.45 0.18 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 10.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . 0.494 ' CA ' ' CE1' ' A' ' 120' ' ' HIS . . . -102.23 88.66 0.69 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.468 1.105 . . . . 10.0 110.987 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 143' ' ' ARG . 0.2 OUTLIER -125.76 76.91 1.62 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 0.758 . . . . 10.0 110.042 179.974 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . 0.431 ' NH1' ' HB2' ' A' ' 143' ' ' ARG . 0.0 OUTLIER -37.88 155.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 10.0 110.319 -179.971 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.43 HD23 ' HB2' ' A' ' 11' ' ' ASP . 2.2 mt -132.66 -86.33 0.46 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 10.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . 0.66 ' HB2' ' HA2' ' A' ' 10' ' ' GLY . . . -77.88 169.77 17.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 10.0 109.272 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 146' ' ' CYS . . . . . 0.881 ' HA ' HG12 ' A' ' 118' ' ' VAL . 0.8 OUTLIER -156.91 70.35 0.63 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 10.0 108.273 -179.975 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . 1.023 ' HA3' HD12 ' A' ' 8' ' ' LEU . . . -68.95 -58.42 6.81 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.517 1.136 . . . . 10.0 110.967 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.876 HG22 HG23 ' A' ' 116' ' ' THR . 58.1 t 68.46 151.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 0.749 . . . . 10.0 109.314 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 149' ' ' ILE . . . . . 1.014 HG23 ' HB1' ' A' ' 4' ' ' ALA . 0.8 OUTLIER -87.84 137.47 20.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 10.0 109.281 -179.992 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 151' ' ' ILE . . . -147.5 111.31 0.55 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.478 1.111 . . . . 10.0 110.998 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . 0.692 ' CD1' HG23 ' A' ' 2' ' ' THR . 16.4 mm -38.48 141.39 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.535 0.785 . . . . 10.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -144.13 162.1 37.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 10.0 109.29 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 10.0 110.296 -179.975 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.634 ' HB1' ' HA ' ' A' ' 23' ' ' LYS . . . . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.28 -0.637 . . . . 10.0 109.28 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.811 HG22 HD12 ' A' ' 151' ' ' ILE . 1.7 m -113.74 110.81 20.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 10.0 110.359 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.4 ttmt -121.21 142.09 50.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 10.0 109.281 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.993 ' HB3' ' HB2' ' A' ' 20' ' ' PHE . . . -118.6 159.59 23.31 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.457 1.098 . . . . 10.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.639 HG23 ' HB3' ' A' ' 152' ' ' ALA . 2.7 t -134.88 158.27 41.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 10.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.803 ' HB1' ' O ' ' A' ' 147' ' ' GLY . . . -155.66 93.01 1.43 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 10.0 109.291 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.416 ' O ' ' C ' ' A' ' 8' ' ' LEU . 53.8 t -81.38 98.69 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 10.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.666 HD22 ' HA3' ' A' ' 147' ' ' GLY . 1.1 mm? -39.2 152.46 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 10.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.7 tttt -175.91 107.93 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 10.0 109.277 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 11' ' ' ASP . . . -153.62 -108.31 0.33 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.531 1.144 . . . . 10.0 111.031 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 10' ' ' GLY . 13.2 t0 -39.55 -60.94 0.88 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 0.745 . . . . 10.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.511 ' N ' ' CD ' ' A' ' 13' ' ' PRO . . . 160.53 -50.32 0.37 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.491 1.12 . . . . 10.0 110.986 -180.0 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.511 ' CD ' ' N ' ' A' ' 12' ' ' GLY . 18.4 Cg_endo -75.04 -42.27 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.49 1.784 . . . . 10.0 110.99 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.672 HG22 HD13 ' A' ' 38' ' ' LEU . 43.3 t -59.76 89.56 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 10.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -115.74 42.07 2.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 10.0 110.271 -179.972 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.507 ' N ' ' HB2' ' A' ' 8' ' ' LEU . . . -52.56 166.29 1.22 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.461 1.101 . . . . 10.0 111.021 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 31.1 mt -141.87 97.03 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.47 0.747 . . . . 10.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.79 ' C ' HD13 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -114.58 139.43 40.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 10.0 109.302 179.98 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.56 HD22 HG13 ' A' ' 5' ' ' VAL . 0.0 OUTLIER -134.07 163.59 29.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 10.0 109.266 -179.997 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.993 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 3.5 m-30 -114.8 130.16 56.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 10.0 110.999 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.403 ' HB2' ' CH2' ' A' ' 32' ' ' TRP . 1.1 tp10 -116.85 131.29 56.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 10.0 110.307 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.422 ' HG3' HG22 ' A' ' 29' ' ' VAL . 1.7 tt0 -155.12 71.13 0.78 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.115 . . . . 10.0 110.288 -179.959 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.634 ' HA ' ' HB1' ' A' ' 1' ' ' ALA . 34.1 mtpt -83.25 51.55 1.99 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 10.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.407 ' HB3' ' N ' ' A' ' 27' ' ' GLY . 5.2 mm-40 -155.33 141.23 18.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 10.0 110.269 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 28.8 m -81.53 -13.97 57.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 10.0 109.992 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -151.69 34.23 0.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 10.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.407 ' N ' ' HB3' ' A' ' 24' ' ' GLU . . . -113.07 177.63 18.26 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.471 1.107 . . . . 10.0 111.001 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.492 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 18.4 Cg_endo -75.0 173.15 15.0 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.527 1.804 . . . . 10.0 111.027 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.422 HG22 ' HG3' ' A' ' 22' ' ' GLN . 23.6 t -113.96 95.88 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 10.0 109.287 -179.959 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.1 mttp -65.89 90.08 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 10.0 109.335 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.818 HG22 ' CD1' ' A' ' 20' ' ' PHE . 19.7 t -88.46 130.91 37.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 10.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.403 ' CH2' ' HB2' ' A' ' 21' ' ' GLU . 6.6 p90 -151.05 160.02 44.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 10.0 108.015 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -173.25 -173.12 39.36 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.527 1.142 . . . . 10.0 111.013 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.8 p -156.44 123.05 5.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 0.735 . . . . 10.0 110.011 179.973 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 1.094 ' CG2' HD21 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -87.06 165.16 2.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 10.0 109.305 -179.99 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.488 ' N ' HG23 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -160.08 108.88 1.73 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 10.0 109.278 -180.0 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.459 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 157.92 -63.68 0.31 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.479 1.112 . . . . 10.0 111.04 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 1.094 HD21 ' CG2' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -54.68 -165.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 0.74 . . . . 10.0 109.302 179.988 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 57.7 p -134.68 160.77 37.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 10.0 110.434 179.965 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.654 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 0.8 OUTLIER -40.11 129.77 2.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 10.0 110.25 -179.97 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 136.38 173.49 12.97 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.493 1.121 . . . . 10.0 110.954 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.763 ' HB2' ' HB1' ' A' ' 123' ' ' ALA . 5.3 mp -63.68 162.27 13.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 0.756 . . . . 10.0 109.337 179.958 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.476 ' CE1' ' HB2' ' A' ' 38' ' ' LEU . 85.9 m-70 -155.09 128.07 8.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.427 1.079 . . . . 10.0 109.614 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 43' ' ' HIS . . . -37.18 154.02 0.01 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.488 1.117 . . . . 10.0 111.022 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.606 ' CD2' ' O ' ' A' ' 83' ' ' ASP . 3.9 t80 -86.14 155.98 20.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 0.766 . . . . 10.0 110.995 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.719 ' C ' HG23 ' A' ' 47' ' ' VAL . 7.5 p80 -65.28 175.21 1.76 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 10.0 109.613 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.719 HG23 ' C ' ' A' ' 46' ' ' HIS . 2.2 t 80.77 94.1 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 10.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.5 ' CG ' ' O ' ' A' ' 48' ' ' HIS . 14.6 p-80 -124.57 59.68 1.19 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 10.0 109.561 -179.948 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 174.94 170.82 0.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 10.0 110.342 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -53.04 -175.37 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.504 1.127 . . . . 10.0 110.284 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -70.35 -152.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 10.0 110.301 179.996 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.411 ' O ' ' CG ' ' A' ' 53' ' ' ASN . 4.0 p-10 -46.36 100.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 10.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.411 ' CG ' ' O ' ' A' ' 52' ' ' ASP . 1.9 m120 169.78 66.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 10.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.535 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 3.7 t -155.26 -44.33 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 10.0 110.39 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.535 ' HB3' ' O ' ' A' ' 54' ' ' THR . . . 74.22 -58.16 0.59 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 10.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.743 ' HA2' HG21 ' A' ' 148' ' ' VAL . . . -140.72 -82.12 0.07 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.529 1.143 . . . . 10.0 110.978 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -175.03 91.87 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.269 -1.011 . . . . 10.0 108.269 -179.946 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 60' ' ' ALA . 75.0 p -108.45 99.4 8.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 10.0 110.42 179.967 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.6 m -48.83 93.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 10.0 109.96 -179.962 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 58' ' ' THR . . . -130.94 -65.63 0.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 10.0 109.26 -179.985 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -144.39 66.12 0.45 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.453 1.096 . . . . 10.0 111.047 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.498 ' O ' ' CZ ' ' A' ' 143' ' ' ARG . 18.3 Cg_endo -75.0 55.12 3.85 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.499 1.789 . . . . 10.0 110.956 -179.957 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.425 ' O ' ' O ' ' A' ' 64' ' ' PHE . 55.0 p-80 -119.1 96.83 5.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 10.0 109.642 179.961 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.431 ' CE1' ' O ' ' A' ' 47' ' ' VAL . 0.6 OUTLIER -37.87 158.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 10.0 110.979 -179.974 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 7.7 p-10 -84.27 122.78 75.58 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.456 1.097 . . . . 10.0 109.312 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 54.19 3.55 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.478 1.778 . . . . 10.0 111.021 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.405 HD22 HG21 ' A' ' 81' ' ' VAL . 10.2 tt -94.21 -45.7 7.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 10.0 109.319 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.405 ' HB3' ' N ' ' A' ' 79' ' ' ARG . 0.5 OUTLIER -111.0 -45.0 3.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 10.0 110.01 179.99 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.402 ' NH2' ' O ' ' A' ' 64' ' ' PHE . 3.2 ptt180 -71.33 62.74 0.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 10.0 110.27 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.96 57.64 0.97 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 10.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.479 ' CD2' ' C ' ' A' ' 71' ' ' HIS . 0.1 OUTLIER 63.21 133.74 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 10.0 109.61 -179.988 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 156.37 -130.64 2.77 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.523 1.139 . . . . 10.0 110.972 179.944 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.465 ' O ' ' N ' ' A' ' 78' ' ' GLU . . . -124.95 133.28 8.44 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.044 -0.822 . . . . 10.0 111.044 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 76.14 3.49 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.515 1.797 . . . . 10.0 110.964 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.57 -38.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 10.0 109.278 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.455 ' HA ' ' CG ' ' A' ' 80' ' ' HIS . 0.9 OUTLIER -154.62 -43.14 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.107 . . . . 10.0 109.328 -179.99 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -83.12 11.49 6.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 10.0 110.341 179.961 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.562 ' O ' ' C ' ' A' ' 79' ' ' ARG . 0.5 OUTLIER -162.75 145.64 10.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 10.0 110.292 -179.991 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.562 ' C ' ' O ' ' A' ' 78' ' ' GLU . 0.0 OUTLIER 25.07 67.83 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 10.0 110.268 -179.983 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.455 ' CG ' ' HA ' ' A' ' 76' ' ' ASP . 81.5 t60 -125.42 3.76 7.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 10.0 109.64 179.96 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.405 HG21 HD22 ' A' ' 67' ' ' LEU . 54.4 t -129.53 88.79 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 10.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 107.58 -51.88 0.69 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.535 1.147 . . . . 10.0 110.997 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.606 ' O ' ' CD2' ' A' ' 45' ' ' PHE . 15.7 m-20 -80.25 -68.08 0.71 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 0.764 . . . . 10.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.488 ' CB ' ' O ' ' A' ' 83' ' ' ASP . 0.2 OUTLIER 87.2 -67.6 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.112 . . . . 10.0 109.326 -179.971 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.402 ' HA2' ' CZ ' ' A' ' 79' ' ' ARG . . . -146.14 -141.52 3.63 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.47 1.106 . . . . 10.0 110.997 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.414 ' ND2' ' HB2' ' A' ' 124' ' ' ASP . 0.9 OUTLIER -146.1 170.83 15.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 0.781 . . . . 10.0 109.338 179.979 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.404 ' O ' ' HA ' ' A' ' 42' ' ' LEU . 33.1 m -126.17 157.46 36.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 10.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 4.4 m -111.02 147.78 34.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 10.0 110.406 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.654 ' HB3' ' HA ' ' A' ' 40' ' ' GLU . . . -84.71 168.3 15.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 10.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.448 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 25.4 t0 -72.88 -100.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.155 . . . . 10.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.448 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 31.2 pttt -134.7 6.21 3.45 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 10.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -149.69 19.35 0.91 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 10.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.584 ' CA ' ' HB1' ' A' ' 89' ' ' ALA . . . 103.25 -46.92 1.15 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.533 1.145 . . . . 10.0 111.009 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.549 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 53.7 t -36.02 111.62 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.533 0.784 . . . . 10.0 109.311 -179.957 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -116.78 123.29 46.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 10.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -109.34 145.55 35.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 10.0 109.273 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.403 ' O ' ' HA ' ' A' ' 32' ' ' TRP . 28.7 t -120.41 160.31 21.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.148 . . . . 10.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.4 t -165.41 95.78 0.66 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 10.0 110.03 179.963 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.3 mt -121.65 148.65 24.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 10.0 109.271 -179.969 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -129.07 90.97 3.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.166 . . . . 10.0 110.287 179.981 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.492 ' O ' ' CB ' ' A' ' 28' ' ' PRO . 80.0 m-20 -105.21 148.21 27.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 10.0 109.321 179.936 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.2 p -115.86 -36.83 4.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 10.0 110.008 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 73.4 t -53.38 -48.16 57.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 10.0 109.333 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.638 HD13 HD13 ' A' ' 112' ' ' ILE . 2.8 pp -64.1 171.97 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.491 1.119 . . . . 10.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -159.81 166.01 31.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 10.0 110.015 -179.957 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.904 HD23 HD11 ' A' ' 113' ' ' ILE . 1.5 mp -77.81 -37.54 48.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 10.0 109.296 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -149.13 118.44 6.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 10.0 110.0 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 171.02 -121.5 0.91 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.516 1.135 . . . . 10.0 110.949 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -92.31 -32.63 14.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 0.775 . . . . 10.0 109.286 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 7.3 m80 -87.71 -61.23 1.76 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 10.0 109.618 -179.98 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.7 p 58.04 103.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.571 1.169 . . . . 10.0 110.013 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.696 HD12 ' CE2' ' A' ' 20' ' ' PHE . 44.1 pt -97.56 -17.69 6.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 10.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.904 HD11 HD23 ' A' ' 106' ' ' LEU . 14.6 mm -59.59 117.01 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 10.0 109.255 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 108.94 26.0 5.43 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.478 1.111 . . . . 10.0 110.992 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.602 ' O ' HD12 ' A' ' 149' ' ' ILE . 5.7 mtt180 -86.85 76.88 9.37 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 0.759 . . . . 10.0 110.329 179.999 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.521 ' OG1' HG22 ' A' ' 148' ' ' VAL . 31.0 m -45.33 93.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 10.0 110.386 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.854 HD12 HD11 ' A' ' 149' ' ' ILE . 0.1 OUTLIER -69.26 143.9 53.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 10.0 109.302 179.975 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.573 HG21 ' HB2' ' A' ' 143' ' ' ARG . 7.5 p -158.43 166.85 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 10.0 109.317 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.618 ' CG2' HG11 ' A' ' 14' ' ' VAL . 2.1 m -136.4 160.33 37.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 10.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -88.62 -167.02 1.75 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 10.0 109.586 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.466 ' CA ' HD21 ' A' ' 144' ' ' LEU . 0.5 OUTLIER -105.55 -39.9 5.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 10.0 110.357 179.979 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.09 178.28 5.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 10.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.763 ' HB1' ' HB2' ' A' ' 42' ' ' LEU . . . -80.01 161.35 25.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 10.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.457 ' CG ' ' HB2' ' A' ' 140' ' ' ALA . 0.2 OUTLIER -94.55 91.04 6.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 10.0 109.354 179.936 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -62.11 -24.97 67.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.105 . . . . 10.0 109.315 -179.958 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.475 HD21 ' CD ' ' A' ' 79' ' ' ARG . 30.9 mt 58.63 19.17 6.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 10.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 158.34 116.07 0.46 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.553 1.158 . . . . 10.0 110.957 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.82 -35.19 5.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 0.749 . . . . 10.0 109.327 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 149.97 -45.8 0.66 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.47 1.106 . . . . 10.0 111.001 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -87.47 159.88 31.18 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 110.954 -0.858 . . . . 10.0 110.954 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . 0.517 ' O ' ' CB ' ' A' ' 132' ' ' GLU . 5.4 m-80 -112.9 111.39 22.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 0.748 . . . . 10.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.517 ' CB ' ' O ' ' A' ' 131' ' ' ASN . 1.4 mt-10 159.85 -22.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 10.0 110.297 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . 0.443 ' O ' ' CG ' ' A' ' 136' ' ' LYS . 0.8 OUTLIER -110.67 -64.83 1.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 10.0 110.334 179.989 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . 0.502 ' HA ' ' CA ' ' A' ' 138' ' ' GLY . 0.3 OUTLIER -69.49 -27.03 64.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 10.0 110.028 179.955 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . 0.509 ' OG1' ' N ' ' A' ' 132' ' ' GLU . 7.0 p -76.28 -13.87 60.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 10.0 110.398 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.606 ' HG3' HG23 ' A' ' 137' ' ' THR . 31.1 pttt -105.42 -30.74 9.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 10.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . 0.606 HG23 ' HG3' ' A' ' 136' ' ' LYS . 74.1 p -137.6 -71.68 0.43 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 10.0 110.388 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . 0.502 ' CA ' ' HA ' ' A' ' 134' ' ' SER . . . 144.32 43.53 0.05 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.457 1.098 . . . . 10.0 110.99 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 1.6 m120 47.57 24.82 0.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 0.771 . . . . 10.0 109.281 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.457 ' HB2' ' CG ' ' A' ' 124' ' ' ASP . . . -64.51 -62.0 1.86 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.539 1.149 . . . . 10.0 109.355 179.951 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 142.07 -119.01 1.37 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.455 1.097 . . . . 10.0 110.982 179.991 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . 0.848 ' O ' HD23 ' A' ' 144' ' ' LEU . 2.5 t -151.95 122.71 7.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 0.723 . . . . 10.0 110.042 -179.985 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . 0.573 ' HB2' HG21 ' A' ' 118' ' ' VAL . 0.0 OUTLIER -42.87 151.14 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 10.0 110.308 179.989 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.848 HD23 ' O ' ' A' ' 142' ' ' SER . 0.4 OUTLIER -162.47 77.49 0.48 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 10.0 109.308 179.978 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . 0.682 ' HB2' ' O ' ' A' ' 144' ' ' LEU . . . 162.54 160.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.421 1.076 . . . . 10.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 146' ' ' CYS . . . . . 0.413 ' HA ' ' O ' ' A' ' 117' ' ' LEU . 1.3 m -156.23 65.41 0.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.103 . . . . 10.0 108.251 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . 0.803 ' O ' ' HB1' ' A' ' 6' ' ' ALA . . . -79.64 63.73 3.95 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.504 1.127 . . . . 10.0 111.0 179.958 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.743 HG21 ' HA2' ' A' ' 56' ' ' GLY . 2.6 t -53.54 127.97 12.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.519 0.776 . . . . 10.0 109.346 179.961 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 149' ' ' ILE . . . . . 0.854 HD11 HD12 ' A' ' 117' ' ' LEU . 3.7 mp -85.07 122.05 37.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 10.0 109.29 -179.966 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -138.14 140.02 10.82 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.494 1.121 . . . . 10.0 110.951 -179.969 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . 0.811 HD12 HG22 ' A' ' 2' ' ' THR . 18.5 mm -51.58 144.27 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.522 0.778 . . . . 10.0 109.316 179.926 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . 0.639 ' HB3' HG23 ' A' ' 5' ' ' VAL . . . -148.68 160.76 42.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 10.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 10.0 110.332 179.973 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.485 ' N ' ' O ' ' A' ' 22' ' ' GLN . . . . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.313 -0.625 . . . . 10.0 109.313 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.928 HG21 HD12 ' A' ' 151' ' ' ILE . 93.6 m -95.26 167.03 11.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 10.0 110.388 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.583 ' O ' ' HB3' ' A' ' 152' ' ' ALA . 1.7 ttmt -119.15 102.67 8.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 10.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.996 ' HB3' ' HB2' ' A' ' 20' ' ' PHE . . . -83.93 167.98 16.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 10.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.662 HG22 ' HB2' ' A' ' 152' ' ' ALA . 0.1 OUTLIER -154.71 148.95 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 10.0 109.332 -179.975 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.649 ' HB3' ' CG1' ' A' ' 18' ' ' ILE . . . -144.42 104.73 4.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 10.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.458 ' O ' HG13 ' A' ' 7' ' ' VAL . 6.3 p -82.27 87.38 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 10.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.666 HD22 ' HA3' ' A' ' 147' ' ' GLY . 0.7 OUTLIER -39.27 141.99 0.29 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 10.0 109.272 -179.963 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -176.75 121.66 0.14 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 10.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -174.66 -73.71 0.05 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.529 1.143 . . . . 10.0 110.998 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.91 ' CB ' HD12 ' A' ' 144' ' ' LEU . 66.8 t0 -54.6 -41.04 69.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 0.743 . . . . 10.0 109.353 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.422 ' N ' ' CD ' ' A' ' 13' ' ' PRO . . . 124.18 -55.9 0.7 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.524 1.14 . . . . 10.0 110.987 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.422 ' CD ' ' N ' ' A' ' 12' ' ' GLY . 18.3 Cg_endo -74.99 -24.1 13.18 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.524 1.802 . . . . 10.0 111.018 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.517 ' O ' ' CG1' ' A' ' 14' ' ' VAL . 0.3 OUTLIER -90.9 113.12 26.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 10.0 109.273 179.987 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -131.94 49.83 2.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 10.0 110.263 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.48 ' N ' ' HB2' ' A' ' 8' ' ' LEU . . . -61.46 166.93 14.5 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.51 1.131 . . . . 10.0 110.996 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 52.6 mt -141.78 110.16 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.539 0.788 . . . . 10.0 109.266 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.765 HD13 ' CE1' ' A' ' 20' ' ' PHE . 0.6 OUTLIER -97.52 161.13 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 10.0 109.317 179.985 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.702 ' N ' HD12 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -150.94 118.47 6.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 10.0 109.269 -179.969 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.996 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 3.9 m-30 -106.61 98.01 7.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 10.0 111.006 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 30' ' ' LYS . 21.8 tt0 -113.62 135.82 53.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.082 . . . . 10.0 110.293 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.485 ' O ' ' N ' ' A' ' 1' ' ' ALA . 1.1 tt0 -137.59 58.41 1.7 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 10.0 110.327 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.84 66.13 0.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 10.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.408 ' O ' ' CB ' ' A' ' 25' ' ' SER . 1.7 mm-40 -136.6 -50.11 0.66 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 10.0 110.274 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.408 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 0.1 OUTLIER 79.47 -4.7 1.99 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 10.0 110.007 -179.977 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 19.5 m-20 -163.82 29.24 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 10.0 109.273 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -137.84 -173.9 13.14 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.53 1.144 . . . . 10.0 110.98 -179.967 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.422 ' HA ' ' HA ' ' A' ' 102' ' ' SER . 18.3 Cg_endo -75.03 156.97 42.88 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.473 1.775 . . . . 10.0 111.001 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.3 t -84.34 122.43 37.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 10.0 109.307 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 21' ' ' GLU . 21.2 mttt -75.44 89.36 2.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.128 . . . . 10.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.776 HG13 ' CE1' ' A' ' 20' ' ' PHE . 21.6 t -88.65 126.55 41.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 10.0 109.321 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.56 ' CE2' ' CG ' ' A' ' 19' ' ' ASN . 0.0 OUTLIER -155.95 167.96 28.76 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.002 -1.11 . . . . 10.0 108.002 -179.975 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.469 ' N ' ' CD1' ' A' ' 32' ' ' TRP . . . 178.38 -173.45 45.86 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.515 1.134 . . . . 10.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.7 m -156.03 116.76 3.77 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.466 0.745 . . . . 10.0 109.978 -179.963 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.895 HG21 HD12 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -85.25 161.09 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 10.0 109.272 -179.953 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.437 ' CG ' ' O ' ' A' ' 35' ' ' ILE . 21.8 mttt -153.93 99.06 2.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 10.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 146.65 -35.12 1.32 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.492 1.12 . . . . 10.0 111.019 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.895 HD12 HG21 ' A' ' 35' ' ' ILE . 8.0 mt -53.34 -170.32 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 0.744 . . . . 10.0 109.33 179.942 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.1 p -133.95 130.64 37.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 10.0 110.384 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.722 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -41.47 109.27 0.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 10.0 110.33 179.965 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.441 ' C ' HD13 ' A' ' 42' ' ' LEU . . . 154.03 -144.33 11.12 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.497 1.123 . . . . 10.0 110.99 -179.977 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.885 ' C ' ' HB2' ' A' ' 123' ' ' ALA . 0.2 OUTLIER -97.71 149.96 21.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 0.76 . . . . 10.0 109.291 -179.974 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.558 ' CE1' ' HB ' ' A' ' 87' ' ' VAL . 3.5 p80 -155.45 135.0 12.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 10.0 109.578 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.519 ' HA3' ' CD2' ' A' ' 120' ' ' HIS . . . -40.16 161.49 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.442 1.089 . . . . 10.0 110.994 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.55 ' CG ' ' O ' ' A' ' 83' ' ' ASP . 28.1 t80 -103.1 163.2 12.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 0.768 . . . . 10.0 111.067 179.953 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.725 ' C ' HG23 ' A' ' 47' ' ' VAL . 2.3 m-70 -67.2 175.68 2.54 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.505 1.128 . . . . 10.0 109.615 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.725 HG23 ' C ' ' A' ' 46' ' ' HIS . 2.5 t 83.75 122.63 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 10.0 109.303 179.95 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.477 ' NE2' ' CZ ' ' A' ' 143' ' ' ARG . 5.0 p-80 -147.81 147.58 29.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 10.0 109.587 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 75.21 -80.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 10.0 110.277 179.956 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -156.66 -57.76 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 10.0 110.308 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -165.53 -57.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 10.0 110.323 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 57.31 166.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 10.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 55.8 m-80 -153.13 42.51 0.59 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 10.0 109.322 -179.95 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.49 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 1.3 t -140.53 -52.24 0.48 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 10.0 110.388 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.49 ' HB3' ' O ' ' A' ' 54' ' ' THR . . . 71.3 116.16 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 10.0 109.256 179.972 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -106.43 -40.94 1.83 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.576 1.172 . . . . 10.0 110.983 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 1.048 ' SG ' ' CB ' ' A' ' 146' ' ' CYS . 0.5 OUTLIER 58.37 74.8 0.42 Allowed 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.297 -1.001 . . . . 10.0 108.297 -179.989 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 30.1 p -143.33 -142.83 0.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 10.0 110.427 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.6 t -158.02 86.45 0.9 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 10.0 110.018 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -112.1 -55.78 2.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 10.0 109.309 179.972 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 165.99 138.06 2.34 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.503 1.127 . . . . 10.0 111.058 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.434 ' HB2' ' CZ ' ' A' ' 64' ' ' PHE . 18.2 Cg_endo -75.0 149.15 36.27 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.463 1.77 . . . . 10.0 110.979 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -127.08 -56.36 1.34 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 10.0 109.588 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.533 ' N ' ' CD1' ' A' ' 64' ' ' PHE . 3.1 m-30 57.97 162.16 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 10.0 111.005 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 -95.78 122.47 58.63 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 10.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 81.25 2.24 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.472 1.775 . . . . 10.0 111.01 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.61 ' O ' HD22 ' A' ' 67' ' ' LEU . 0.5 OUTLIER -155.59 -48.93 0.08 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.14 . . . . 10.0 109.285 179.991 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.465 ' HB2' HD13 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -121.63 -38.39 2.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 10.0 109.98 -179.943 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 69' ' ' ARG . 14.5 mtp180 -76.33 56.34 1.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 10.0 110.318 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -158.58 68.94 0.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 10.0 109.278 -179.945 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.451 ' CG ' ' O ' ' A' ' 71' ' ' HIS . 36.9 t-80 40.71 48.21 2.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 10.0 109.59 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -147.75 -176.56 21.44 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.473 1.108 . . . . 10.0 111.019 -180.0 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 146.91 -135.04 5.52 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.023 -0.831 . . . . 10.0 111.023 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.518 ' HD3' ' CG ' ' A' ' 80' ' ' HIS . 18.2 Cg_endo -75.06 -29.8 7.75 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.479 1.778 . . . . 10.0 110.98 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.03 36.92 0.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 10.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.19 80.6 0.19 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 10.0 109.341 -179.933 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.482 ' HA ' HD21 ' A' ' 126' ' ' LEU . 0.8 OUTLIER -129.44 2.73 5.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 10.0 110.323 179.995 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.411 ' CD ' ' O ' ' A' ' 136' ' ' LYS . 24.6 tt0 61.19 128.08 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 10.0 110.299 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.417 ' NH2' ' OD2' ' A' ' 124' ' ' ASP . 55.7 mtm180 49.8 90.72 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 10.0 110.32 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.518 ' CG ' ' HD3' ' A' ' 74' ' ' PRO . 2.6 t-80 -114.98 -12.94 11.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 10.0 109.586 -179.965 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 53.9 t -107.77 -32.66 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 10.0 109.316 179.99 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -90.88 -88.93 1.37 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.479 1.112 . . . . 10.0 110.992 -179.982 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.55 ' O ' ' CG ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -65.58 -14.3 60.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 0.747 . . . . 10.0 109.324 179.97 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.639 HD23 ' H ' ' A' ' 85' ' ' GLY . 0.4 OUTLIER 54.66 -92.65 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 10.0 109.312 -179.966 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.639 ' H ' HD23 ' A' ' 84' ' ' LEU . . . -123.96 169.18 16.06 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.458 1.099 . . . . 10.0 111.027 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -84.21 173.75 10.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 0.799 . . . . 10.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.695 HG12 ' H ' ' A' ' 88' ' ' THR . 2.6 t -126.42 178.28 4.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 10.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.695 ' H ' HG12 ' A' ' 87' ' ' VAL . 51.8 m -144.25 134.49 24.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 10.0 110.432 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.722 ' HB3' ' HA ' ' A' ' 40' ' ' GLU . . . -85.92 175.19 8.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 10.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.445 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 6.7 t70 -82.21 -97.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 10.0 109.334 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.504 ' CG ' ' O ' ' A' ' 91' ' ' LYS . 9.1 ttpt -138.44 10.61 2.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 10.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -150.41 21.06 0.84 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.562 1.164 . . . . 10.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.46 ' CA ' ' HB1' ' A' ' 89' ' ' ALA . . . 89.91 -30.52 5.78 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.525 1.141 . . . . 10.0 110.96 179.911 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.563 HG13 ' O ' ' A' ' 35' ' ' ILE . 18.9 t -44.59 104.14 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 0.751 . . . . 10.0 109.257 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.406 ' HB3' ' HB ' ' A' ' 35' ' ' ILE . . . -106.92 116.55 32.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 10.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.412 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 1.2 t70 -108.25 145.09 34.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 10.0 109.267 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.454 HG12 ' N ' ' A' ' 98' ' ' SER . 23.9 t -110.65 165.15 6.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 10.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.454 ' N ' HG12 ' A' ' 97' ' ' VAL . 87.6 p 179.34 93.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 10.0 109.971 179.951 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.493 HG22 ' H ' ' A' ' 100' ' ' GLU . 1.2 mt -143.87 173.37 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 10.0 109.277 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.493 ' H ' HG22 ' A' ' 99' ' ' ILE . 17.1 mt-10 -137.3 107.29 6.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 10.0 110.338 179.961 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -111.31 123.06 49.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 10.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.422 ' HA ' ' HA ' ' A' ' 28' ' ' PRO . 0.1 OUTLIER -117.13 74.36 0.91 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 10.0 109.976 179.998 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 55.8 t -150.13 -47.25 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 10.0 109.272 179.985 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.692 HG13 HG21 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -87.47 -169.03 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 10.0 109.307 -179.983 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.426 ' N ' HG12 ' A' ' 104' ' ' ILE . 0.4 OUTLIER -153.38 158.68 41.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 10.0 109.955 -179.977 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -85.65 -43.03 13.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 10.0 109.275 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -148.7 76.0 1.33 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 10.0 110.019 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -148.27 -126.09 1.55 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.587 1.179 . . . . 10.0 111.011 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -94.76 5.51 51.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 0.764 . . . . 10.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 26.4 m-70 -122.87 -56.19 1.77 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.095 . . . . 10.0 109.609 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 7.5 t 45.86 94.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 10.0 110.005 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.692 HG21 HG13 ' A' ' 104' ' ' ILE . 1.1 pt -90.43 -7.54 10.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 10.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 18.0 mt -49.78 127.76 5.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 10.0 109.285 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 121.37 3.1 10.6 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.462 1.101 . . . . 10.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.558 ' O ' HD22 ' A' ' 117' ' ' LEU . 30.9 mtt180 -85.27 83.0 8.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 0.734 . . . . 10.0 110.325 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.763 ' O ' HG23 ' A' ' 118' ' ' VAL . 9.8 t -55.71 106.28 0.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 10.0 110.366 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.615 HD21 HD11 ' A' ' 149' ' ' ILE . 3.8 mm? -61.14 88.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.1 . . . . 10.0 109.267 -180.0 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.836 HG11 ' HG2' ' A' ' 143' ' ' ARG . 3.4 t -84.7 151.09 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 10.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.5 ' CG1' HD11 ' A' ' 38' ' ' LEU . 65.9 t -135.86 127.56 44.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 10.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.519 ' CD2' ' HA3' ' A' ' 44' ' ' GLY . 4.9 m-70 -84.78 131.69 34.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 10.0 109.58 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.57 -39.99 50.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 10.0 110.351 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.864 ' HB3' ' HB1' ' A' ' 140' ' ' ALA . 0.6 OUTLIER -120.06 168.85 10.76 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.129 . . . . 10.0 109.258 -179.98 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.885 ' HB2' ' C ' ' A' ' 42' ' ' LEU . . . -94.12 -164.51 1.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 10.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.417 ' OD2' ' NH2' ' A' ' 79' ' ' ARG . 0.5 OUTLIER -152.0 96.23 2.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 10.0 109.287 -179.989 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 126' ' ' LEU . 13.9 m-20 -86.57 48.19 1.6 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 10.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.482 HD21 ' HA ' ' A' ' 77' ' ' GLU . 2.2 mp 39.42 68.15 0.39 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 10.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . 0.443 ' C ' ' N ' ' A' ' 129' ' ' GLY . . . -93.27 -45.84 3.43 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.53 1.144 . . . . 10.0 110.948 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.781 ' HB2' HG22 ' A' ' 135' ' ' THR . 9.0 pttp 41.56 28.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 0.768 . . . . 10.0 109.303 -179.942 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.443 ' N ' ' C ' ' A' ' 127' ' ' GLY . . . -41.09 -40.43 2.4 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.46 1.1 . . . . 10.0 111.062 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -101.67 -134.52 8.49 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.023 -0.831 . . . . 10.0 111.023 179.951 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -154.42 139.47 17.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 0.754 . . . . 10.0 109.333 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 59.82 22.89 11.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 10.0 110.271 -179.977 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -134.52 -80.23 0.45 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 10.0 110.27 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . 0.422 ' HB3' ' N ' ' A' ' 139' ' ' ASN . 1.2 p -75.09 -27.94 60.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 10.0 110.031 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . 0.781 HG22 ' HB2' ' A' ' 128' ' ' LYS . 17.6 p -46.48 -31.32 2.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 10.0 110.415 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.411 ' O ' ' CD ' ' A' ' 78' ' ' GLU . 5.9 pttt -101.37 -28.34 12.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 10.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . 0.426 ' OG1' ' N ' ' A' ' 138' ' ' GLY . 68.6 p -123.83 -101.19 0.4 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 10.0 110.372 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . 0.455 ' O ' ' N ' ' A' ' 140' ' ' ALA . . . 173.89 35.26 0.04 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.503 1.127 . . . . 10.0 111.007 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . 0.454 ' C ' ' O ' ' A' ' 138' ' ' GLY . 7.2 t-20 35.94 34.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 0.782 . . . . 10.0 109.307 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.864 ' HB1' ' HB3' ' A' ' 122' ' ' LYS . . . -98.93 -58.75 1.87 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 10.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -167.34 -136.09 1.98 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.488 1.117 . . . . 10.0 111.013 179.978 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 143' ' ' ARG . 1.0 OUTLIER -176.77 -168.51 0.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 0.795 . . . . 10.0 109.989 179.996 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . 0.931 ' O ' HD22 ' A' ' 144' ' ' LEU . 11.0 mtp180 -38.83 145.75 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.087 . . . . 10.0 110.306 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.931 HD22 ' O ' ' A' ' 143' ' ' ARG . 0.2 OUTLIER -161.68 28.35 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 10.0 109.303 179.997 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . 0.43 ' HB1' ' CD1' ' A' ' 8' ' ' LEU . . . -167.43 169.08 12.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 10.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 146' ' ' CYS . . . . . 1.048 ' CB ' ' SG ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER -155.0 72.58 0.84 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 10.0 108.305 179.985 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . 0.666 ' HA3' HD22 ' A' ' 8' ' ' LEU . . . -89.51 72.11 2.19 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.464 1.103 . . . . 10.0 111.03 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 18.8 t -65.31 136.72 26.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.534 0.785 . . . . 10.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 149' ' ' ILE . . . . . 0.77 HG23 ' HB1' ' A' ' 4' ' ' ALA . 1.1 mp -73.74 111.55 9.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 10.0 109.301 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 151' ' ' ILE . . . -120.99 111.7 1.97 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.486 1.116 . . . . 10.0 110.994 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . 0.928 HD12 HG21 ' A' ' 2' ' ' THR . 13.8 mm -39.62 142.22 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.765 . . . . 10.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . 0.662 ' HB2' HG22 ' A' ' 5' ' ' VAL . . . -103.8 168.62 9.02 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.505 1.128 . . . . 10.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 10.0 110.313 -179.979 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 22' ' ' GLN . . . . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.325 -0.62 . . . . 10.0 109.325 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.718 HG22 ' O ' ' A' ' 2' ' ' THR . 0.9 OUTLIER -82.63 78.71 9.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 10.0 110.419 179.994 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -92.39 99.98 12.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 10.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 1.013 ' HB1' HG23 ' A' ' 149' ' ' ILE . . . -85.28 149.94 25.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 10.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 6.1 t -118.96 151.23 21.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 10.0 109.33 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.839 ' HB3' HG23 ' A' ' 18' ' ' ILE . . . -155.52 86.75 1.08 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 10.0 109.328 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.573 HG23 HG12 ' A' ' 17' ' ' ILE . 7.4 p -84.21 107.42 15.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 10.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.674 HD11 ' CD2' ' A' ' 117' ' ' LEU . 0.8 OUTLIER -56.34 130.97 46.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 10.0 109.356 179.977 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.607 ' N ' ' HB1' ' A' ' 145' ' ' ALA . 18.9 tttt -159.1 132.17 7.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 10.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 11' ' ' ASP . . . 176.07 -94.97 0.1 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.475 1.109 . . . . 10.0 111.006 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 10' ' ' GLY . 45.3 t0 -38.43 -63.17 0.52 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 0.749 . . . . 10.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.418 ' N ' ' CD ' ' A' ' 13' ' ' PRO . . . 157.57 -55.79 0.38 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.448 1.092 . . . . 10.0 110.997 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.418 ' CD ' ' N ' ' A' ' 12' ' ' GLY . 18.4 Cg_endo -74.99 -38.5 1.57 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.477 1.777 . . . . 10.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.486 ' O ' HG12 ' A' ' 14' ' ' VAL . 3.2 t -65.14 94.55 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 10.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -119.59 37.77 4.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 10.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.489 ' N ' ' HB2' ' A' ' 8' ' ' LEU . . . -52.42 161.82 2.27 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.531 1.144 . . . . 10.0 110.952 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.573 HG12 HG23 ' A' ' 7' ' ' VAL . 65.2 mt -142.75 100.84 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.46 0.741 . . . . 10.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.839 HG23 ' HB3' ' A' ' 6' ' ' ALA . 0.3 OUTLIER -108.28 161.3 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 10.0 109.256 -179.969 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.45 ' N ' ' CG1' ' A' ' 18' ' ' ILE . 0.1 OUTLIER -152.92 157.75 41.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 10.0 109.262 179.99 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.805 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 6.3 m-85 -129.85 107.04 9.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 10.0 111.025 179.932 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -96.79 148.92 22.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 10.0 110.323 -179.996 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.587 ' HG3' HG22 ' A' ' 29' ' ' VAL . 17.6 tt0 -146.56 82.99 1.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 10.0 110.291 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.8 mttt -76.53 55.94 1.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 10.0 109.309 -180.0 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -156.2 -44.36 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 10.0 110.277 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 75.06 1.76 3.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 10.0 109.983 180.0 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -167.91 31.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 10.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -141.07 -144.03 4.37 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.49 1.119 . . . . 10.0 111.002 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.464 ' HA ' ' O ' ' A' ' 101' ' ' ASP . 18.2 Cg_endo -75.03 157.92 42.38 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.492 1.785 . . . . 10.0 110.986 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.587 HG22 ' HG3' ' A' ' 22' ' ' GLN . 46.7 t -120.63 114.55 44.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 10.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.6 mttt -76.29 97.27 4.15 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 10.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.674 HG22 ' CD2' ' A' ' 20' ' ' PHE . 42.5 t -89.79 142.26 13.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 10.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -167.62 156.55 9.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 10.0 107.976 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.458 ' CA ' ' HA ' ' A' ' 18' ' ' ILE . . . -172.22 -173.98 39.29 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.517 1.136 . . . . 10.0 110.999 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.4 m -156.95 121.28 4.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 0.734 . . . . 10.0 110.026 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.905 HG21 HD13 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -83.98 165.8 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 10.0 109.345 179.978 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.509 ' N ' HG23 ' A' ' 35' ' ' ILE . 14.3 mtmt -155.96 109.72 2.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 10.0 109.265 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.454 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 140.07 -45.23 1.01 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.524 1.14 . . . . 10.0 110.969 179.949 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.905 HD13 HG21 ' A' ' 35' ' ' ILE . 1.7 mp -52.42 -171.66 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 0.746 . . . . 10.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.448 ' O ' ' NE2' ' A' ' 43' ' ' HIS . 17.6 p -133.32 137.93 46.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 10.0 110.401 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.599 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 0.4 OUTLIER -37.17 116.79 0.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 10.0 110.305 179.991 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.409 ' O ' ' HA ' ' A' ' 88' ' ' THR . . . 151.27 -176.82 29.58 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.443 1.089 . . . . 10.0 110.958 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.942 HD22 ' ND2' ' A' ' 86' ' ' ASN . 1.3 mt -75.5 138.68 41.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 0.78 . . . . 10.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.668 ' CD2' HD22 ' A' ' 38' ' ' LEU . 58.4 m-70 -133.63 170.63 15.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 10.0 109.614 -179.952 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -86.96 153.92 26.12 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.501 1.126 . . . . 10.0 111.005 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.564 ' CE1' HD12 ' A' ' 117' ' ' LEU . 10.6 t80 -142.67 78.9 1.63 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 0.764 . . . . 10.0 110.981 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.634 ' NE2' ' CD2' ' A' ' 120' ' ' HIS . 2.4 m170 -84.61 176.51 8.55 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 10.0 109.605 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.792 ' O ' HG12 ' A' ' 47' ' ' VAL . 24.4 t -139.35 61.31 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 10.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.569 ' CE1' ' HB3' ' A' ' 63' ' ' HIS . 0.1 OUTLIER -36.64 127.6 0.84 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 10.0 109.596 -179.986 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -130.26 128.25 41.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.113 . . . . 10.0 110.327 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.4 ' C ' ' N ' ' A' ' 52' ' ' ASP . 0.8 OUTLIER -149.98 135.36 18.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 10.0 110.334 -179.986 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -42.2 -28.71 0.2 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 10.0 110.292 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.596 ' HB3' HG22 ' A' ' 54' ' ' THR . 6.2 m-20 -140.24 135.59 32.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 10.0 109.363 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.485 HD22 HG13 ' A' ' 148' ' ' VAL . 3.1 m-20 -103.71 59.42 0.74 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 10.0 109.329 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.668 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 0.0 OUTLIER -134.06 115.77 14.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.12 . . . . 10.0 110.434 -179.975 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.668 ' HB2' ' O ' ' A' ' 54' ' ' THR . . . 165.57 -53.25 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 10.0 109.317 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.442 ' O ' ' CB ' ' A' ' 57' ' ' CYS . . . 136.22 -57.04 0.68 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.444 1.09 . . . . 10.0 111.03 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.442 ' CB ' ' O ' ' A' ' 56' ' ' GLY . 0.8 OUTLIER 164.52 85.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.287 -1.005 . . . . 10.0 108.287 -179.969 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 68.7 p -120.2 -145.27 0.36 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 10.0 110.377 179.993 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.567 ' HA ' ' CE1' ' A' ' 63' ' ' HIS . 80.9 p -161.47 85.17 0.64 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.13 . . . . 10.0 110.061 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -79.96 -61.87 1.86 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 10.0 109.322 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -172.61 -62.21 0.05 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.479 1.112 . . . . 10.0 110.996 -179.981 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 108.7 2.78 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.494 1.786 . . . . 10.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.569 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 17.4 m170 -136.94 -51.67 0.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 10.0 109.583 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -118.26 -172.2 2.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 10.0 110.993 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -103.31 127.3 29.98 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 10.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 66.62 5.98 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.466 1.772 . . . . 10.0 111.003 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.732 HD23 ' O ' ' A' ' 67' ' ' LEU . 3.4 tt -141.58 -47.03 0.37 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 10.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.464 ' HB3' HG23 ' A' ' 81' ' ' VAL . 93.8 p -94.87 -127.66 0.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 10.0 110.039 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 17.4 ptt180 38.47 29.93 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 10.0 110.316 -179.974 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 68' ' ' SER . 8.5 tttm -129.74 81.08 2.0 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 10.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.485 ' CG ' ' O ' ' A' ' 71' ' ' HIS . 2.5 p80 39.06 39.13 0.36 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 10.0 109.6 179.931 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 66.7 -126.97 27.9 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.5 1.125 . . . . 10.0 110.983 -179.981 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 178.47 -58.61 0.09 OUTLIER Glycine 0 CA--C 1.529 0.962 0 N-CA-C 110.948 -0.861 . . . . 10.0 110.948 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -73.18 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.495 1.787 . . . . 10.0 111.015 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.91 34.35 5.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 10.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 46.86 82.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 10.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.415 ' O ' ' O ' ' A' ' 78' ' ' GLU . 0.4 OUTLIER -120.25 -10.85 9.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 10.0 110.33 179.98 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.415 ' O ' ' O ' ' A' ' 77' ' ' GLU . 13.2 tt0 60.68 138.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 10.0 110.26 179.961 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.455 ' NH2' ' O ' ' A' ' 137' ' ' THR . 2.0 mtt180 52.03 76.2 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 10.0 110.346 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 24.7 p80 -105.96 6.52 31.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 10.0 109.633 -179.97 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.464 HG23 ' HB3' ' A' ' 68' ' ' SER . 54.9 t -106.44 -84.7 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 10.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -59.34 -51.26 60.22 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.48 1.113 . . . . 10.0 110.999 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.494 ' O ' ' CB ' ' A' ' 84' ' ' LEU . 1.0 OUTLIER -71.86 -52.88 15.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 0.75 . . . . 10.0 109.288 -179.98 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.494 ' CB ' ' O ' ' A' ' 83' ' ' ASP . 0.5 OUTLIER 87.04 -4.24 0.65 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 10.0 109.285 179.964 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 150.64 -153.32 24.95 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.496 1.123 . . . . 10.0 110.996 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.942 ' ND2' HD22 ' A' ' 42' ' ' LEU . 31.5 p-10 -121.42 159.13 26.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 0.779 . . . . 10.0 109.259 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.811 ' O ' HD23 ' A' ' 42' ' ' LEU . 20.8 m -113.8 -167.08 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 10.0 109.334 179.929 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.409 ' HA ' ' O ' ' A' ' 41' ' ' GLY . 70.0 m -156.14 148.4 23.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 10.0 110.405 179.963 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.599 ' HB3' ' HA ' ' A' ' 40' ' ' GLU . . . -85.92 175.52 8.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 10.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.449 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 9.3 t70 -77.6 -97.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 10.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.449 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 23.2 mtmt -138.51 10.82 2.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 10.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -155.06 24.42 0.43 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 10.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.589 ' C ' ' HB1' ' A' ' 89' ' ' ALA . . . 93.92 -37.45 3.4 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.473 1.108 . . . . 10.0 110.99 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.479 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 73.8 t -41.02 101.19 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.517 0.775 . . . . 10.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.563 ' HB3' ' HB ' ' A' ' 35' ' ' ILE . . . -100.11 115.95 31.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 10.0 109.286 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.432 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 4.0 p-10 -107.69 149.87 27.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 10.0 109.266 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.508 HG12 ' N ' ' A' ' 98' ' ' SER . 94.6 t -124.87 165.67 21.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 10.0 109.314 179.947 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.508 ' N ' HG12 ' A' ' 97' ' ' VAL . 22.2 p -175.61 93.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 10.0 110.023 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 20.9 mt -134.29 153.72 36.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 10.0 109.318 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -132.55 90.16 2.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 10.0 110.341 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.464 ' O ' ' HA ' ' A' ' 28' ' ' PRO . 80.4 m-20 -95.61 159.89 14.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 10.0 109.279 -179.941 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -138.42 12.85 2.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 10.0 110.032 179.968 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 49.6 t -97.46 -41.97 11.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.13 . . . . 10.0 109.287 179.995 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.525 ' CG1' HG21 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -77.84 -176.96 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 10.0 109.285 -179.984 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.408 ' O ' ' N ' ' A' ' 112' ' ' ILE . 47.1 t -162.82 146.81 11.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 10.0 110.002 -179.972 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.639 HD13 ' CG1' ' A' ' 112' ' ' ILE . 2.9 mm? -61.76 -41.8 98.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 10.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.29 86.31 1.16 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 10.0 109.97 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -153.25 -116.07 0.62 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.504 1.127 . . . . 10.0 111.015 179.967 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -97.47 6.95 47.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 0.776 . . . . 10.0 109.272 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 64.0 m80 -132.39 -47.68 0.9 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 10.0 109.581 -179.998 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 59.5 p 51.9 87.62 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.453 1.096 . . . . 10.0 109.953 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.639 ' CG1' HD13 ' A' ' 106' ' ' LEU . 35.9 pt -88.72 -5.69 10.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 10.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 9.9 mm -56.34 113.54 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 10.0 109.265 -179.968 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 104.83 41.86 1.91 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.468 1.105 . . . . 10.0 111.032 -179.996 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.845 ' HB2' HD13 ' A' ' 149' ' ' ILE . 5.1 mtm180 -83.9 69.17 10.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 0.783 . . . . 10.0 110.304 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 1.051 ' OG1' HG22 ' A' ' 148' ' ' VAL . 87.6 m -62.66 80.47 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 10.0 110.422 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.674 ' CD2' HD11 ' A' ' 8' ' ' LEU . 0.1 OUTLIER -73.89 117.44 15.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 10.0 109.285 179.978 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 1.009 HG13 ' O ' ' A' ' 145' ' ' ALA . 1.5 t -114.92 122.66 69.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 10.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 1.012 HG23 HD12 ' A' ' 144' ' ' LEU . 30.1 m -82.52 149.16 4.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 10.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.634 ' CD2' ' NE2' ' A' ' 46' ' ' HIS . 0.3 OUTLIER -84.82 151.98 23.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 10.0 109.622 -179.973 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.56 -14.27 12.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 10.0 110.298 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.543 ' HB3' ' HB2' ' A' ' 140' ' ' ALA . 1.8 tmtt? -149.52 -179.19 6.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.16 . . . . 10.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -69.25 166.84 17.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 10.0 109.259 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.433 ' OD1' ' N ' ' A' ' 124' ' ' ASP . 0.0 OUTLIER -45.02 -90.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 10.0 109.285 179.991 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . 0.433 ' OD1' ' CB ' ' A' ' 134' ' ' SER . 8.1 t70 -175.34 -39.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 10.0 109.271 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 3.7 mt 50.09 22.65 0.96 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 10.0 109.246 179.961 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 84.92 105.88 0.64 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.52 1.137 . . . . 10.0 110.991 -179.991 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 1.4 mttm -92.92 -84.37 0.29 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 0.785 . . . . 10.0 109.317 179.962 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 169.05 -34.61 0.19 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.526 1.141 . . . . 10.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -61.94 -166.56 0.49 Allowed Glycine 0 CA--C 1.529 0.967 0 N-CA-C 110.961 -0.855 . . . . 10.0 110.961 -179.974 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 19.7 m-80 -152.37 138.04 17.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 0.735 . . . . 10.0 109.303 -179.996 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 68.8 13.7 8.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 10.0 110.333 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.05 -64.78 0.94 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 10.0 110.312 179.964 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . 0.56 ' HA ' ' CA ' ' A' ' 138' ' ' GLY . 0.0 OUTLIER -91.88 -18.0 24.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 10.0 109.984 -179.984 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 75.0 p -82.78 7.95 13.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.414 1.071 . . . . 10.0 110.346 -179.947 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.698 ' HG2' HG23 ' A' ' 137' ' ' THR . 1.3 ttpt -127.8 -53.72 1.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 10.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . 0.698 HG23 ' HG2' ' A' ' 136' ' ' LYS . 27.0 p -114.37 -22.47 9.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 10.0 110.395 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . 0.56 ' CA ' ' HA ' ' A' ' 134' ' ' SER . . . 96.55 15.26 41.11 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.541 1.151 . . . . 10.0 110.978 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . 0.483 ' CB ' ' O ' ' A' ' 138' ' ' GLY . 2.5 t-20 81.59 -3.7 1.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 0.744 . . . . 10.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.543 ' HB2' ' HB3' ' A' ' 122' ' ' LYS . . . -123.87 79.92 1.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 10.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . 0.591 ' HA2' ' CE1' ' A' ' 120' ' ' HIS . . . -117.65 111.88 2.32 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.544 1.153 . . . . 10.0 111.014 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . 0.405 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 0.4 OUTLIER 165.43 97.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 0.787 . . . . 10.0 110.041 -179.982 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . 0.547 ' CG ' HG11 ' A' ' 118' ' ' VAL . 0.0 OUTLIER -46.59 161.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 10.0 110.295 -179.981 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 1.012 HD12 HG23 ' A' ' 119' ' ' VAL . 94.6 mt -123.29 -76.58 0.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 10.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . 1.009 ' O ' HG13 ' A' ' 118' ' ' VAL . . . -118.2 176.22 5.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 10.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 146' ' ' CYS . . . . . 0.703 ' O ' HG23 ' A' ' 148' ' ' VAL . 0.5 OUTLIER -149.22 70.4 1.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 10.0 108.316 179.983 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . 0.553 ' H ' HD13 ' A' ' 8' ' ' LEU . . . -37.98 -58.68 1.52 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.539 1.15 . . . . 10.0 110.979 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 1.051 HG22 ' OG1' ' A' ' 116' ' ' THR . 85.9 t 68.15 115.03 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 0.78 . . . . 10.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 149' ' ' ILE . . . . . 1.013 HG23 ' HB1' ' A' ' 4' ' ' ALA . 1.7 mp -69.57 135.55 28.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 10.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 151' ' ' ILE . . . -144.86 110.76 0.57 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.533 1.146 . . . . 10.0 110.987 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . 0.672 ' CD1' HG23 ' A' ' 2' ' ' THR . 16.2 mm -39.38 145.46 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.498 0.764 . . . . 10.0 109.277 179.959 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -143.13 168.26 20.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 10.0 109.287 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 10.0 110.29 -179.982 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.506 ' N ' ' O ' ' A' ' 22' ' ' GLN . . . . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.31 -0.626 . . . . 10.0 109.31 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.536 HG22 ' H ' ' A' ' 3' ' ' LYS . 19.7 m -134.03 175.43 9.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 10.0 110.425 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.536 ' H ' HG22 ' A' ' 2' ' ' THR . 0.1 OUTLIER -97.53 90.99 5.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 10.0 109.268 -179.966 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.601 ' HB1' HG22 ' A' ' 149' ' ' ILE . . . -84.46 155.16 22.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 10.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.77 HG13 HD22 ' A' ' 19' ' ' ASN . 0.8 OUTLIER -135.52 142.73 38.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 10.0 109.279 179.999 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.753 ' HB1' ' O ' ' A' ' 147' ' ' GLY . . . -138.73 92.79 2.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 10.0 109.327 -179.943 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.565 ' O ' HG13 ' A' ' 7' ' ' VAL . 12.4 p -83.45 97.57 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 10.0 109.28 -179.952 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.521 HD22 ' HA3' ' A' ' 147' ' ' GLY . 1.3 mm? -42.77 139.85 1.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 10.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.4 tmtt? -173.34 120.88 0.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.436 1.085 . . . . 10.0 109.321 -179.978 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -179.88 -85.35 0.06 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.501 1.126 . . . . 10.0 111.019 -179.977 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -40.02 -47.34 2.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 0.767 . . . . 10.0 109.268 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 128.27 -57.03 0.72 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.516 1.135 . . . . 10.0 111.007 -179.946 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.447 ' O ' ' NE2' ' A' ' 15' ' ' GLN . 18.3 Cg_endo -75.04 -32.24 5.49 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.488 1.783 . . . . 10.0 111.016 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.654 ' CG2' HD12 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -81.99 113.38 21.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 10.0 109.313 179.98 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.447 ' NE2' ' O ' ' A' ' 13' ' ' PRO . 0.0 OUTLIER -132.9 56.44 1.85 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 10.0 110.316 -179.994 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.493 ' CA ' ' HA ' ' A' ' 35' ' ' ILE . . . -65.3 167.0 32.87 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.5 1.125 . . . . 10.0 111.026 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 24.6 mt -139.64 108.89 3.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 0.769 . . . . 10.0 109.291 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.844 ' C ' HD13 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -132.1 134.47 59.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 10.0 109.303 179.983 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.77 HD22 HG13 ' A' ' 5' ' ' VAL . 0.0 OUTLIER -125.94 163.32 23.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 10.0 109.299 179.993 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.957 ' CE1' HG13 ' A' ' 31' ' ' VAL . 2.1 m-85 -131.53 104.0 6.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 10.0 111.039 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.412 ' HA ' ' O ' ' A' ' 2' ' ' THR . 50.1 tt0 -114.72 118.59 34.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 10.0 110.307 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.767 ' CG ' HG22 ' A' ' 29' ' ' VAL . 1.1 tt0 -140.5 58.34 1.57 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 10.0 110.28 -179.968 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.5 mtmt -77.47 71.17 3.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 10.0 109.322 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.471 ' O ' ' CB ' ' A' ' 25' ' ' SER . 0.0 OUTLIER -134.65 -47.78 0.75 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 10.0 110.323 -179.972 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.471 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 2.3 m 83.28 -8.32 1.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 10.0 110.004 179.973 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 39.1 p-10 -167.23 31.21 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 10.0 109.317 179.94 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -132.11 -172.62 13.1 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.511 1.132 . . . . 10.0 111.017 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.404 ' HA ' ' HA ' ' A' ' 102' ' ' SER . 18.3 Cg_endo -75.03 154.98 42.76 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.491 1.785 . . . . 10.0 110.995 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.767 HG22 ' CG ' ' A' ' 22' ' ' GLN . 78.1 t -97.56 117.74 42.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 10.0 109.257 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.6 mttt -74.08 92.6 2.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.437 1.086 . . . . 10.0 109.293 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.957 HG13 ' CE1' ' A' ' 20' ' ' PHE . 87.8 t -98.23 112.9 31.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.145 . . . . 10.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.408 ' HA ' ' O ' ' A' ' 97' ' ' VAL . 0.6 OUTLIER -141.21 155.72 46.01 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.977 -1.12 . . . . 10.0 107.977 179.992 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.411 ' O ' ' HA ' ' A' ' 96' ' ' ASP . . . -177.17 179.64 47.92 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.51 1.131 . . . . 10.0 111.03 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 9.3 m -157.17 118.74 3.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 0.742 . . . . 10.0 110.031 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.771 HG21 HD13 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -84.23 162.94 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 10.0 109.287 -179.961 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.482 ' CG ' ' O ' ' A' ' 35' ' ' ILE . 14.0 mttt -155.98 102.37 2.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 10.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.459 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 141.29 -38.91 1.48 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.455 1.097 . . . . 10.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.972 HD11 HG21 ' A' ' 119' ' ' VAL . 0.5 OUTLIER -53.55 -167.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 0.745 . . . . 10.0 109.254 -179.95 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.401 ' O ' ' CE1' ' A' ' 43' ' ' HIS . 50.1 p -130.08 146.46 51.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 10.0 110.387 -179.948 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.793 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 3.3 pt-20 -54.89 111.09 0.76 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 10.0 110.277 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 154.64 162.45 11.21 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.504 1.127 . . . . 10.0 111.001 180.0 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.674 HD23 ' OG1' ' A' ' 88' ' ' THR . 6.7 mt -56.6 142.52 39.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 0.764 . . . . 10.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.766 ' CD2' HD22 ' A' ' 38' ' ' LEU . 40.7 m-70 -123.08 174.8 7.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 10.0 109.66 179.95 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -85.14 -179.37 50.9 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.441 1.088 . . . . 10.0 110.992 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.591 ' CE1' ' CG ' ' A' ' 86' ' ' ASN . 22.8 m-85 -82.98 173.53 11.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 0.776 . . . . 10.0 111.005 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.484 ' CB ' ' HG ' ' A' ' 117' ' ' LEU . 0.0 OUTLIER -104.92 167.64 9.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 10.0 109.589 -179.999 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 42.5 t 62.89 143.91 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 10.0 109.318 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.526 ' CG ' ' O ' ' A' ' 48' ' ' HIS . 21.5 p-80 -175.43 59.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 10.0 109.555 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 48' ' ' HIS . 3.5 pt-20 33.04 61.4 0.4 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 10.0 110.267 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.412 ' HG3' ' N ' ' A' ' 51' ' ' GLU . 20.6 tp10 -38.78 158.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 10.0 110.288 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.412 ' N ' ' HG3' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -127.27 -77.61 0.58 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 10.0 110.306 179.99 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -170.01 100.49 0.29 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 10.0 109.286 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 24.8 m-20 -178.81 44.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 10.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.618 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 1.3 t -147.22 -56.55 0.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 10.0 110.424 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.618 ' HB3' ' O ' ' A' ' 54' ' ' THR . . . 78.0 -56.34 0.49 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 10.0 109.269 179.943 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -78.21 57.0 4.04 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.498 1.124 . . . . 10.0 111.006 -179.966 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -170.21 149.5 3.49 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.355 -0.98 . . . . 10.0 108.355 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.447 ' O ' ' CB ' ' A' ' 59' ' ' SER . 1.8 p -92.83 -70.79 0.68 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.546 1.154 . . . . 10.0 110.388 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.447 ' CB ' ' O ' ' A' ' 58' ' ' THR . 0.7 OUTLIER 82.38 95.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 10.0 109.994 179.997 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.445 ' HB3' ' HA3' ' A' ' 114' ' ' GLY . . . -60.08 -51.55 69.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 10.0 109.293 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.432 ' O ' ' CE2' ' A' ' 64' ' ' PHE . . . -141.34 90.88 0.18 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.479 1.112 . . . . 10.0 110.983 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 56.65 4.32 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.518 1.799 . . . . 10.0 110.995 -179.966 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 69.0 m80 -155.11 90.39 1.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 10.0 109.543 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.432 ' CE2' ' O ' ' A' ' 61' ' ' GLY . 88.5 m-85 -121.95 64.3 0.92 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 10.0 110.982 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.579 ' OD1' HG23 ' A' ' 81' ' ' VAL . 2.8 m120 -145.76 61.02 7.09 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 10.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.481 ' HD3' ' N ' ' A' ' 65' ' ' ASN . 18.1 Cg_endo -74.96 -44.83 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.46 1.768 . . . . 10.0 110.956 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.497 ' O ' ' O ' ' A' ' 68' ' ' SER . 4.6 mt -116.48 -9.73 11.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 10.0 109.284 -179.937 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.497 ' O ' ' O ' ' A' ' 67' ' ' LEU . 26.1 m -33.3 -94.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 10.0 109.992 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.423 ' CB ' ' O ' ' A' ' 68' ' ' SER . 7.5 mmt180 78.11 -18.63 0.49 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 10.0 110.332 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.461 ' H ' ' C ' ' A' ' 68' ' ' SER . 0.0 OUTLIER 65.54 159.61 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 10.0 109.329 -179.988 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.439 ' N ' ' O ' ' A' ' 135' ' ' THR . 0.1 OUTLIER 68.04 148.92 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 10.0 109.625 179.998 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 90.04 -145.09 17.99 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.518 1.136 . . . . 10.0 111.037 -179.999 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -79.24 141.01 23.56 Favored Glycine 0 CA--C 1.53 1.031 0 N-CA-C 110.979 -0.848 . . . . 10.0 110.979 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.424 ' HA ' ' CB ' ' A' ' 80' ' ' HIS . 18.2 Cg_endo -75.02 -9.03 20.57 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.52 1.8 . . . . 10.0 110.99 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.1 tptm -174.76 35.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 10.0 109.291 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -134.53 -55.69 0.84 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 10.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.495 ' O ' ' CG ' ' A' ' 78' ' ' GLU . 0.3 OUTLIER -106.29 11.64 30.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 10.0 110.281 179.994 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.495 ' CG ' ' O ' ' A' ' 77' ' ' GLU . 2.2 mt-10 172.72 -169.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 10.0 110.288 179.942 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.439 ' O ' ' C ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -106.7 -13.47 15.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 10.0 110.293 -179.986 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.501 ' O ' ' C ' ' A' ' 81' ' ' VAL . 34.2 t-80 36.0 40.22 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 10.0 109.65 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.667 HG13 ' O ' ' A' ' 81' ' ' VAL . 11.3 p 33.03 88.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 10.0 109.33 -179.959 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 83' ' ' ASP . . . 176.82 -54.68 0.11 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.513 1.133 . . . . 10.0 110.991 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.418 ' C ' ' O ' ' A' ' 82' ' ' GLY . 2.2 p-10 38.61 36.7 0.15 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 0.786 . . . . 10.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.48 ' O ' ' CD1' ' A' ' 45' ' ' PHE . 10.0 tp -165.86 115.26 0.99 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.152 . . . . 10.0 109.235 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.448 ' O ' ' O ' ' A' ' 84' ' ' LEU . . . -41.15 166.69 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.474 1.109 . . . . 10.0 111.01 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.591 ' CG ' ' CE1' ' A' ' 45' ' ' PHE . 65.8 m-20 -83.08 153.6 24.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 0.757 . . . . 10.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 7.7 m -106.34 160.86 5.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 10.0 109.258 -179.966 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.674 ' OG1' HD23 ' A' ' 42' ' ' LEU . 52.3 m -134.27 147.04 50.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 10.0 110.434 179.945 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.793 ' HB3' ' HA ' ' A' ' 40' ' ' GLU . . . -84.28 158.13 21.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 10.0 109.28 -179.959 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.423 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 5.3 t70 -72.16 -96.37 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 10.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.508 ' CG ' ' O ' ' A' ' 91' ' ' LYS . 4.6 tttt -139.62 12.72 2.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 10.0 109.342 180.0 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -148.98 20.23 0.99 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 10.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.565 ' CA ' ' HB1' ' A' ' 89' ' ' ALA . . . 88.62 -27.84 6.85 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.539 1.149 . . . . 10.0 110.969 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.639 HG13 ' O ' ' A' ' 35' ' ' ILE . 37.0 t -55.21 109.25 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 0.768 . . . . 10.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.413 ' HB3' ' HB ' ' A' ' 35' ' ' ILE . . . -107.78 117.47 34.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 10.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.411 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 1.2 p-10 -102.05 155.75 17.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 10.0 109.265 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.408 ' O ' ' HA ' ' A' ' 32' ' ' TRP . 49.3 t -135.52 154.84 35.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 10.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 16.0 p -176.59 93.14 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 10.0 110.027 -179.982 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.628 HG22 ' H ' ' A' ' 100' ' ' GLU . 3.5 mt -140.47 175.35 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 10.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.628 ' H ' HG22 ' A' ' 99' ' ' ILE . 1.3 mt-10 -129.67 100.2 5.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 10.0 110.319 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -97.88 109.8 22.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 10.0 109.291 -179.982 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.404 ' HA ' ' HA ' ' A' ' 28' ' ' PRO . 95.5 p -104.79 56.05 0.7 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 10.0 109.985 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 51.5 t -132.33 -51.39 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 10.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.855 ' CG1' HG21 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -96.69 176.62 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.112 . . . . 10.0 109.313 179.975 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.658 ' C ' HD23 ' A' ' 106' ' ' LEU . 53.9 p -170.18 174.98 5.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 10.0 109.991 -179.955 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.752 ' N ' HD23 ' A' ' 106' ' ' LEU . 0.1 OUTLIER -101.01 40.55 1.27 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 10.0 109.283 -179.996 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -87.53 -168.53 2.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 10.0 109.995 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -94.25 19.29 54.18 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.492 1.12 . . . . 10.0 110.977 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -136.74 -59.91 0.71 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 0.783 . . . . 10.0 109.314 179.961 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.465 ' O ' HG23 ' A' ' 112' ' ' ILE . 33.6 m170 -90.09 15.52 10.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.14 . . . . 10.0 109.571 180.0 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -43.76 118.23 1.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 10.0 109.989 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.855 HG21 ' CG1' ' A' ' 104' ' ' ILE . 1.6 pp -101.31 -12.68 8.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 10.0 109.36 179.943 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.773 HD11 HD11 ' A' ' 151' ' ' ILE . 20.3 mt -48.58 131.95 6.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 10.0 109.269 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.445 ' HA3' ' HB3' ' A' ' 60' ' ' ALA . . . 110.41 8.37 25.11 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.488 1.118 . . . . 10.0 110.983 179.968 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 85.4 mtt180 -84.67 90.66 7.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 0.749 . . . . 10.0 110.314 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.578 HG23 ' HB2' ' A' ' 146' ' ' CYS . 55.3 m -61.69 100.25 0.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 10.0 110.422 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.529 ' CD2' HG21 ' A' ' 18' ' ' ILE . 0.5 OUTLIER -74.57 110.87 9.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 10.0 109.289 -179.992 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.702 HG23 ' O ' ' A' ' 144' ' ' LEU . 0.2 OUTLIER -137.32 107.7 5.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 10.0 109.289 179.988 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.972 HG21 HD11 ' A' ' 38' ' ' LEU . 33.3 m -72.25 172.62 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 10.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 30.8 m170 -111.73 143.14 43.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 10.0 109.608 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.43 -29.85 11.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 10.0 110.28 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.692 ' HB2' ' HB1' ' A' ' 140' ' ' ALA . 2.5 mttt -141.03 -172.01 3.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 10.0 109.294 -179.938 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.555 ' HB2' ' C ' ' A' ' 42' ' ' LEU . . . -99.7 -173.58 2.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 10.0 109.343 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.404 ' OD1' ' CA ' ' A' ' 126' ' ' LEU . 4.1 p30 -111.79 -5.13 14.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.157 . . . . 10.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 61.82 30.75 18.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 10.0 109.295 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.404 ' CA ' ' OD1' ' A' ' 124' ' ' ASP . 19.1 mt 52.78 21.61 2.0 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.502 1.126 . . . . 10.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 108.34 121.98 4.64 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.479 1.112 . . . . 10.0 111.021 -179.945 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 1.2 mttm -74.76 -48.23 26.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 0.797 . . . . 10.0 109.352 179.946 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 152.49 -45.28 0.6 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.475 1.109 . . . . 10.0 111.031 179.966 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -84.55 137.54 15.88 Favored Glycine 0 CA--C 1.529 0.953 0 N-CA-C 110.991 -0.844 . . . . 10.0 110.991 -179.982 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . 0.413 ' O ' ' CB ' ' A' ' 132' ' ' GLU . 0.5 OUTLIER -90.15 89.66 7.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 0.747 . . . . 10.0 109.318 -179.999 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.413 ' CB ' ' O ' ' A' ' 131' ' ' ASN . 0.8 OUTLIER 166.94 41.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 10.0 110.247 -179.978 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -177.84 -65.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 10.0 110.279 179.928 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 72.1 p -85.84 -22.43 27.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 10.0 110.036 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . 0.439 ' O ' ' N ' ' A' ' 71' ' ' HIS . 2.4 p -77.21 -14.52 59.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 10.0 110.375 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 18.9 mtmt -109.33 -32.98 6.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 10.0 109.317 -179.982 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . 0.444 ' OG1' ' N ' ' A' ' 138' ' ' GLY . 69.4 p -138.89 -94.32 0.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 10.0 110.381 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . 0.444 ' N ' ' OG1' ' A' ' 137' ' ' THR . . . -177.09 34.93 0.08 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.512 1.132 . . . . 10.0 111.001 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . 0.405 ' O ' ' HB2' ' A' ' 140' ' ' ALA . 44.9 t30 44.32 26.91 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 0.767 . . . . 10.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.692 ' HB1' ' HB2' ' A' ' 122' ' ' LYS . . . -179.47 40.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 10.0 109.273 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -93.81 89.1 1.26 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.522 1.139 . . . . 10.0 110.984 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . 0.624 ' HB3' HD12 ' A' ' 144' ' ' LEU . 5.2 t -89.0 -9.68 50.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 0.758 . . . . 10.0 109.976 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 142' ' ' SER . 0.0 OUTLIER 37.02 88.53 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 10.0 110.319 -179.999 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.799 ' N ' HD13 ' A' ' 144' ' ' LEU . 0.0 OUTLIER -117.57 161.56 19.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 10.0 109.316 179.995 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . 0.422 ' HB2' ' CG1' ' A' ' 14' ' ' VAL . . . 59.96 173.16 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 10.0 109.324 -179.939 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 146' ' ' CYS . . . . . 0.578 ' HB2' HG23 ' A' ' 116' ' ' THR . 26.6 p -156.23 67.85 0.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 10.0 108.285 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . 0.753 ' O ' ' HB1' ' A' ' 6' ' ' ALA . . . -67.56 61.94 0.29 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.498 1.124 . . . . 10.0 110.999 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.421 ' N ' ' O ' ' A' ' 146' ' ' CYS . 2.4 t -59.35 132.36 24.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.52 0.776 . . . . 10.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 149' ' ' ILE . . . . . 0.601 HG22 ' HB1' ' A' ' 4' ' ' ALA . 11.7 mm -75.45 106.34 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 10.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -119.39 137.59 12.7 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.536 1.147 . . . . 10.0 111.002 -179.962 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . 0.773 HD11 HD11 ' A' ' 113' ' ' ILE . 27.0 mm -58.56 148.54 6.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 0.771 . . . . 10.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . 0.487 ' HB3' ' CG2' ' A' ' 5' ' ' VAL . . . -147.32 168.94 20.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 10.0 109.332 -179.95 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 10.0 110.317 -179.992 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.32 -0.622 . . . . 10.0 109.32 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 83.9 m -155.02 86.31 1.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 10.0 110.404 179.959 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.439 ' HA ' ' O ' ' A' ' 20' ' ' PHE . 32.4 tttt -107.62 134.7 50.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 10.0 109.261 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.928 ' HB3' ' HB2' ' A' ' 20' ' ' PHE . . . -107.84 163.3 13.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 10.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.521 HG23 ' CB ' ' A' ' 152' ' ' ALA . 2.4 t -135.07 153.39 34.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 10.0 109.263 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.658 ' HB1' ' C ' ' A' ' 147' ' ' GLY . . . -155.66 89.0 1.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 10.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.472 ' O ' HG13 ' A' ' 7' ' ' VAL . 8.9 p -83.39 107.31 14.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 10.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.516 HD22 ' HA3' ' A' ' 147' ' ' GLY . 0.2 OUTLIER -54.83 137.64 44.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 10.0 109.313 179.988 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.3 tptm -173.14 128.87 0.46 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 10.0 109.32 179.955 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 179.08 -81.62 0.06 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.446 1.091 . . . . 10.0 111.021 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -44.38 -47.94 9.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 0.765 . . . . 10.0 109.325 179.967 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 134.32 -57.33 0.7 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.514 1.134 . . . . 10.0 111.016 -179.966 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -22.23 15.1 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.509 1.794 . . . . 10.0 110.999 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.5 ' O ' ' CG1' ' A' ' 14' ' ' VAL . 0.4 OUTLIER -88.32 116.04 29.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 10.0 109.326 -179.996 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.78 45.69 2.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 10.0 110.309 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.464 ' CA ' ' HA ' ' A' ' 35' ' ' ILE . . . -53.91 166.55 1.98 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.452 1.095 . . . . 10.0 111.017 179.959 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 31.7 mt -139.54 106.22 2.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.484 0.755 . . . . 10.0 109.346 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.778 ' C ' HD13 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -128.69 130.76 68.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 10.0 109.279 -179.972 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.562 ' N ' HD13 ' A' ' 18' ' ' ILE . 1.1 m-20 -123.59 170.9 9.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 10.0 109.274 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.928 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 21.5 m-85 -124.81 123.61 40.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.088 . . . . 10.0 110.953 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.401 ' O ' ' N ' ' A' ' 30' ' ' LYS . 1.3 tt0 -111.02 132.13 54.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 10.0 110.305 179.961 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.835 ' HG3' HG22 ' A' ' 29' ' ' VAL . 2.6 tt0 -155.21 78.73 1.03 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 10.0 110.323 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 54.4 mttt -81.08 64.94 6.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 10.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.491 ' O ' ' CB ' ' A' ' 25' ' ' SER . 0.3 OUTLIER -154.63 -48.15 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 10.0 110.288 -180.0 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 1.9 t 85.15 -10.18 0.81 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 10.0 110.021 -179.978 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 18.1 p-10 -157.37 26.17 0.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 10.0 109.26 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -126.17 -152.79 8.21 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.496 1.123 . . . . 10.0 110.997 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.464 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 18.2 Cg_endo -74.98 163.07 36.1 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.541 1.811 . . . . 10.0 110.997 -179.958 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.835 HG22 ' HG3' ' A' ' 22' ' ' GLN . 41.6 t -125.69 108.81 20.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 10.0 109.349 179.966 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.401 ' N ' ' O ' ' A' ' 21' ' ' GLU . 27.8 mttt -75.44 93.11 2.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 10.0 109.295 -179.95 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.575 HG22 ' CD2' ' A' ' 20' ' ' PHE . 16.6 t -90.01 128.82 41.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 10.0 109.326 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 8.0 p90 -157.02 154.67 29.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 10.0 107.981 179.964 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.413 ' O ' ' HA ' ' A' ' 96' ' ' ASP . . . -169.3 -169.62 32.85 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.498 1.124 . . . . 10.0 110.976 -179.972 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 43.7 m -157.48 123.02 4.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 0.782 . . . . 10.0 109.979 -179.971 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.71 ' CD1' ' CE2' ' A' ' 45' ' ' PHE . 0.1 OUTLIER -84.84 164.4 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 10.0 109.329 179.974 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.491 ' CG ' ' O ' ' A' ' 35' ' ' ILE . 22.0 mtmt -156.55 112.91 3.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 10.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.433 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 128.45 -37.0 2.34 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.477 1.111 . . . . 10.0 110.962 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.651 HD13 HG21 ' A' ' 35' ' ' ILE . 0.2 OUTLIER -53.85 -169.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 0.748 . . . . 10.0 109.271 -179.944 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.429 ' OG1' ' NE2' ' A' ' 43' ' ' HIS . 23.8 p -131.21 141.24 50.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.112 . . . . 10.0 110.352 -179.947 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.804 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 0.2 OUTLIER -44.38 123.8 3.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 10.0 110.301 179.991 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 127.54 162.21 11.04 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.512 1.133 . . . . 10.0 111.02 179.992 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.901 ' O ' ' HB2' ' A' ' 123' ' ' ALA . 1.0 OUTLIER -47.14 145.32 2.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 0.768 . . . . 10.0 109.303 -179.993 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.58 ' CD2' HD23 ' A' ' 38' ' ' LEU . 14.1 m-70 -155.16 159.34 40.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 10.0 109.604 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.81 151.42 25.44 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.496 1.122 . . . . 10.0 110.956 179.99 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.71 ' CE2' ' CD1' ' A' ' 35' ' ' ILE . 0.1 OUTLIER 175.9 79.29 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 0.764 . . . . 10.0 110.992 179.994 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.7 ' HA ' HD13 ' A' ' 117' ' ' LEU . 3.8 p80 -172.46 175.16 3.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 10.0 109.56 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.731 HG11 ' HB3' ' A' ' 63' ' ' HIS . 41.7 t -68.18 84.49 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.125 . . . . 10.0 109.309 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -132.1 94.32 3.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.54 1.15 . . . . 10.0 109.619 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.466 ' HG3' HG21 ' A' ' 116' ' ' THR . 0.1 OUTLIER -133.49 82.01 1.96 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 10.0 110.308 -179.996 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -92.71 62.19 3.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 10.0 110.346 179.987 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 65.86 -97.85 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 10.0 110.343 -179.947 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.523 ' OD1' HG22 ' A' ' 54' ' ' THR . 1.3 t0 72.7 175.09 0.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 10.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -128.56 23.84 5.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 10.0 109.322 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.571 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 0.9 OUTLIER -130.45 116.65 18.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 10.0 110.433 -179.993 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.571 ' HB2' ' O ' ' A' ' 54' ' ' THR . . . 172.03 115.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 10.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -108.79 56.23 0.48 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.434 1.084 . . . . 10.0 111.016 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 1.334 ' SG ' ' SG ' ' A' ' 146' ' ' CYS . 0.0 OUTLIER -126.65 -157.44 0.8 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.299 -1.0 . . . . 10.0 108.299 179.979 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 71.5 p -89.72 -141.54 0.15 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 10.0 110.402 179.985 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -143.01 71.67 1.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 10.0 109.995 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.463 ' CB ' HG11 ' A' ' 148' ' ' VAL . . . -76.05 -65.03 0.96 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 10.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 137.24 121.59 2.04 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.467 1.104 . . . . 10.0 111.013 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 155.91 43.04 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.498 1.788 . . . . 10.0 111.036 179.962 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.731 ' HB3' HG11 ' A' ' 47' ' ' VAL . 8.1 t-160 -84.07 -72.45 0.46 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 10.0 109.624 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.565 ' CG ' ' O ' ' A' ' 63' ' ' HIS . 0.2 OUTLIER 159.16 -167.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 10.0 111.009 179.961 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -94.64 161.18 29.7 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 10.0 109.274 -179.943 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.586 ' HA ' ' CG1' ' A' ' 81' ' ' VAL . 18.2 Cg_endo -74.99 -28.7 8.95 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.503 1.791 . . . . 10.0 110.961 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.637 ' O ' HD13 ' A' ' 67' ' ' LEU . 0.8 OUTLIER 81.02 -8.89 1.38 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 10.0 109.31 -179.994 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.403 ' O ' ' HA ' ' A' ' 78' ' ' GLU . 4.5 m -107.58 -18.54 13.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 10.0 110.012 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.479 ' CZ ' ' HB3' ' A' ' 69' ' ' ARG . 5.4 mmm180 -70.34 58.55 0.18 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.559 1.162 . . . . 10.0 110.298 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.05 75.02 8.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 10.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.561 ' CE1' ' HA2' ' A' ' 129' ' ' GLY . 2.5 t-80 57.25 72.56 0.51 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 10.0 109.605 -179.976 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 158.93 -135.96 4.46 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.49 1.118 . . . . 10.0 111.017 -179.963 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.442 ' O ' ' O ' ' A' ' 78' ' ' GLU . . . 159.05 -107.75 0.33 Allowed Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.027 -0.829 . . . . 10.0 111.027 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.405 ' HD3' ' HA3' ' A' ' 73' ' ' GLY . 18.3 Cg_endo -75.05 51.34 2.78 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.467 1.772 . . . . 10.0 110.999 179.971 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 26.2 mmmt -111.53 -55.73 2.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 10.0 109.267 -179.987 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -130.44 -82.63 0.54 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 10.0 109.293 -179.964 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -125.87 1.54 7.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 10.0 110.282 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.442 ' O ' ' O ' ' A' ' 73' ' ' GLY . 1.3 mp0 -64.66 140.0 58.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 10.0 110.278 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.409 ' CZ ' ' O ' ' A' ' 79' ' ' ARG . 4.5 tmm_? 63.72 99.95 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 10.0 110.231 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 177.4 36.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 10.0 109.622 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.586 ' CG1' ' HA ' ' A' ' 66' ' ' PRO . 2.6 t -133.63 -44.83 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 10.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -146.58 -44.51 0.04 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.522 1.139 . . . . 10.0 111.002 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.453 ' OD1' ' N ' ' A' ' 85' ' ' GLY . 13.4 t0 -63.34 134.95 56.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 0.765 . . . . 10.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.429 ' O ' ' O ' ' A' ' 85' ' ' GLY . 0.2 OUTLIER -110.75 62.77 0.61 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 10.0 109.312 -179.998 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.453 ' N ' ' OD1' ' A' ' 83' ' ' ASP . . . 45.39 -174.06 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.503 1.127 . . . . 10.0 111.009 -179.948 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.413 ' OD1' ' CD2' ' A' ' 46' ' ' HIS . 6.3 m-20 -111.21 175.33 5.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 0.788 . . . . 10.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.6 HG12 ' H ' ' A' ' 88' ' ' THR . 2.7 t -127.31 174.04 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 10.0 109.245 -179.957 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.6 ' H ' HG12 ' A' ' 87' ' ' VAL . 90.3 m -123.9 149.58 45.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 10.0 110.394 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.804 ' HB3' ' HA ' ' A' ' 40' ' ' GLU . . . -84.88 167.6 15.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 10.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.439 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 12.6 t0 -80.29 -97.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 10.0 109.335 179.961 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.439 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 41.7 pttt -136.98 10.08 3.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 10.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -150.0 22.25 0.87 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 10.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.546 ' CA ' ' HB1' ' A' ' 89' ' ' ALA . . . 89.43 -30.78 5.47 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.538 1.148 . . . . 10.0 110.983 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.47 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 18.3 t -45.48 109.1 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.488 0.757 . . . . 10.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.578 ' HB3' ' HB ' ' A' ' 35' ' ' ILE . . . -111.04 116.61 31.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 10.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.413 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 3.4 p-10 -107.38 149.63 27.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 10.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 60.3 t -127.12 158.84 37.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 10.0 109.292 179.956 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 97.8 p -168.89 90.81 0.24 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 10.0 109.986 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 13.3 mt -126.39 147.54 31.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 10.0 109.343 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -129.77 89.29 2.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.118 . . . . 10.0 110.299 -179.951 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.464 ' O ' ' CB ' ' A' ' 28' ' ' PRO . 58.8 m-20 -95.75 160.55 14.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 10.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 44.2 p -119.64 -47.38 2.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 10.0 109.996 -179.997 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 40.2 t -44.91 -54.04 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 10.0 109.32 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.771 HD12 ' C ' ' A' ' 104' ' ' ILE . 1.7 pp -66.13 168.26 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 10.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.541 ' C ' HD12 ' A' ' 106' ' ' LEU . 0.0 OUTLIER -177.8 -175.67 0.52 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 10.0 109.974 179.967 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.541 HD12 ' C ' ' A' ' 105' ' ' SER . 5.8 mp -112.6 27.17 9.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 10.0 109.285 -179.94 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.406 ' O ' ' N ' ' A' ' 109' ' ' ASP . 16.9 m -97.62 161.91 13.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 10.0 110.015 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -65.65 74.97 0.1 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.536 1.148 . . . . 10.0 110.952 -179.978 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 107' ' ' SER . 2.0 m-20 173.31 -56.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 0.768 . . . . 10.0 109.28 179.947 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 52.8 m80 -109.0 13.47 24.65 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.542 1.151 . . . . 10.0 109.586 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 22.9 p -43.79 116.05 0.91 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 10.0 109.988 -179.977 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.471 ' CD1' ' CE2' ' A' ' 20' ' ' PHE . 1.1 pt -88.25 -14.32 9.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 10.0 109.258 -179.961 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 4.8 mt -55.9 132.81 19.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 10.0 109.316 179.953 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 111.48 5.38 26.22 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.48 1.112 . . . . 10.0 110.967 179.968 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.721 ' HB2' HD13 ' A' ' 149' ' ' ILE . 8.2 mtt85 -84.71 117.48 23.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 0.778 . . . . 10.0 110.33 179.951 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 1.001 HG23 HG23 ' A' ' 148' ' ' VAL . 5.5 m -97.88 86.8 3.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 10.0 110.374 -179.98 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.7 HD13 ' HA ' ' A' ' 46' ' ' HIS . 4.5 mm? -66.48 77.98 0.1 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 10.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.589 HG13 ' O ' ' A' ' 144' ' ' LEU . 91.7 t -81.49 142.35 13.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 10.0 109.335 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.604 HG22 ' HB3' ' A' ' 145' ' ' ALA . 33.1 m -107.58 156.59 8.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 10.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 36.9 m170 -104.55 147.51 27.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 10.0 109.548 -179.96 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.64 -26.42 63.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 10.0 110.314 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.514 ' C ' ' HB1' ' A' ' 140' ' ' ALA . 2.7 mmtt -142.28 168.44 19.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 10.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.901 ' HB2' ' O ' ' A' ' 42' ' ' LEU . . . -73.3 130.61 40.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 10.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 21.0 p-10 -60.19 -15.86 27.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 10.0 109.317 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 61.62 22.64 13.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 10.0 109.327 -179.976 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.3 mt 58.58 16.93 4.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.158 . . . . 10.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 96.09 128.36 5.66 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.554 1.159 . . . . 10.0 111.036 -179.949 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.62 -29.93 14.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 0.792 . . . . 10.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.561 ' HA2' ' CE1' ' A' ' 71' ' ' HIS . . . 119.95 2.48 12.59 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.512 1.133 . . . . 10.0 111.003 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 129' ' ' GLY . . . -57.74 -156.42 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.014 -0.834 . . . . 10.0 111.014 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . 0.427 ' O ' ' CB ' ' A' ' 132' ' ' GLU . 72.9 m-80 -152.59 127.52 9.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 0.758 . . . . 10.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.427 ' CB ' ' O ' ' A' ' 131' ' ' ASN . 4.3 tt0 80.71 -2.58 1.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 10.0 110.321 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -120.07 -52.71 2.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 10.0 110.317 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 5.9 p -80.78 -35.23 33.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.143 . . . . 10.0 110.029 179.924 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -61.12 -13.9 20.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 10.0 110.38 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 33.9 mttt -114.64 -52.44 2.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 10.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 37.4 p -123.34 -96.04 0.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 10.0 110.397 179.999 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . 0.408 ' C ' ' N ' ' A' ' 140' ' ' ALA . . . -171.64 35.95 0.16 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.549 1.156 . . . . 10.0 111.039 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 42.41 30.6 0.22 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 0.743 . . . . 10.0 109.334 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.514 ' HB1' ' C ' ' A' ' 122' ' ' LYS . . . -92.81 -60.94 1.69 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.488 1.118 . . . . 10.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -157.92 -108.69 0.27 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.517 1.136 . . . . 10.0 111.038 179.976 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.88 -160.41 1.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 0.774 . . . . 10.0 109.96 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . 0.57 ' HB3' HG11 ' A' ' 118' ' ' VAL . 0.3 OUTLIER -93.94 125.01 38.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 10.0 110.273 -179.964 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.589 ' O ' HG13 ' A' ' 118' ' ' VAL . 28.7 mt -136.51 153.68 50.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 10.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . 0.604 ' HB3' HG22 ' A' ' 119' ' ' VAL . . . 72.93 160.95 0.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 10.0 109.257 179.959 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 146' ' ' CYS . . . . . 1.334 ' SG ' ' SG ' ' A' ' 57' ' ' CYS . 7.2 p -154.37 63.76 0.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 10.0 108.272 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . 0.658 ' C ' ' HB1' ' A' ' 6' ' ' ALA . . . -75.78 61.49 2.89 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.512 1.132 . . . . 10.0 111.003 179.963 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 1.001 HG23 HG23 ' A' ' 116' ' ' THR . 2.3 t -70.15 138.45 22.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.452 0.737 . . . . 10.0 109.288 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 149' ' ' ILE . . . . . 0.823 HG23 ' HB1' ' A' ' 4' ' ' ALA . 4.4 mp -71.89 123.41 26.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 10.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -139.71 115.49 1.1 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.459 1.099 . . . . 10.0 111.031 179.962 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 21.4 mm -41.52 144.12 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.496 0.762 . . . . 10.0 109.309 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . 0.521 ' CB ' HG23 ' A' ' 5' ' ' VAL . . . -143.98 175.04 10.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 10.0 109.323 -179.978 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 3.8 pm0 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 10.0 110.326 179.945 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.473 ' N ' ' O ' ' A' ' 22' ' ' GLN . . . . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.32 -0.622 . . . . 10.0 109.32 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.435 HG22 HD12 ' A' ' 151' ' ' ILE . 0.0 OUTLIER -83.78 84.83 7.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 10.0 110.379 -179.992 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.83 105.16 16.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.091 . . . . 10.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 1.01 ' HB1' HG23 ' A' ' 149' ' ' ILE . . . -84.44 159.1 20.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 10.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.518 ' CG2' ' CB ' ' A' ' 152' ' ' ALA . 1.5 t -131.37 144.04 38.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 10.0 109.266 -179.959 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.929 ' HB3' ' CG1' ' A' ' 18' ' ' ILE . . . -151.1 88.76 1.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 10.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.677 HG23 ' O ' ' A' ' 7' ' ' VAL . 8.4 m -82.55 99.11 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 10.0 109.294 179.951 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.704 HD13 ' H ' ' A' ' 147' ' ' GLY . 3.4 mm? -48.87 140.83 8.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 10.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 26.3 tttt -176.44 140.8 0.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 10.0 109.293 -179.975 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 172.4 -71.01 0.11 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.458 1.099 . . . . 10.0 111.02 179.956 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -63.02 -59.98 4.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 0.752 . . . . 10.0 109.28 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.409 ' N ' ' CD ' ' A' ' 13' ' ' PRO . . . 155.98 -55.88 0.4 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.497 1.123 . . . . 10.0 111.03 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.412 ' O ' ' O ' ' A' ' 36' ' ' LYS . 18.4 Cg_endo -74.99 -31.65 6.05 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.521 1.801 . . . . 10.0 111.036 179.97 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.818 HG11 ' HB2' ' A' ' 145' ' ' ALA . 2.3 t -76.61 94.95 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 10.0 109.331 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.425 ' HA ' ' O ' ' A' ' 8' ' ' LEU . 0.3 OUTLIER -122.53 36.84 4.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 10.0 110.338 179.999 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.476 ' CA ' ' HB2' ' A' ' 8' ' ' LEU . . . -51.64 166.77 0.8 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.497 1.123 . . . . 10.0 110.995 -179.973 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.431 HG13 ' C ' ' A' ' 16' ' ' GLY . 60.6 mt -143.03 111.48 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 0.765 . . . . 10.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.938 HD11 HD11 ' A' ' 149' ' ' ILE . 0.5 OUTLIER -105.89 161.1 5.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 10.0 109.336 179.972 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.853 ' N ' HD12 ' A' ' 18' ' ' ILE . 0.1 OUTLIER -152.21 120.6 6.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 10.0 109.332 179.996 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.938 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 2.7 m-30 -103.94 106.61 17.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 10.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -96.71 150.12 21.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 10.0 110.32 179.983 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.473 ' O ' ' N ' ' A' ' 1' ' ' ALA . 47.4 tt0 -137.37 65.15 1.5 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 10.0 110.305 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.6 mttt -76.35 56.62 1.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 10.0 109.27 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -155.46 172.16 18.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 10.0 110.32 179.958 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.7 m -71.11 56.5 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 10.0 110.001 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 63.55 30.59 15.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 10.0 109.292 179.979 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -88.47 -113.57 1.2 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.497 1.123 . . . . 10.0 111.028 179.965 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.453 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 18.1 Cg_endo -75.04 166.15 29.76 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.547 1.814 . . . . 10.0 110.951 -179.97 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.685 HG21 ' CD1' ' A' ' 106' ' ' LEU . 21.2 t -128.96 107.55 15.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 10.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.26 96.08 0.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 10.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.852 HG13 ' CE1' ' A' ' 20' ' ' PHE . 32.5 t -84.81 134.24 27.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 10.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -168.03 162.28 13.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 10.0 107.998 179.962 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.415 ' O ' ' HA ' ' A' ' 96' ' ' ASP . . . 175.62 -170.57 43.59 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.513 1.133 . . . . 10.0 110.993 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.2 t -155.62 118.75 4.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 0.741 . . . . 10.0 110.008 179.969 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.688 HG21 HD13 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -84.07 165.43 2.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.121 . . . . 10.0 109.301 179.998 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.488 ' N ' HG23 ' A' ' 35' ' ' ILE . 35.0 mttt -155.49 115.07 3.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 10.0 109.33 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.455 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 133.44 -43.02 1.31 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.447 1.092 . . . . 10.0 111.024 -179.983 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.688 HD13 HG21 ' A' ' 35' ' ' ILE . 0.2 OUTLIER -52.76 -170.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 0.767 . . . . 10.0 109.283 -179.982 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.435 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 43.4 p -126.34 149.86 48.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 10.0 110.413 -179.954 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.8 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 0.2 OUTLIER -54.65 124.86 17.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.15 . . . . 10.0 110.283 -179.998 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 131.13 -179.51 16.95 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.519 1.137 . . . . 10.0 111.04 -179.988 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.822 HD23 ' ND2' ' A' ' 86' ' ' ASN . 4.6 mp -64.04 140.09 58.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 0.771 . . . . 10.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.435 ' CD2' ' O ' ' A' ' 39' ' ' THR . 75.4 m-70 -152.28 173.99 14.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 10.0 109.599 179.975 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.77 158.08 23.21 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.474 1.109 . . . . 10.0 110.993 179.978 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.561 ' CE1' ' HB3' ' A' ' 117' ' ' LEU . 73.1 t80 178.12 87.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 0.791 . . . . 10.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.487 ' HA ' HD13 ' A' ' 117' ' ' LEU . 0.0 OUTLIER -154.51 166.4 33.42 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.507 1.129 . . . . 10.0 109.606 179.983 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.571 HG13 ' H ' ' A' ' 116' ' ' THR . 41.9 t -76.0 169.58 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.103 . . . . 10.0 109.316 -179.957 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.542 ' N ' HG12 ' A' ' 47' ' ' VAL . 0.0 OUTLIER -149.23 145.23 27.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 10.0 109.585 -179.967 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.85 -59.01 2.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 10.0 110.329 179.975 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -175.42 176.8 1.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 10.0 110.303 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -169.22 -77.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 10.0 110.251 -179.98 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.04 173.48 7.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 10.0 109.281 -179.955 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -101.04 57.13 0.86 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 10.0 109.295 179.972 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.552 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 10.8 t -108.89 -44.03 4.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 10.0 110.388 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.552 ' HB3' ' O ' ' A' ' 54' ' ' THR . . . 74.31 115.93 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 10.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -106.17 -47.68 1.06 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.534 1.146 . . . . 10.0 110.978 -179.974 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 55.9 m -141.58 -89.98 0.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.346 -0.983 . . . . 10.0 108.346 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.497 ' O ' ' CB ' ' A' ' 59' ' ' SER . 40.1 p -136.29 -149.13 0.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 10.0 110.364 -180.0 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 58' ' ' THR . 1.0 OUTLIER 160.21 91.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 10.0 110.015 -179.99 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -157.49 80.04 0.88 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 10.0 109.284 179.985 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.499 ' N ' ' CD ' ' A' ' 62' ' ' PRO . . . 161.58 -51.41 0.33 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.512 1.132 . . . . 10.0 110.966 179.951 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.499 ' CD ' ' N ' ' A' ' 61' ' ' GLY . 18.5 Cg_endo -74.92 155.79 43.31 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.482 1.78 . . . . 10.0 110.997 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.431 ' O ' ' CG ' ' A' ' 63' ' ' HIS . 16.8 t-160 -152.51 51.42 0.77 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 10.0 109.647 179.945 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.749 ' HB2' HG21 ' A' ' 81' ' ' VAL . 0.4 OUTLIER -161.15 -174.29 4.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 10.0 111.011 179.989 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -88.34 150.71 47.41 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.502 1.126 . . . . 10.0 109.256 -179.965 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.455 ' O ' ' CE1' ' A' ' 46' ' ' HIS . 18.3 Cg_endo -75.02 59.0 5.09 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.504 1.791 . . . . 10.0 110.992 179.965 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.511 ' CD1' ' O ' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -160.79 27.55 0.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 10.0 109.32 179.97 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.474 ' HB3' ' N ' ' A' ' 79' ' ' ARG . 2.9 m 51.0 45.4 27.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 10.0 110.029 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.57 ' O ' ' CG ' ' A' ' 70' ' ' LYS . 0.4 OUTLIER 80.65 -47.3 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 10.0 110.311 -179.966 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.57 ' CG ' ' O ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER 92.7 173.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 10.0 109.348 -179.959 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.596 ' CG ' ' O ' ' A' ' 71' ' ' HIS . 0.0 OUTLIER 64.56 97.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 10.0 109.594 -179.988 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -130.45 -116.48 1.84 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.537 1.148 . . . . 10.0 110.999 179.97 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.596 ' N ' ' CD ' ' A' ' 74' ' ' PRO . . . 150.62 -45.35 0.66 Allowed Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.03 -0.828 . . . . 10.0 111.03 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.596 ' CD ' ' N ' ' A' ' 73' ' ' GLY . 18.2 Cg_endo -75.08 60.66 5.55 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.493 1.786 . . . . 10.0 110.974 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.1 tptt 55.87 31.61 18.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 10.0 109.32 -179.99 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.442 ' CB ' HD12 ' A' ' 126' ' ' LEU . 0.0 OUTLIER 73.5 95.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 10.0 109.281 179.959 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.432 ' CB ' ' HG2' ' A' ' 74' ' ' PRO . 0.3 OUTLIER -127.74 3.4 6.07 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 10.0 110.281 -179.981 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.484 ' O ' ' CB ' ' A' ' 79' ' ' ARG . 0.1 OUTLIER -47.48 175.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 10.0 110.314 179.971 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.484 ' CB ' ' O ' ' A' ' 78' ' ' GLU . 0.0 OUTLIER 158.35 157.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 10.0 110.321 -179.993 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.523 ' CG ' ' HD2' ' A' ' 69' ' ' ARG . 0.1 OUTLIER 171.53 -33.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 10.0 109.564 -179.978 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.749 HG21 ' HB2' ' A' ' 64' ' ' PHE . 25.3 t -122.54 -66.4 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 10.0 109.294 -179.96 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.417 ' O ' ' CB ' ' A' ' 83' ' ' ASP . . . -73.33 -42.74 41.02 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.522 1.139 . . . . 10.0 111.019 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.417 ' CB ' ' O ' ' A' ' 82' ' ' GLY . 0.2 OUTLIER 75.96 165.93 0.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 0.776 . . . . 10.0 109.287 179.976 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.866 HD13 HG12 ' A' ' 87' ' ' VAL . 0.1 OUTLIER 70.11 105.52 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 10.0 109.256 179.98 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -41.72 -73.08 0.23 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.526 1.141 . . . . 10.0 110.978 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.822 ' ND2' HD23 ' A' ' 42' ' ' LEU . 1.1 t30 -145.7 151.49 38.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 0.749 . . . . 10.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.866 HG12 HD13 ' A' ' 84' ' ' LEU . 3.1 m -108.78 162.75 6.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 10.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 6.0 m -124.97 141.97 51.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 10.0 110.432 179.947 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.8 ' HB3' ' HA ' ' A' ' 40' ' ' GLU . . . -85.32 172.61 10.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 10.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.459 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 6.3 t0 -82.35 -95.7 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 10.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.459 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 58.6 pttt -139.04 11.67 2.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 10.0 109.331 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -154.66 24.18 0.46 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 10.0 109.354 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.517 ' CA ' ' HB1' ' A' ' 89' ' ' ALA . . . 89.71 -32.0 5.0 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.46 1.1 . . . . 10.0 110.993 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.487 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 20.4 t -40.73 98.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 0.765 . . . . 10.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 93' ' ' GLY . . . -106.31 116.75 32.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 10.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.415 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 4.4 p-10 -108.93 151.82 25.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 10.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.415 HG12 ' N ' ' A' ' 98' ' ' SER . 44.1 t -120.3 161.94 19.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 10.0 109.29 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.415 ' N ' HG12 ' A' ' 97' ' ' VAL . 18.5 p -170.81 86.58 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 10.0 109.981 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 28.1 mt -134.29 153.87 36.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 10.0 109.275 -179.972 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -128.33 91.45 3.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 10.0 110.32 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.453 ' O ' ' CB ' ' A' ' 28' ' ' PRO . 0.3 OUTLIER -91.88 147.87 22.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 10.0 109.346 179.996 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 10.8 p -125.37 8.76 7.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 10.0 109.977 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 5.5 t -89.45 -53.14 9.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.158 . . . . 10.0 109.344 179.957 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.786 HD12 ' C ' ' A' ' 104' ' ' ILE . 1.7 pp -70.06 178.3 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 10.0 109.249 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.87 161.19 36.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 10.0 110.024 179.977 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.685 ' CD1' HG21 ' A' ' 29' ' ' VAL . 7.4 mp -83.59 -39.38 20.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 10.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -149.69 113.1 4.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 10.0 109.973 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 173.53 -73.7 0.09 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.446 1.091 . . . . 10.0 111.038 -179.995 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -142.28 -47.35 0.34 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 0.752 . . . . 10.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 26.6 m80 -99.5 47.81 0.95 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 10.0 109.632 179.977 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 92.2 p -48.18 117.5 1.97 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 10.0 110.026 -179.956 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.461 ' CG2' ' HB ' ' A' ' 104' ' ' ILE . 2.2 pp -92.76 -26.28 4.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 10.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.654 HD11 HD23 ' A' ' 106' ' ' LEU . 37.5 mm -40.0 104.93 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 10.0 109.25 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 121.91 36.26 0.73 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.483 1.115 . . . . 10.0 110.972 179.949 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.565 HH11 HG21 ' A' ' 47' ' ' VAL . 0.1 OUTLIER -84.58 105.52 15.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 0.747 . . . . 10.0 110.33 179.984 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.739 ' O ' HG23 ' A' ' 118' ' ' VAL . 11.1 m -90.13 64.9 6.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 10.0 110.348 -179.947 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.561 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 3.9 mm? -51.42 107.14 0.17 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.464 1.103 . . . . 10.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 1.013 HG22 ' O ' ' A' ' 145' ' ' ALA . 70.0 t -111.62 134.68 53.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 10.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 11.4 m -93.69 135.35 28.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 10.0 109.309 179.983 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.557 ' CE1' ' HA2' ' A' ' 141' ' ' GLY . 0.0 OUTLIER -84.98 146.84 27.01 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.134 . . . . 10.0 109.64 179.982 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.533 ' CG ' ' CB ' ' A' ' 142' ' ' SER . 0.1 OUTLIER -33.79 -50.11 0.35 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.098 . . . . 10.0 110.317 -179.983 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.504 ' H ' ' HB1' ' A' ' 140' ' ' ALA . 0.3 OUTLIER -135.88 -162.23 1.25 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 10.0 109.272 179.946 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.607 ' HB2' ' C ' ' A' ' 42' ' ' LEU . . . -84.38 -175.25 5.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 10.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -136.62 79.07 1.74 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 10.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . 0.403 ' O ' ' OD1' ' A' ' 76' ' ' ASP . 0.3 OUTLIER -61.0 -27.92 68.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 10.0 109.282 179.987 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.861 HD23 ' HA ' ' A' ' 135' ' ' THR . 1.9 mt 61.71 14.88 6.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 10.0 109.307 -179.966 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . 0.429 ' O ' ' N ' ' A' ' 130' ' ' GLY . . . -125.6 -76.13 0.26 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.44 1.088 . . . . 10.0 111.014 179.969 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 40.75 35.03 0.29 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 0.768 . . . . 10.0 109.277 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 52.37 46.19 57.89 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.504 1.127 . . . . 10.0 110.99 179.96 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 127' ' ' GLY . . . -174.92 175.78 47.05 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.029 -0.829 . . . . 10.0 111.029 -179.983 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . 0.513 ' O ' ' CB ' ' A' ' 132' ' ' GLU . 2.4 m-80 -151.36 105.02 3.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 0.801 . . . . 10.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.513 ' CB ' ' O ' ' A' ' 131' ' ' ASN . 2.4 mt-10 160.05 -25.51 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 10.0 110.322 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.31 -69.79 0.84 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 10.0 110.264 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . 0.512 ' HA ' ' CA ' ' A' ' 138' ' ' GLY . 0.0 OUTLIER -65.59 -40.78 93.08 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.491 1.119 . . . . 10.0 110.012 -179.983 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . 0.861 ' HA ' HD23 ' A' ' 126' ' ' LEU . 0.7 OUTLIER -69.23 -4.72 18.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 10.0 110.375 179.987 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -105.17 -51.29 3.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 10.0 109.316 -179.99 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . 0.5 ' O ' ' CD2' ' A' ' 67' ' ' LEU . 50.3 p -122.83 -34.37 3.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.137 . . . . 10.0 110.395 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . 0.512 ' CA ' ' HA ' ' A' ' 134' ' ' SER . . . 113.9 17.55 7.32 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.452 1.095 . . . . 10.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . 0.442 ' O ' ' ND2' ' A' ' 139' ' ' ASN . 13.3 t30 59.72 71.12 0.59 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 0.761 . . . . 10.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.504 ' HB1' ' H ' ' A' ' 122' ' ' LYS . . . -172.43 -68.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 10.0 109.315 -179.962 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . 0.557 ' HA2' ' CE1' ' A' ' 120' ' ' HIS . . . 49.83 105.24 0.01 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.527 1.142 . . . . 10.0 111.0 179.983 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . 0.575 ' O ' HD23 ' A' ' 144' ' ' LEU . 0.4 OUTLIER 178.91 94.56 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.442 0.731 . . . . 10.0 109.979 179.994 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . 1.009 ' HG2' HG11 ' A' ' 118' ' ' VAL . 1.0 OUTLIER -77.46 111.05 12.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 10.0 110.308 179.975 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.688 ' O ' HG13 ' A' ' 118' ' ' VAL . 0.4 OUTLIER -142.88 146.44 34.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 10.0 109.315 179.979 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . 1.013 ' O ' HG22 ' A' ' 118' ' ' VAL . . . 79.49 143.38 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 10.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 146' ' ' CYS . . . . . 0.546 ' HB2' HG23 ' A' ' 116' ' ' THR . 6.5 p -155.46 58.26 0.63 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 10.0 108.291 179.975 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . 0.704 ' H ' HD13 ' A' ' 8' ' ' LEU . . . -36.2 -52.84 1.28 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.462 1.101 . . . . 10.0 111.023 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.581 HG23 HG23 ' A' ' 116' ' ' THR . 4.1 t 63.94 127.86 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.499 0.764 . . . . 10.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 149' ' ' ILE . . . . . 1.01 HG23 ' HB1' ' A' ' 4' ' ' ALA . 21.5 mm -85.83 128.01 39.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 10.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -140.82 113.42 0.86 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.501 1.125 . . . . 10.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . 0.539 HD11 HD23 ' A' ' 106' ' ' LEU . 16.2 mm -41.18 139.61 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.522 0.778 . . . . 10.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . 0.518 ' CB ' ' CG2' ' A' ' 5' ' ' VAL . . . -137.03 165.73 25.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 10.0 109.339 179.955 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 10.0 110.268 -179.959 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.559 ' H1 ' ' HG2' ' A' ' 23' ' ' LYS . . . . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.253 -0.647 . . . . 10.0 109.253 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.979 HG22 HD12 ' A' ' 151' ' ' ILE . 1.8 m -102.54 97.96 8.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 10.0 110.4 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.15 139.98 30.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 10.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.998 ' HB3' ' HB2' ' A' ' 20' ' ' PHE . . . -122.63 162.81 21.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.137 . . . . 10.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.463 HG23 ' HB2' ' A' ' 152' ' ' ALA . 2.4 t -131.46 151.67 35.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 10.0 109.301 179.954 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.628 ' HB3' HG23 ' A' ' 18' ' ' ILE . . . -155.9 88.8 1.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 10.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 7' ' ' VAL . 10.1 m -88.79 112.14 23.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 10.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.676 HD23 ' N ' ' A' ' 8' ' ' LEU . 0.3 OUTLIER -62.79 117.83 6.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 10.0 109.313 179.99 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -150.32 112.19 4.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 10.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.455 ' O ' ' C ' ' A' ' 11' ' ' ASP . . . -167.21 -103.67 0.17 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.521 1.138 . . . . 10.0 110.986 179.947 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.717 ' OD2' HD22 ' A' ' 144' ' ' LEU . 39.6 t0 -35.86 -46.72 0.47 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 0.779 . . . . 10.0 109.34 -179.97 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 134.69 -63.03 0.61 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.499 1.124 . . . . 10.0 111.022 179.962 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.478 ' C ' HG23 ' A' ' 14' ' ' VAL . 18.2 Cg_endo -75.02 46.02 1.46 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.458 1.767 . . . . 10.0 111.004 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.478 HG23 ' C ' ' A' ' 13' ' ' PRO . 50.5 t -155.11 59.72 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 10.0 109.329 -180.0 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -90.29 53.28 2.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 10.0 110.312 -179.985 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.474 ' CA ' ' HA ' ' A' ' 35' ' ' ILE . . . -74.55 151.66 43.48 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.471 1.107 . . . . 10.0 111.015 179.979 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 91.6 mt -126.9 96.91 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.479 0.753 . . . . 10.0 109.324 -179.986 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.628 HG23 ' HB3' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -115.24 150.24 17.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 10.0 109.312 -179.999 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.428 ' OD1' ' C ' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -140.87 169.57 17.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 10.0 109.316 179.996 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.998 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 6.5 m-85 -123.19 143.08 50.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.095 . . . . 10.0 111.021 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -131.45 139.68 49.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 10.0 110.299 -179.973 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -151.45 88.48 1.43 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.561 1.163 . . . . 10.0 110.311 179.988 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.559 ' HG2' ' H1 ' ' A' ' 1' ' ' ALA . 0.1 OUTLIER -87.77 42.57 1.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 10.0 109.29 179.999 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.402 ' HB3' ' N ' ' A' ' 27' ' ' GLY . 7.6 mm-40 -155.51 142.41 19.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.562 1.164 . . . . 10.0 110.299 -179.976 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.86 -2.34 58.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 10.0 109.984 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -163.63 35.08 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 10.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.402 ' N ' ' HB3' ' A' ' 24' ' ' GLU . . . -119.27 -167.86 13.84 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.461 1.101 . . . . 10.0 111.004 179.963 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.479 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 18.3 Cg_endo -75.02 176.59 9.71 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.494 1.786 . . . . 10.0 111.003 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 49.1 t -125.02 103.56 12.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 10.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -69.63 96.0 0.91 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 10.0 109.268 -179.97 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 98.3 t -97.53 142.43 14.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 10.0 109.298 179.975 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 7.1 p90 -161.03 149.49 16.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 10.0 108.023 179.989 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.442 ' CA ' ' HA ' ' A' ' 18' ' ' ILE . . . -163.46 -169.64 27.22 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.546 1.153 . . . . 10.0 110.963 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.9 m -157.78 121.47 4.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 0.775 . . . . 10.0 110.034 -179.995 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.643 ' HB ' ' HB3' ' A' ' 95' ' ' ALA . 0.4 OUTLIER -84.79 167.42 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 10.0 109.29 -179.964 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.51 ' N ' HG23 ' A' ' 35' ' ' ILE . 27.8 mttt -155.78 114.61 3.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 10.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.439 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 132.35 -43.94 1.24 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.498 1.124 . . . . 10.0 111.053 -179.966 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 1.111 HD22 ' CE1' ' A' ' 43' ' ' HIS . 0.3 OUTLIER -55.54 -164.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 0.753 . . . . 10.0 109.333 179.988 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.9 p -142.7 153.06 43.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 10.0 110.417 179.985 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.895 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 0.6 OUTLIER -51.94 122.33 8.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 10.0 110.292 179.998 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 146.33 158.34 7.72 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.455 1.097 . . . . 10.0 111.012 179.97 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.525 ' C ' ' HB2' ' A' ' 123' ' ' ALA . 0.8 OUTLIER -62.07 137.88 58.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 0.764 . . . . 10.0 109.278 -179.94 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 1.111 ' CE1' HD22 ' A' ' 38' ' ' LEU . 23.3 m170 -123.09 162.54 22.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 10.0 109.654 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.578 ' HA3' ' CD2' ' A' ' 120' ' ' HIS . . . -56.01 -169.45 0.08 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.525 1.141 . . . . 10.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.653 ' CZ ' ' NH2' ' A' ' 69' ' ' ARG . 14.1 m-85 -104.23 154.13 20.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 0.753 . . . . 10.0 110.962 -179.974 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.549 ' CG ' HD13 ' A' ' 117' ' ' LEU . 5.0 m-70 -72.99 173.85 8.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 10.0 109.595 179.965 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.432 HG12 ' HB2' ' A' ' 64' ' ' PHE . 5.6 t 59.04 117.61 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 10.0 109.296 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.458 ' ND1' ' O ' ' A' ' 48' ' ' HIS . 0.0 OUTLIER -165.4 124.72 1.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 10.0 109.599 -179.983 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -109.16 -164.51 0.94 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 10.0 110.326 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 76.42 100.75 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 10.0 110.298 -179.997 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 174.79 -163.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 10.0 110.314 179.993 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.435 ' O ' ' ND2' ' A' ' 53' ' ' ASN . 24.4 t0 177.23 126.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.088 . . . . 10.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.435 ' ND2' ' O ' ' A' ' 52' ' ' ASP . 2.4 m-80 74.74 76.92 0.11 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 10.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.531 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 9.8 t -95.06 -50.3 5.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 10.0 110.431 179.972 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.531 ' HB3' ' O ' ' A' ' 54' ' ' THR . . . 73.55 -58.77 0.58 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 10.0 109.271 179.948 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.453 ' O ' ' CB ' ' A' ' 57' ' ' CYS . . . -81.33 64.36 4.18 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.529 1.143 . . . . 10.0 111.014 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.453 ' CB ' ' O ' ' A' ' 56' ' ' GLY . 0.6 OUTLIER 162.11 154.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.333 -0.988 . . . . 10.0 108.333 -179.992 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -100.45 -9.08 22.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 10.0 110.379 -179.956 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 49.3 m 52.03 79.54 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 10.0 110.036 -179.96 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.416 ' HB2' HG11 ' A' ' 148' ' ' VAL . . . -61.49 -81.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 10.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -155.41 75.11 0.23 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.5 1.125 . . . . 10.0 111.018 -179.982 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 118.23 5.18 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.442 1.759 . . . . 10.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -130.46 81.02 1.98 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 10.0 109.559 -179.977 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.629 ' HA ' HG21 ' A' ' 81' ' ' VAL . 55.2 t80 -150.7 111.0 4.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 10.0 111.012 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -101.21 148.57 35.32 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 10.0 109.277 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 62.16 5.78 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.477 1.777 . . . . 10.0 111.049 179.952 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -174.75 35.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 10.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.556 ' HB3' HG23 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -103.22 -63.59 1.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 10.0 109.996 179.975 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.653 ' NH2' ' CZ ' ' A' ' 45' ' ' PHE . 0.1 OUTLIER -93.0 65.47 4.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 10.0 110.293 -179.997 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.469 ' O ' ' CD2' ' A' ' 71' ' ' HIS . 0.9 OUTLIER -46.74 95.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 10.0 109.299 179.994 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.538 ' CG ' ' O ' ' A' ' 71' ' ' HIS . 10.3 p80 42.36 88.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 10.0 109.577 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -119.24 -125.46 3.38 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.499 1.124 . . . . 10.0 110.952 -179.984 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 144.73 -140.29 9.11 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.995 -0.842 . . . . 10.0 110.995 -179.97 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -42.41 0.51 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.484 1.781 . . . . 10.0 110.979 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp -58.74 -28.5 65.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 10.0 109.268 -179.967 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 58.63 92.85 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.547 1.154 . . . . 10.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -111.8 -16.42 13.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 10.0 110.333 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.529 ' O ' ' CB ' ' A' ' 79' ' ' ARG . 0.9 OUTLIER -148.76 160.81 42.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 10.0 110.301 179.989 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.529 ' CB ' ' O ' ' A' ' 78' ' ' GLU . 0.0 OUTLIER 155.9 89.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 10.0 110.285 -179.994 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 56.9 t-80 -77.96 -21.99 50.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 10.0 109.586 179.99 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.629 HG21 ' HA ' ' A' ' 64' ' ' PHE . 63.3 t -95.29 -94.79 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 10.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.548 ' N ' HG12 ' A' ' 81' ' ' VAL . . . -171.1 44.81 0.19 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.454 1.096 . . . . 10.0 111.026 179.968 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -39.89 -57.43 1.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 0.755 . . . . 10.0 109.254 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 80.55 -73.07 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 10.0 109.336 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 168.75 167.42 29.36 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.476 1.11 . . . . 10.0 110.993 179.955 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 11.3 p30 -83.64 137.83 33.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 0.745 . . . . 10.0 109.333 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.523 HG11 ' NE2' ' A' ' 46' ' ' HIS . 16.0 m -94.2 170.45 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 10.0 109.324 -179.976 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 6.4 m -143.0 151.13 40.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.113 . . . . 10.0 110.421 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.895 ' HB3' ' HA ' ' A' ' 40' ' ' GLU . . . -84.28 164.1 19.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.157 . . . . 10.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.453 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 12.5 t0 -72.8 -96.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.433 1.083 . . . . 10.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.453 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 12.9 ptpt -137.13 10.01 3.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 10.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -158.34 25.7 0.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 10.0 109.344 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.599 ' CA ' ' HB1' ' A' ' 89' ' ' ALA . . . 96.77 -41.71 2.32 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.501 1.126 . . . . 10.0 111.042 -179.959 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.463 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 22.8 t -39.3 96.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.501 0.765 . . . . 10.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.643 ' HB3' ' HB ' ' A' ' 35' ' ' ILE . . . -95.27 113.7 25.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 10.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.423 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 1.4 t70 -100.33 145.89 27.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 10.0 109.266 -179.961 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.532 HG13 HD12 ' A' ' 99' ' ' ILE . 54.1 t -117.55 156.02 19.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 10.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 70.5 p -177.56 84.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 10.0 109.983 179.992 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.532 HD12 HG13 ' A' ' 97' ' ' VAL . 1.7 mp -129.96 147.93 33.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 10.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -121.28 91.08 3.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 10.0 110.304 180.0 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.479 ' O ' ' CB ' ' A' ' 28' ' ' PRO . 0.4 OUTLIER -92.44 133.33 36.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 10.0 109.301 -179.964 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.422 ' CA ' ' HB3' ' A' ' 28' ' ' PRO . 98.1 p -115.81 41.19 2.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 10.0 110.018 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 50.6 t -126.73 -58.65 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 10.0 109.266 -179.91 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.73 HD12 ' C ' ' A' ' 104' ' ' ILE . 1.7 pp -52.56 176.38 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 10.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -145.31 145.79 31.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 10.0 110.028 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -52.38 -57.5 9.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 10.0 109.284 -179.972 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.42 84.47 0.98 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.125 . . . . 10.0 110.07 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.607 ' O ' ' CB ' ' A' ' 109' ' ' ASP . . . 147.53 113.98 0.78 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.513 1.133 . . . . 10.0 110.997 -179.966 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.607 ' CB ' ' O ' ' A' ' 108' ' ' GLY . 9.6 t70 90.58 -44.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 0.768 . . . . 10.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.458 ' CB ' ' HA ' ' A' ' 104' ' ' ILE . 75.8 m80 -155.77 52.42 0.57 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 10.0 109.604 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 61.6 p -46.78 115.66 1.12 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.43 1.081 . . . . 10.0 110.049 179.948 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.579 HD12 ' CD2' ' A' ' 20' ' ' PHE . 16.9 pt -84.19 -25.63 7.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 10.0 109.27 -179.963 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 48.2 mm -46.55 108.56 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 10.0 109.299 -179.963 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 113.72 16.29 8.15 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.539 1.149 . . . . 10.0 110.974 179.965 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.509 ' O ' HD22 ' A' ' 117' ' ' LEU . 4.4 mmt85 -97.32 66.23 2.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 0.744 . . . . 10.0 110.325 179.971 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.898 HG23 HG13 ' A' ' 118' ' ' VAL . 11.2 t -51.99 144.9 10.99 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.111 . . . . 10.0 110.425 -179.976 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.567 HD23 HD11 ' A' ' 149' ' ' ILE . 4.5 mm? -106.8 76.75 1.13 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 10.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.898 HG13 HG23 ' A' ' 116' ' ' THR . 1.2 m -92.91 175.11 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 10.0 109.344 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.616 HG11 ' CD1' ' A' ' 38' ' ' LEU . 34.8 m -123.24 121.5 63.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 10.0 109.258 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.595 ' CE1' ' O ' ' A' ' 121' ' ' GLU . 0.0 OUTLIER -84.12 113.39 21.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 10.0 109.609 179.964 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.595 ' O ' ' CE1' ' A' ' 120' ' ' HIS . 0.3 OUTLIER -35.95 121.6 0.66 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 10.0 110.324 179.957 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 120' ' ' HIS . 0.0 OUTLIER 72.44 152.11 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.554 1.159 . . . . 10.0 109.335 -179.96 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.525 ' HB2' ' C ' ' A' ' 42' ' ' LEU . . . -91.23 -178.24 5.1 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 10.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.568 ' HB2' ' CZ ' ' A' ' 45' ' ' PHE . 14.1 t0 -88.53 84.95 6.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 10.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . 0.461 ' CB ' ' CG ' ' A' ' 128' ' ' LYS . 0.3 OUTLIER -56.1 -20.43 17.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 10.0 109.252 -179.969 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 8.2 mt 59.13 20.5 8.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 10.0 109.283 179.989 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 161.03 94.55 0.1 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.545 1.153 . . . . 10.0 110.965 179.961 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.461 ' CG ' ' CB ' ' A' ' 125' ' ' ASP . 3.3 mtpm? -118.78 -75.66 0.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 0.75 . . . . 10.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -94.41 -31.86 7.69 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.504 1.127 . . . . 10.0 111.0 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -173.11 -131.03 1.32 Allowed Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.983 -0.847 . . . . 10.0 110.983 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . 0.489 ' O ' ' CG ' ' A' ' 132' ' ' GLU . 7.2 m-80 -139.42 101.59 4.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 0.744 . . . . 10.0 109.252 -179.97 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.489 ' CG ' ' O ' ' A' ' 131' ' ' ASN . 3.9 mt-10 164.5 -29.09 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 10.0 110.326 179.986 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . 0.496 ' CB ' ' OD1' ' A' ' 139' ' ' ASN . 0.1 OUTLIER -95.01 -53.77 3.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 10.0 110.292 179.968 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 26.1 p -81.74 -20.65 38.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 10.0 109.976 -179.992 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . 0.424 ' OG1' ' CA ' ' A' ' 132' ' ' GLU . 1.8 p -58.09 -25.77 61.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 10.0 110.37 -179.942 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -109.94 -51.13 2.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 10.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 24.4 p -122.89 -123.07 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 10.0 110.394 179.971 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -140.98 42.1 1.21 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.498 1.124 . . . . 10.0 110.999 -179.993 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . 0.496 ' OD1' ' CB ' ' A' ' 133' ' ' GLN . 0.4 OUTLIER 40.87 37.81 0.57 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 0.745 . . . . 10.0 109.331 179.994 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.55 ' HB3' ' HE1' ' A' ' 120' ' ' HIS . . . -141.42 -56.26 0.48 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 10.0 109.294 179.971 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . 0.448 ' H ' ' CE1' ' A' ' 120' ' ' HIS . . . 36.01 65.46 0.49 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.534 1.146 . . . . 10.0 111.01 -179.963 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . 0.463 ' CB ' ' HB2' ' A' ' 121' ' ' GLU . 0.1 OUTLIER -126.96 86.56 2.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 0.764 . . . . 10.0 110.003 179.987 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . 0.458 ' O ' HD23 ' A' ' 144' ' ' LEU . 0.1 OUTLIER -52.11 177.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 10.0 110.312 179.979 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.717 HD22 ' OD2' ' A' ' 11' ' ' ASP . 87.6 mt -150.5 -72.94 0.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 10.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . 0.418 ' O ' ' HB ' ' A' ' 118' ' ' VAL . . . -106.7 175.71 5.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 10.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 146' ' ' CYS . . . . . 0.811 ' HA ' HG12 ' A' ' 118' ' ' VAL . 30.2 p -156.1 72.61 0.77 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 10.0 108.305 179.963 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -48.23 -53.36 15.63 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.471 1.107 . . . . 10.0 110.977 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.655 HG22 ' HB ' ' A' ' 116' ' ' THR . 37.5 t 65.32 127.83 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.529 0.782 . . . . 10.0 109.312 -179.962 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 149' ' ' ILE . . . . . 0.622 HD12 ' CE1' ' A' ' 20' ' ' PHE . 5.3 mm -68.55 144.1 14.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 10.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -155.29 108.64 0.37 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.474 1.109 . . . . 10.0 110.993 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . 0.979 HD12 HG22 ' A' ' 2' ' ' THR . 14.6 mm -44.89 148.15 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.455 0.738 . . . . 10.0 109.233 -179.959 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . 0.463 ' HB2' HG23 ' A' ' 5' ' ' VAL . . . -134.55 169.44 17.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 10.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 10.0 110.256 179.996 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.316 -0.624 . . . . 10.0 109.316 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.5 m -152.85 92.3 1.63 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 10.0 110.419 179.963 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.433 ' CG ' ' O ' ' A' ' 20' ' ' PHE . 8.1 ttmt -121.45 130.7 53.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 10.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.941 ' HB3' ' HB2' ' A' ' 20' ' ' PHE . . . -100.52 159.23 15.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.092 . . . . 10.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.423 HG23 ' HB3' ' A' ' 152' ' ' ALA . 2.0 t -140.75 154.03 21.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 10.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.687 ' HB1' ' O ' ' A' ' 147' ' ' GLY . . . -152.7 91.48 1.56 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 10.0 109.322 -179.981 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.492 HG23 ' CD1' ' A' ' 17' ' ' ILE . 4.5 p -81.61 91.18 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 10.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.604 HD22 ' HA3' ' A' ' 147' ' ' GLY . 0.5 OUTLIER -39.07 126.37 1.62 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 10.0 109.296 179.991 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 10' ' ' GLY . 0.9 OUTLIER -78.98 -37.34 39.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 10.0 109.293 179.992 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.478 ' CA ' ' HB ' ' A' ' 14' ' ' VAL . . . 59.55 123.13 0.01 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.526 1.141 . . . . 10.0 110.993 179.975 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 10' ' ' GLY . 16.3 t0 -38.02 -31.38 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 0.783 . . . . 10.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -170.06 -63.71 0.04 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.493 1.121 . . . . 10.0 111.022 179.953 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.427 ' O ' ' C ' ' A' ' 14' ' ' VAL . 18.5 Cg_endo -74.94 -58.98 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.52 1.8 . . . . 10.0 111.021 179.97 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.478 ' HB ' ' CA ' ' A' ' 10' ' ' GLY . 36.4 t -37.15 142.27 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.117 . . . . 10.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -169.0 42.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 10.0 110.302 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.473 ' N ' ' HB2' ' A' ' 8' ' ' LEU . . . -59.5 169.48 6.61 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.475 1.109 . . . . 10.0 110.984 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.492 ' CD1' HG23 ' A' ' 7' ' ' VAL . 21.4 mm -141.63 98.29 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.432 0.725 . . . . 10.0 109.3 -179.957 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.828 HD12 ' H ' ' A' ' 19' ' ' ASN . 0.4 OUTLIER -114.15 138.84 42.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 10.0 109.308 179.982 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.828 ' H ' HD12 ' A' ' 18' ' ' ILE . 0.1 OUTLIER -141.34 149.52 41.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 10.0 109.297 -179.972 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.941 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 6.8 m-30 -108.75 138.2 45.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 10.0 110.99 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.502 ' HB2' ' CH2' ' A' ' 32' ' ' TRP . 8.9 tp10 -119.68 130.46 55.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 10.0 110.288 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.442 ' HG3' HG22 ' A' ' 29' ' ' VAL . 2.8 tt0 -147.84 65.72 1.11 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 10.0 110.335 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.5 mttt -75.94 57.49 1.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 10.0 109.266 -179.931 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.495 ' O ' ' CB ' ' A' ' 25' ' ' SER . 1.5 mm-40 -155.2 -44.88 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.152 . . . . 10.0 110.306 -179.982 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 0.4 OUTLIER 85.41 -11.52 0.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 10.0 109.98 179.964 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -157.75 25.94 0.28 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 10.0 109.339 179.981 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -122.27 -152.88 8.73 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.473 1.108 . . . . 10.0 110.967 -179.978 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 146.86 33.13 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.466 1.771 . . . . 10.0 110.947 -179.969 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.537 HG12 HG23 ' A' ' 31' ' ' VAL . 28.8 t -106.92 87.9 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 10.0 109.271 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.497 ' O ' ' CZ3' ' A' ' 32' ' ' TRP . 18.0 mttt -63.96 93.0 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 10.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.864 HG22 ' CD1' ' A' ' 20' ' ' PHE . 21.8 t -96.25 137.57 23.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 10.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.502 ' CH2' ' HB2' ' A' ' 21' ' ' GLU . 26.4 p90 -160.2 145.45 14.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 10.0 107.987 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.435 ' O ' ' HA ' ' A' ' 96' ' ' ASP . . . -157.99 -173.49 26.48 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.456 1.097 . . . . 10.0 110.966 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.5 t -156.92 123.45 5.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 0.771 . . . . 10.0 110.009 179.965 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.642 HG21 ' CE1' ' A' ' 43' ' ' HIS . 0.0 OUTLIER -84.45 163.57 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.16 . . . . 10.0 109.326 179.968 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.52 ' CG ' ' O ' ' A' ' 35' ' ' ILE . 62.3 mttt -157.44 108.18 2.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.575 1.172 . . . . 10.0 109.26 179.976 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.445 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 144.43 -51.08 0.64 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.492 1.12 . . . . 10.0 111.003 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.96 HD22 ' CE1' ' A' ' 43' ' ' HIS . 1.8 mp -53.46 -170.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 0.769 . . . . 10.0 109.278 -179.957 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 40' ' ' GLU . 39.0 p -136.3 145.62 45.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.09 . . . . 10.0 110.396 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.675 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 10.0 pt-20 -37.76 128.03 1.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 10.0 110.283 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.423 ' O ' ' HA ' ' A' ' 88' ' ' THR . . . 151.45 -128.93 2.7 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.499 1.124 . . . . 10.0 111.012 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.476 HD22 ' HB1' ' A' ' 123' ' ' ALA . 1.6 mp -96.42 177.29 5.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 0.759 . . . . 10.0 109.276 -179.954 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.96 ' CE1' HD22 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -153.33 113.96 4.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 10.0 109.619 179.954 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.506 ' N ' ' CE1' ' A' ' 120' ' ' HIS . . . -62.2 101.28 0.36 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.469 1.106 . . . . 10.0 110.976 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.411 ' O ' ' OD1' ' A' ' 83' ' ' ASP . 30.9 t80 -81.68 61.72 5.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 0.76 . . . . 10.0 110.999 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.464 ' O ' HG23 ' A' ' 47' ' ' VAL . 22.3 m170 -60.48 174.91 0.5 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.15 . . . . 10.0 109.548 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.708 ' O ' HG12 ' A' ' 47' ' ' VAL . 47.7 t -154.25 60.29 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 10.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.646 ' ND1' HG22 ' A' ' 116' ' ' THR . 0.1 OUTLIER 74.22 168.82 0.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 10.0 109.604 179.99 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.608 ' HA ' ' CD1' ' A' ' 64' ' ' PHE . 5.4 pt-20 -162.06 179.34 8.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 10.0 110.344 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -65.21 151.61 45.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 10.0 110.288 -179.989 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 82.1 mt-10 -131.96 -72.01 0.54 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 10.0 110.248 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.498 ' O ' ' CB ' ' A' ' 53' ' ' ASN . 6.4 t0 73.42 45.33 0.27 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 10.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.498 ' CB ' ' O ' ' A' ' 52' ' ' ASP . 1.7 t-20 82.06 42.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 10.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -97.8 -39.22 9.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 10.0 110.407 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 64.03 115.27 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 10.0 109.276 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -115.09 -42.47 0.77 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.491 1.119 . . . . 10.0 111.004 179.987 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 1.437 ' SG ' ' SG ' ' A' ' 146' ' ' CYS . 1.8 m -153.8 -54.59 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.312 -0.995 . . . . 10.0 108.312 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 37.5 p -134.27 -49.75 0.8 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 10.0 110.423 179.985 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.7 m 65.65 93.15 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 10.0 110.004 179.981 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -125.37 -64.23 1.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 10.0 109.314 -179.97 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -143.01 89.22 0.17 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.462 1.101 . . . . 10.0 111.015 179.991 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 137.11 21.46 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.465 1.771 . . . . 10.0 111.004 179.989 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -85.33 -70.72 0.57 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 10.0 109.599 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.608 ' CD1' ' HA ' ' A' ' 49' ' ' GLU . 6.1 t80 50.77 177.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 10.0 111.017 -179.981 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.504 ' HA ' ' CG1' ' A' ' 81' ' ' VAL . 8.0 p-10 -111.86 105.38 56.53 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.117 . . . . 10.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.675 ' HD2' HG11 ' A' ' 81' ' ' VAL . 18.3 Cg_endo -75.0 -18.2 18.92 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.563 1.823 . . . . 10.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.629 HD11 ' HG2' ' A' ' 69' ' ' ARG . 0.1 OUTLIER -94.43 -29.77 14.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 10.0 109.283 -179.995 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.435 ' C ' ' N ' ' A' ' 70' ' ' LYS . 90.3 p 53.07 63.92 2.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 10.0 110.036 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.629 ' HG2' HD11 ' A' ' 67' ' ' LEU . 0.6 OUTLIER -42.45 -26.15 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 10.0 110.329 179.992 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.49 ' O ' ' C ' ' A' ' 71' ' ' HIS . 18.5 mtmt 54.94 -174.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 10.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.49 ' C ' ' O ' ' A' ' 70' ' ' LYS . 1.8 p-80 -32.65 138.4 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.138 . . . . 10.0 109.613 -179.96 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -163.51 -51.33 0.02 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.472 1.107 . . . . 10.0 111.002 -179.944 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 177.91 -123.14 0.86 Allowed Glycine 0 CA--C 1.53 1.031 0 N-CA-C 111.017 -0.833 . . . . 10.0 111.017 179.967 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.519 ' O ' HD22 ' A' ' 126' ' ' LEU . 18.3 Cg_endo -75.02 -72.1 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.481 1.779 . . . . 10.0 111.001 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.487 ' CB ' ' O ' ' A' ' 84' ' ' LEU . 0.0 OUTLIER -98.33 11.85 36.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 10.0 109.304 179.989 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.415 ' O ' ' O ' ' A' ' 70' ' ' LYS . 3.6 m-20 -116.76 10.88 14.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 10.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.511 ' O ' ' CB ' ' A' ' 78' ' ' GLU . 0.5 OUTLIER -88.33 5.71 40.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 10.0 110.295 179.99 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.511 ' CB ' ' O ' ' A' ' 77' ' ' GLU . 15.2 tt0 159.52 147.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 10.0 110.271 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.461 ' C ' ' O ' ' A' ' 78' ' ' GLU . 38.4 mtt180 34.31 77.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 10.0 110.339 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.522 ' CG ' ' HD2' ' A' ' 69' ' ' ARG . 0.1 OUTLIER -95.74 -21.77 17.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 10.0 109.606 -179.971 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.675 HG11 ' HD2' ' A' ' 66' ' ' PRO . 13.3 p -88.41 0.77 7.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.426 1.078 . . . . 10.0 109.33 179.964 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -142.64 -83.75 0.07 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.422 1.076 . . . . 10.0 111.028 179.978 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.484 ' OD1' ' N ' ' A' ' 84' ' ' LEU . 17.5 t0 -48.85 159.48 0.24 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 0.741 . . . . 10.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.487 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 0.3 OUTLIER -107.88 -75.01 0.64 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 10.0 109.34 -179.994 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -155.23 -114.96 0.52 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.53 1.143 . . . . 10.0 110.982 -179.993 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.429 ' N ' ' OD1' ' A' ' 86' ' ' ASN . 0.6 OUTLIER -146.26 157.7 43.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 0.735 . . . . 10.0 109.273 -179.964 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.588 HG12 ' H ' ' A' ' 88' ' ' THR . 9.8 t -111.22 173.17 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.095 . . . . 10.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.588 ' H ' HG12 ' A' ' 87' ' ' VAL . 1.6 m -120.04 137.2 54.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 10.0 110.439 179.953 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.675 ' HB3' ' HA ' ' A' ' 40' ' ' GLU . . . -86.94 175.82 7.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 10.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.454 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 14.2 t0 -82.55 -98.0 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 10.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.454 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 22.2 pttt -137.63 10.37 2.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 10.0 109.32 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -153.29 23.14 0.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 10.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.489 ' C ' ' HB1' ' A' ' 89' ' ' ALA . . . 93.21 -35.54 4.07 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.52 1.137 . . . . 10.0 111.007 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.518 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 20.4 t -39.89 104.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.476 0.75 . . . . 10.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -111.24 119.09 37.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 10.0 109.275 179.995 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.435 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 6.7 p-10 -112.08 149.58 31.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 10.0 109.311 179.962 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.421 HG13 ' N ' ' A' ' 98' ' ' SER . 0.8 OUTLIER -125.46 161.78 29.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 10.0 109.309 -179.973 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.421 ' N ' HG13 ' A' ' 97' ' ' VAL . 29.9 p -169.7 93.91 0.26 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 10.0 109.99 -179.982 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.42 HG22 ' OD1' ' A' ' 101' ' ' ASP . 1.3 mp -125.36 150.43 30.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 10.0 109.32 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.473 ' CG ' ' HG2' ' A' ' 30' ' ' LYS . 0.2 OUTLIER -124.96 86.42 2.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 10.0 110.291 -179.987 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.42 ' OD1' HG22 ' A' ' 99' ' ' ILE . 36.2 m-20 -105.7 144.71 32.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 10.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 89.1 p -118.78 -43.26 2.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 10.0 110.021 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 25.1 t -43.8 -48.49 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 10.0 109.313 179.951 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.763 HD12 ' C ' ' A' ' 104' ' ' ILE . 1.7 pp -63.55 177.23 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 10.0 109.255 -179.953 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.43 167.24 23.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 10.0 110.04 180.0 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 1.037 HD23 HD11 ' A' ' 113' ' ' ILE . 9.1 mp -95.06 -34.19 12.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 10.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -144.57 78.59 1.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 10.0 109.993 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -156.58 -105.06 0.22 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.552 1.157 . . . . 10.0 111.026 -179.99 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -109.15 -25.67 10.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 0.782 . . . . 10.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.752 ' CD2' HG22 ' A' ' 104' ' ' ILE . 15.7 m80 -94.21 -55.99 3.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 10.0 109.613 -179.988 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 31.1 t 43.03 78.48 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 10.0 110.006 179.957 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -85.64 5.33 2.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 10.0 109.281 -179.948 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 1.037 HD11 HD23 ' A' ' 106' ' ' LEU . 7.5 mm -57.58 122.01 6.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 10.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.442 ' O ' ' ND1' ' A' ' 48' ' ' HIS . . . 104.01 27.95 6.07 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.499 1.124 . . . . 10.0 110.994 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -85.78 60.51 6.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 0.772 . . . . 10.0 110.302 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.677 ' HB ' HG22 ' A' ' 148' ' ' VAL . 9.1 t -57.17 119.85 7.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 10.0 110.394 -179.96 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.462 ' CD2' HG13 ' A' ' 119' ' ' VAL . 1.4 tp -88.46 99.11 12.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 10.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 1.024 HG12 ' O ' ' A' ' 145' ' ' ALA . 12.3 m -102.14 65.52 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 10.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.462 HG13 ' CD2' ' A' ' 117' ' ' LEU . 17.2 m -49.47 152.85 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 10.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.722 ' HD2' ' HB1' ' A' ' 140' ' ' ALA . 0.3 OUTLIER -97.29 164.86 12.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 10.0 109.629 179.978 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -90.26 43.34 1.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 10.0 110.273 -179.97 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.54 ' O ' ' CE1' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -171.31 -165.11 0.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 10.0 109.315 179.992 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.476 ' HB1' HD22 ' A' ' 42' ' ' LEU . . . -111.87 -179.43 3.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 10.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.404 ' HA ' ' O ' ' A' ' 138' ' ' GLY . 0.3 OUTLIER -127.96 96.24 4.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 10.0 109.319 180.0 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.49 -9.82 58.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 10.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.519 HD22 ' O ' ' A' ' 74' ' ' PRO . 9.0 mt 43.88 46.98 6.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 10.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -136.63 -130.52 2.9 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.514 1.134 . . . . 10.0 110.991 -179.963 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 130' ' ' GLY . 2.8 mtmt -129.73 -84.09 0.55 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 0.769 . . . . 10.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 67.47 -58.17 0.3 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.519 1.137 . . . . 10.0 111.007 -179.99 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 128' ' ' LYS . . . -107.68 -149.87 15.48 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.996 -0.842 . . . . 10.0 110.996 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 -155.86 132.79 10.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 0.757 . . . . 10.0 109.335 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 76.92 18.06 1.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 10.0 110.292 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . 0.448 ' O ' ' HG3' ' A' ' 136' ' ' LYS . 0.0 OUTLIER -141.39 -68.29 0.39 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 10.0 110.357 179.99 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . 0.444 ' CB ' ' O ' ' A' ' 128' ' ' LYS . 0.9 OUTLIER -75.96 -14.36 60.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 10.0 110.006 179.993 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 75.8 p -79.76 -19.63 48.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 10.0 110.395 179.978 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' A' ' 133' ' ' GLN . 3.8 ptpt -112.26 -24.05 10.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.097 . . . . 10.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . 0.564 ' OG1' ' N ' ' A' ' 138' ' ' GLY . 31.0 p -121.97 -86.92 0.65 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 10.0 110.413 179.966 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . 0.564 ' N ' ' OG1' ' A' ' 137' ' ' THR . . . 146.91 44.14 0.04 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.484 1.115 . . . . 10.0 111.0 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 2.3 t30 69.83 12.1 7.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 0.795 . . . . 10.0 109.351 -179.957 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.722 ' HB1' ' HD2' ' A' ' 120' ' ' HIS . . . -41.84 -72.9 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 10.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 140.35 -115.04 1.02 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.545 1.153 . . . . 10.0 110.996 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.51 137.97 40.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 0.769 . . . . 10.0 109.998 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . 0.431 ' HG2' ' N ' ' A' ' 144' ' ' LEU . 2.6 ttp180 -67.95 135.57 52.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 10.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.431 ' N ' ' HG2' ' A' ' 143' ' ' ARG . 3.4 pp -153.09 171.89 17.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 10.0 109.302 -179.942 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . 1.024 ' O ' HG12 ' A' ' 118' ' ' VAL . . . 63.84 163.19 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 10.0 109.325 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 146' ' ' CYS . . . . . 1.437 ' SG ' ' SG ' ' A' ' 57' ' ' CYS . 28.6 p -156.02 69.98 0.67 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 10.0 108.341 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . 0.687 ' O ' ' HB1' ' A' ' 6' ' ' ALA . . . -83.27 55.71 5.04 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.556 1.16 . . . . 10.0 110.98 -179.973 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.677 HG22 ' HB ' ' A' ' 116' ' ' THR . 69.6 t -53.12 129.02 13.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 0.763 . . . . 10.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 149' ' ' ILE . . . . . 0.546 HD13 ' HB2' ' A' ' 6' ' ' ALA . 19.4 mm -83.58 107.52 15.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 10.0 109.261 -179.96 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -130.24 136.89 9.15 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.489 1.118 . . . . 10.0 111.028 179.99 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . 0.439 HD13 ' HA ' ' A' ' 151' ' ' ILE . 25.1 mm -51.86 146.02 2.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.552 0.795 . . . . 10.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . 0.423 ' HB3' HG23 ' A' ' 5' ' ' VAL . . . -139.28 173.33 11.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 10.0 109.289 -179.941 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.167 . . . . 10.0 110.281 -179.986 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.292 -0.633 . . . . 10.0 109.292 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.574 HG23 ' CD1' ' A' ' 151' ' ' ILE . 0.5 OUTLIER -139.09 112.63 8.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 10.0 110.421 179.975 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.9 tmmt? -102.34 106.12 16.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 10.0 109.288 179.994 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.962 ' HB3' ' HB2' ' A' ' 20' ' ' PHE . . . -84.18 175.23 9.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.123 . . . . 10.0 109.315 179.949 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.2 t -143.71 156.83 16.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 10.0 109.278 -180.0 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.845 ' HB3' HG13 ' A' ' 18' ' ' ILE . . . -153.02 93.7 1.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 10.0 109.336 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.752 HG23 HG12 ' A' ' 17' ' ' ILE . 8.2 p -82.39 91.92 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 10.0 109.297 -179.957 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.525 HD13 ' H ' ' A' ' 147' ' ' GLY . 2.2 mm? -39.57 126.45 1.86 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 10.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.29 -63.28 1.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 10.0 109.305 179.97 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 65.0 114.79 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.424 1.077 . . . . 10.0 111.013 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -50.07 -22.28 1.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 0.785 . . . . 10.0 109.332 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.498 ' N ' ' CD ' ' A' ' 13' ' ' PRO . . . 164.56 -50.99 0.29 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.48 1.113 . . . . 10.0 111.02 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.498 ' CD ' ' N ' ' A' ' 12' ' ' GLY . 18.3 Cg_endo -75.0 8.29 2.48 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.467 1.772 . . . . 10.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.2 t -138.14 151.3 25.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 10.0 109.311 -179.98 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.08 42.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 10.0 110.269 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.5 ' CA ' ' HA ' ' A' ' 35' ' ' ILE . . . -69.29 168.03 45.93 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.47 1.106 . . . . 10.0 111.043 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.752 HG12 HG23 ' A' ' 7' ' ' VAL . 57.6 mt -142.33 107.87 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.524 0.779 . . . . 10.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.845 HG13 ' HB3' ' A' ' 6' ' ' ALA . 0.7 OUTLIER -97.27 160.15 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 10.0 109.307 179.983 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.645 ' N ' HD12 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -142.69 121.44 12.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 10.0 109.281 179.994 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.962 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 1.9 m-30 -95.82 102.41 14.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 10.0 110.99 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -108.14 119.58 39.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 10.0 110.292 -179.984 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -117.11 79.39 1.33 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 10.0 110.285 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.2 mttm -74.07 60.24 0.77 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 10.0 109.265 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.498 ' O ' ' CB ' ' A' ' 25' ' ' SER . 0.0 OUTLIER -154.86 -54.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 10.0 110.287 179.97 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 2.6 t 84.92 -9.87 0.84 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 10.0 109.994 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -157.33 25.95 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 10.0 109.333 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -133.64 -150.47 6.29 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.489 1.118 . . . . 10.0 110.987 -179.997 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.5 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 18.2 Cg_endo -75.03 170.49 20.3 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.481 1.78 . . . . 10.0 110.971 -179.964 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 27.7 t -115.75 119.19 61.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 10.0 109.333 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.9 mttm -74.37 93.44 2.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 10.0 109.316 179.977 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.761 HG22 ' CE1' ' A' ' 20' ' ' PHE . 40.8 t -84.65 133.31 29.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 10.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.472 ' CD1' ' N ' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -167.03 162.68 15.65 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.015 -1.106 . . . . 10.0 108.015 -179.992 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.472 ' N ' ' CD1' ' A' ' 32' ' ' TRP . . . 173.86 -164.61 36.09 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.523 1.139 . . . . 10.0 111.002 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -155.87 121.93 5.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 0.743 . . . . 10.0 110.066 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.942 HG21 HD13 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -83.54 165.14 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 10.0 109.323 -179.971 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.489 ' N ' HG23 ' A' ' 35' ' ' ILE . 36.5 mttt -152.02 118.5 5.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 10.0 109.265 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.466 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . 124.95 -38.98 2.19 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.525 1.141 . . . . 10.0 111.019 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.942 HD13 HG21 ' A' ' 35' ' ' ILE . 0.2 OUTLIER -52.8 -169.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 0.77 . . . . 10.0 109.295 179.995 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 27.6 p -137.32 149.91 47.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 10.0 110.401 179.965 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.837 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 0.2 OUTLIER -51.33 112.25 0.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 10.0 110.275 179.999 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.446 ' O ' ' NE2' ' A' ' 43' ' ' HIS . . . 160.17 167.67 21.06 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.492 1.12 . . . . 10.0 111.044 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.3 mt -71.44 151.42 44.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.445 0.732 . . . . 10.0 109.326 -179.992 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.549 ' HE1' ' HB2' ' A' ' 89' ' ' ALA . 5.5 m80 -138.01 168.96 18.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 10.0 109.551 -179.938 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.481 ' CA ' ' HB2' ' A' ' 120' ' ' HIS . . . -83.43 -172.65 49.0 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.554 1.159 . . . . 10.0 111.023 179.958 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.807 ' CE1' ' CE1' ' A' ' 80' ' ' HIS . 26.2 m-85 -78.51 173.66 12.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 0.778 . . . . 10.0 111.01 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.609 ' CE1' HD12 ' A' ' 117' ' ' LEU . 0.5 OUTLIER -145.78 66.63 1.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 10.0 109.593 -179.999 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 43.0 t -123.65 113.51 37.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 10.0 109.266 -179.994 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.547 ' ND1' ' CG1' ' A' ' 118' ' ' VAL . 17.9 m80 -142.06 60.26 1.46 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 10.0 109.627 179.955 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -40.19 97.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 10.0 110.297 -179.966 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 48' ' ' HIS . 4.0 tm-20 -159.54 137.48 10.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 10.0 110.273 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -132.02 -60.85 0.9 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 10.0 110.311 179.977 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 66.17 177.37 0.22 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 10.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -99.03 -7.52 26.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 10.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.605 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 12.2 t -112.44 -50.56 2.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 10.0 110.366 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.605 ' HB3' ' O ' ' A' ' 54' ' ' THR . . . 78.28 117.94 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 10.0 109.318 -179.977 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -172.97 43.37 0.16 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.496 1.123 . . . . 10.0 110.995 179.978 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 1.017 ' SG ' ' SG ' ' A' ' 146' ' ' CYS . 0.1 OUTLIER 47.77 72.03 0.29 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.3 -1.0 . . . . 10.0 108.3 179.999 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 10.5 p -128.77 -143.19 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 10.0 110.383 -179.994 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 61' ' ' GLY . 55.4 m -114.76 -64.39 1.32 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 10.0 109.994 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' A' ' 59' ' ' SER . . . 66.57 -72.76 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 10.0 109.29 179.975 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 59' ' ' SER . . . -147.37 97.01 0.18 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.488 1.118 . . . . 10.0 110.945 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 116.36 4.56 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.493 1.786 . . . . 10.0 110.996 179.979 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 8.3 m80 -112.0 -66.55 1.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 10.0 109.641 179.993 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 51.09 -166.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 10.0 111.026 179.964 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -84.5 120.77 74.64 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 10.0 109.356 179.971 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 85.74 1.5 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.543 1.812 . . . . 10.0 111.017 -179.992 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.518 HD13 ' HD3' ' A' ' 79' ' ' ARG . 1.0 OUTLIER -176.62 -51.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 10.0 109.283 179.964 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.486 ' O ' ' HB2' ' A' ' 69' ' ' ARG . 2.2 t 39.06 -96.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 10.0 110.037 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.486 ' HB2' ' O ' ' A' ' 68' ' ' SER . 5.7 mmt180 68.65 -65.36 0.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 10.0 110.295 180.0 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 68' ' ' SER . 0.8 OUTLIER -175.49 165.57 3.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.102 . . . . 10.0 109.307 179.988 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.597 ' CG ' ' N ' ' A' ' 72' ' ' GLY . 8.9 t60 -87.69 171.1 10.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 10.0 109.587 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.597 ' N ' ' CG ' ' A' ' 71' ' ' HIS . . . -154.43 -86.24 0.05 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.463 1.102 . . . . 10.0 110.985 -179.973 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -151.49 -116.03 0.7 Allowed Glycine 0 CA--C 1.531 1.051 0 N-CA-C 110.96 -0.856 . . . . 10.0 110.96 -179.979 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.532 ' O ' ' C ' ' A' ' 75' ' ' LYS . 18.2 Cg_endo -74.97 46.66 1.57 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.522 1.801 . . . . 10.0 110.977 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.532 ' C ' ' O ' ' A' ' 74' ' ' PRO . 0.0 OUTLIER 29.4 62.02 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 10.0 109.312 179.994 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -95.91 -65.12 0.99 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 10.0 109.324 179.975 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -112.37 9.83 19.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 10.0 110.27 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.434 ' HG3' ' N ' ' A' ' 72' ' ' GLY . 14.4 pm0 -124.54 178.47 5.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 10.0 110.274 -179.973 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.518 ' HD3' HD13 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -147.39 108.98 4.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 10.0 110.243 179.989 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.807 ' CE1' ' CE1' ' A' ' 45' ' ' PHE . 6.7 p80 -84.48 47.67 1.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 10.0 109.565 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.673 HG22 ' O ' ' A' ' 81' ' ' VAL . 5.2 p 40.54 34.49 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 10.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.482 ' O ' ' C ' ' A' ' 83' ' ' ASP . . . 171.19 40.87 0.03 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.53 1.144 . . . . 10.0 110.999 180.0 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.482 ' C ' ' O ' ' A' ' 82' ' ' GLY . 1.1 m-20 -34.51 127.9 0.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 0.793 . . . . 10.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.3 tt -173.39 -50.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 10.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 118.43 163.53 12.63 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.499 1.124 . . . . 10.0 111.018 -179.997 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -85.24 130.08 34.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 0.729 . . . . 10.0 109.266 -179.939 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 16.4 m -98.53 144.46 11.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 10.0 109.28 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 59.9 m -123.94 152.77 42.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.095 . . . . 10.0 110.434 179.989 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.837 ' HB3' ' HA ' ' A' ' 40' ' ' GLU . . . -84.92 163.03 19.22 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.546 1.154 . . . . 10.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.435 ' CG ' ' N ' ' A' ' 91' ' ' LYS . 11.0 t0 -79.03 -96.14 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 10.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.435 ' N ' ' CG ' ' A' ' 90' ' ' ASP . 2.6 pttt -136.2 9.32 3.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 10.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -153.81 24.83 0.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 10.0 109.318 -179.975 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.603 ' CA ' ' HB1' ' A' ' 89' ' ' ALA . . . 91.32 -35.39 3.95 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.524 1.14 . . . . 10.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.482 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 21.5 t -39.76 98.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.487 0.757 . . . . 10.0 109.276 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.463 ' HB3' ' HB ' ' A' ' 35' ' ' ILE . . . -104.18 115.29 30.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 10.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -107.84 143.63 36.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 10.0 109.323 -179.997 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.552 ' CG1' HD12 ' A' ' 99' ' ' ILE . 38.6 t -115.34 164.58 11.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 10.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.462 ' N ' HG12 ' A' ' 97' ' ' VAL . 31.2 t -173.07 86.34 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 10.0 109.994 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.552 HD12 ' CG1' ' A' ' 97' ' ' VAL . 3.7 mt -133.21 166.35 29.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 10.0 109.262 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.521 ' N ' HG22 ' A' ' 99' ' ' ILE . 35.9 tt0 -134.7 98.24 4.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 10.0 110.271 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.5 ' O ' ' CB ' ' A' ' 28' ' ' PRO . 1.1 t70 -92.28 142.64 27.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 10.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 45.2 p -119.5 -41.66 2.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 10.0 109.964 -179.994 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 40.5 t -48.38 -24.33 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 10.0 109.327 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.997 HD13 HD13 ' A' ' 112' ' ' ILE . 1.9 pp -114.66 156.89 15.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 10.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 10.7 t -148.88 160.44 43.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 10.0 109.996 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.563 HD22 HD11 ' A' ' 113' ' ' ILE . 3.0 mt -68.07 -24.19 65.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 10.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -136.88 175.07 9.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 10.0 110.017 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 101.47 -142.4 15.69 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.547 1.154 . . . . 10.0 110.98 179.992 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -94.0 30.49 1.85 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 0.794 . . . . 10.0 109.257 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 70.1 m80 -131.5 -61.37 0.91 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.138 . . . . 10.0 109.588 179.969 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 15.1 t 52.56 84.96 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 10.0 110.005 179.986 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.997 HD13 HD13 ' A' ' 104' ' ' ILE . 12.7 pt -92.47 -4.46 10.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 10.0 109.341 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.563 HD11 HD22 ' A' ' 106' ' ' LEU . 18.4 mm -62.13 101.97 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 10.0 109.255 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 127.31 39.09 0.39 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.495 1.122 . . . . 10.0 110.989 179.983 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.608 ' O ' HD23 ' A' ' 117' ' ' LEU . 5.5 mtp180 -84.61 101.89 12.49 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.526 0.78 . . . . 10.0 110.301 179.996 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.654 HG23 ' HB3' ' A' ' 146' ' ' CYS . 93.9 m -71.16 62.78 0.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 10.0 110.373 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.609 HD12 ' CE1' ' A' ' 46' ' ' HIS . 0.7 OUTLIER -41.77 111.62 0.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.158 . . . . 10.0 109.311 179.962 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.547 ' CG1' ' ND1' ' A' ' 48' ' ' HIS . 2.8 p -128.24 105.03 12.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 10.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.636 HG11 HD11 ' A' ' 38' ' ' LEU . 20.8 t -56.54 147.71 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 10.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.481 ' HB2' ' CA ' ' A' ' 44' ' ' GLY . 0.5 OUTLIER -85.01 140.59 30.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 10.0 109.546 -179.936 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.7 -49.9 67.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.099 . . . . 10.0 110.293 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -124.4 -163.65 1.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 10.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -107.24 152.08 24.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 10.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -75.72 -4.52 40.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 10.0 109.296 180.0 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 13.2 t0 55.4 31.14 16.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 10.0 109.256 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 9.1 mt 53.61 20.52 2.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 10.0 109.291 179.982 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 100.18 119.96 4.44 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.533 1.146 . . . . 10.0 111.043 -179.94 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.35 -24.23 15.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 0.781 . . . . 10.0 109.347 179.983 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 89.63 38.36 6.61 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 10.0 110.981 179.973 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -83.05 -146.21 6.37 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.063 -0.815 . . . . 10.0 111.063 179.966 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 65.4 m-80 -151.06 134.5 16.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 0.751 . . . . 10.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 51.19 22.62 1.37 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.561 1.163 . . . . 10.0 110.311 179.989 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -138.09 -72.12 0.42 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 10.0 110.281 -180.0 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 10.8 m -78.67 -26.14 44.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 10.0 110.004 -179.986 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 71.6 p -72.48 -6.28 42.65 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.478 1.111 . . . . 10.0 110.384 -179.982 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 16.8 mtmt -120.09 -43.62 2.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 10.0 109.301 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 41.7 p -127.64 -92.37 0.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 10.0 110.377 -179.999 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 177.37 39.84 0.06 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.506 1.129 . . . . 10.0 110.995 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 44.84 34.94 1.31 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 0.771 . . . . 10.0 109.267 179.992 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -152.19 24.66 0.63 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 10.0 109.312 -179.979 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -83.51 94.75 1.82 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.472 1.108 . . . . 10.0 110.978 -179.979 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . 0.428 ' O ' HD23 ' A' ' 144' ' ' LEU . 0.6 OUTLIER -150.15 93.1 1.96 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 0.749 . . . . 10.0 110.044 179.952 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . 0.401 ' O ' ' O ' ' A' ' 142' ' ' SER . 0.5 OUTLIER -44.82 169.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 10.0 110.248 -179.941 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.602 HD11 ' HB ' ' A' ' 119' ' ' VAL . 0.4 OUTLIER -168.51 -58.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 10.0 109.302 179.978 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . 0.409 ' N ' HD12 ' A' ' 144' ' ' LEU . . . -107.1 168.57 9.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 10.0 109.339 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 146' ' ' CYS . . . . . 1.017 ' SG ' ' SG ' ' A' ' 57' ' ' CYS . 68.5 m -155.17 66.47 0.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 10.0 108.29 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . 0.525 ' H ' HD13 ' A' ' 8' ' ' LEU . . . -45.98 -51.81 10.58 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.49 1.119 . . . . 10.0 111.001 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.463 HG23 HG23 ' A' ' 116' ' ' THR . 2.8 t 66.09 136.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.55 0.794 . . . . 10.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 149' ' ' ILE . . . . . 0.472 ' CG1' ' HB2' ' A' ' 115' ' ' ARG . 5.0 mm -81.24 136.74 22.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 10.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -144.29 99.46 0.22 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.514 1.134 . . . . 10.0 111.003 179.97 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . 0.574 ' CD1' HG23 ' A' ' 2' ' ' THR . 17.2 mm -40.05 138.3 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.471 0.747 . . . . 10.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -126.57 175.25 8.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 10.0 109.312 179.978 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.145 . . . . 10.0 110.292 -179.986 . . . . . . . . 0 0 . 1 stop_ save_